A0A3Q0KSV6_SCHMA Loading...

Putative short chain dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KSV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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
1M46.6Very low88.7Confident220 Ų22056 Ų56100%1.08434%0.336SS*.  0131.90-71.6-68.9-176.100106.8S3M1-S3 PolarHBondContact O-N 3.27Å
2P66.2Low89.5Confident126 Ų12651.3 Ų51.382%0.81831%0.308SS*.  trans-58.5133.3168.524-28.6000108.7
3S87.2Confident90.2Very high21 Ų2147.5 Ų47.515%0.14729%0.285CS..  trans-69.2138.6178-69.40000110M1 A30 C280M1-S3 PolarHBondContact O-N 3.27Å; S3-A30 WeakPolarHBondContact O-CA 3.46Å; S3-A30 VanDerWaalsContact O-CB 3.28Å; S3-A30 WeakPolarHBondContact O-CB 3.36Å; S3-C280 WeakPolarHBondContact OG-CA 3.48Å; S3-C280 PolarHBondContact OG-N 3.02Å; S3-C280 PolarHBondContact OG-SG 3.39Å
4D94.3Very high90.7Very high99 Ų9945.5 Ų45.553%0.52928%0.279SS..  trans-108.7106.7175.717917.5000110.4S6 Q283D4-S6 WeakPolarHBondContact OD1-CB 3.4Å; D4-S6 PolarHBondContact OD1-N 3.11Å; D4-S6 PolarHBondContact OD1-OG 3.5Å; D4-Q283 PolarHBondContact O-NE2 3.27Å
5L96.3Very high91.1Very high0 Ų042.5 Ų42.50%026%0.26CS..  trans-104.523.3175.9-62-176.6000111.8G7 Y8 L27 A30 A32 I96 A279 A282L5-G7 PolarHBondContact O-N 3.5Å; L5-Y8 HydrophobicContact CB-CD2 4.1Å; L5-Y8 HydrophobicContact CB-CG 4.1Å; L5-Y8 HydrophobicContact CD2-CD1 3.95Å; L5-Y8 HydrophobicContact CD2-CD2 4.08Å; L5-Y8 HydrophobicContact CD2-CE1 4Å; L5-Y8 HydrophobicContact CD2-CE2 4.11Å; L5-Y8 HydrophobicContact CD2-CG 4Å; L5-Y8 VanDerWaalsContact O-CB 3.28Å; L5-Y8 WeakPolarHBondContact O-CB 3.43Å; L5-Y8 WeakPolarHBondContact O-CD2 3.45Å; L5-Y8 PolarHBondContact O-N 3.24Å; L5-L27 HydrophobicContact CD1-CD2 3.62Å; L5-A30 WeakPolarHBondContact CA-O 3.38Å; L5-A30 HydrophobicContact CB-CB 4.07Å; L5-A30 HydrophobicContact CD1-CB 3.91Å; L5-A30 HydrophobicContact CG-CB 3.83Å; L5-A30 PolarHBondContact N-O 2.93Å; L5-A32 HydrophobicContact CB-CB 3.85Å; L5-A32 HydrophobicContact CD1-CB 4.3Å; L5-A32 WeakPolarHBondContact O-CA 3.48Å; L5-I96 HydrophobicContact CD1-CD1 4.02Å; L5-I96 HydrophobicContact CD2-CD1 4.41Å; L5-A279 HydrophobicContact CD1-CB 3.68Å; L5-A279 HydrophobicContact CG-CB 4.16Å; L5-A282 HydrophobicContact CD2-CB 3.95Å
6S95.7Very high91.3Very high74 Ų7441.8 Ų41.852%0.51726%0.258SS..THydrogen-bonded Turntrans-52.9129.4173.5-63.40000110.9D4 Y8D4-S6 WeakPolarHBondContact OD1-CB 3.4Å; D4-S6 PolarHBondContact OD1-N 3.11Å; D4-S6 PolarHBondContact OD1-OG 3.5Å; S6-Y8 VanDerWaalsContact C-N 3.25Å; S6-Y8 PolarHBondContact O-N 3.29Å
7G94.9Very high91.3Very high46 Ų4644.7 Ų44.747%0.47426%0.263SS..THydrogen-bonded Turntrans77.8-3.2-17700000115.5L5 R93L5-G7 PolarHBondContact O-N 3.5Å; G7-R93 PolarHBondContact O-NE 3.36Å; G7-R93 PolarHBondContact O-NH1 2.97Å; G7-R93 PolarHBondContact O-NH2 3.34Å; G7-R93 VanDerWaalsContact O-NH2 3.11Å
8Y97.9Very high91.3Very high27 Ų2742.6 Ų42.611%0.10625%0.252CS..  trans-73.4141.5171.3-77.7-118.6000110.8L5 S6 T33 D95 I96 P185 A282L5-Y8 HydrophobicContact CB-CD2 4.1Å; L5-Y8 HydrophobicContact CB-CG 4.1Å; L5-Y8 HydrophobicContact CD2-CD1 3.95Å; L5-Y8 HydrophobicContact CD2-CD2 4.08Å; L5-Y8 HydrophobicContact CD2-CE1 4Å; L5-Y8 HydrophobicContact CD2-CE2 4.11Å; L5-Y8 HydrophobicContact CD2-CG 4Å; L5-Y8 VanDerWaalsContact O-CB 3.28Å; L5-Y8 WeakPolarHBondContact O-CB 3.43Å; L5-Y8 WeakPolarHBondContact O-CD2 3.45Å; L5-Y8 PolarHBondContact O-N 3.24Å; S6-Y8 VanDerWaalsContact C-N 3.25Å; S6-Y8 PolarHBondContact O-N 3.29Å; Y8-T33 PolarHBondContact O-N 3.11Å; Y8-D95 WeakPolarHBondContact CA-OD2 3.48Å; Y8-D95 HydrophobicContact CD1-CB 3.52Å; Y8-D95 HydrophobicContact CE1-CB 4.22Å; Y8-D95 HydrophobicContact CG-CB 4.21Å; Y8-I96 HydrophobicContact CD1-CD1 4.2Å; Y8-I96 HydrophobicContact CD1-CG1 4.23Å; Y8-P185 HydrophobicContact CE1-CB 4.28Å; Y8-P185 HydrophobicContact CE1-CG 3.82Å; Y8-P185 HydrophobicContact CE2-CG 4.41Å; Y8-P185 WeakPolarHBondContact OH-CB 3.45Å; Y8-A282 HydrophobicContact CE1-CB 4.31Å
9V98.6Very high91.5Very high3 Ų342.1 Ų42.12%0.01825%0.249CC..EExtended strand (participates in β ladder)trans-103.8115.7170.5179.50000109.3Y35 I86 Q90 R93 L94 D95 I96V9-Y35 HydrophobicContact CG1-CD2 4.35Å; V9-Y35 HydrophobicContact CG1-CE2 4.17Å; V9-I86 HydrophobicContact CG1-CG2 4.14Å; V9-Q90 HydrophobicContact CG1-CB 4.31Å; V9-Q90 HydrophobicContact CG1-CG 3.81Å; V9-Q90 HydrophobicContact CG2-CB 4.11Å; V9-Q90 HydrophobicContact CG2-CG 4.04Å; V9-R93 HydrophobicContact CB-CG 4.41Å; V9-R93 WeakPolarHBondContact CG1-O 3.32Å; V9-R93 HydrophobicContact CG2-CB 4.3Å; V9-R93 HydrophobicContact CG2-CG 4.05Å; V9-L94 HydrophobicContact CG1-CD1 4.42Å; V9-D95 PolarHBondContact N-OD2 2.9Å; V9-D95 PolarHBondContact O-N 3.22Å; V9-I96 PolarHBondContact O-N 3.04Å; V9-I96 VanDerWaalsContact O-N 3.15Å
10C98.8Very high91.8Very high0 Ų040.1 Ų40.10%024%0.238CC..EExtended strand (participates in β ladder)trans-117.2148.5-176-59.10000111.1L27 T33 V34 Y35 I96C10-L27 HydrophobicContact CB-CD1 4.18Å; C10-T33 PolarHBondContact N-O 3.49Å; C10-V34 HydrophobicContact CB-CG1 4.3Å; C10-V34 HydrophobicContact CB-CG2 4.29Å; C10-V34 CarbonylContact O-C 3.51Å; C10-V34 WeakPolarHBondContact O-CA 3.41Å; C10-Y35 PolarHBondContact O-N 3.34Å; C10-I96 CarbonylContact C-O 3.54Å; C10-I96 WeakPolarHBondContact CA-O 3.35Å; C10-I96 HydrophobicContact CB-CB 4.27Å
11V98.9Very high92Very high0 Ų039.2 Ų39.20%023%0.231CC..EExtended strand (participates in β ladder)trans-128.5132.7170.1-175.10000108.9T37 L82 I86 L94 I96 F97 V98V11-T37 HydrophobicContact CG1-CG2 4.47Å; V11-L82 HydrophobicContact CG1-CD2 4.39Å; V11-I86 HydrophobicContact CG2-CD1 3.5Å; V11-L94 HydrophobicContact CG2-CD1 3.62Å; V11-I96 PolarHBondContact N-O 2.76Å; V11-F97 HydrophobicContact CB-CD2 3.63Å; V11-F97 HydrophobicContact CB-CE2 3.89Å; V11-F97 HydrophobicContact CG1-CD2 4Å; V11-F97 HydrophobicContact CG1-CE2 3.69Å; V11-F97 HydrophobicContact CG2-CD2 4.13Å; V11-V98 PolarHBondContact O-N 3.36Å
12V98.9Very high94.3Very high0 Ų028.8 Ų28.80%018%0.18CC..EExtended strand (participates in β ladder)trans-123.1121.1173.3-174.50000109.5A15 G20 I23 A24 L27 V34 Y35 T37 V98V12-A15 HydrophobicContact CB-CB 4.19Å; V12-A15 HydrophobicContact CG1-CB 4.13Å; V12-G20 WeakPolarHBondContact CG1-O 3.46Å; V12-I23 HydrophobicContact CG1-CB 4.44Å; V12-I23 HydrophobicContact CG1-CG2 4.29Å; V12-I23 HydrophobicContact CG2-CG2 4.03Å; V12-A24 HydrophobicContact CB-CB 4.27Å; V12-A24 HydrophobicContact CG1-CB 4.43Å; V12-A24 HydrophobicContact CG2-CB 4.15Å; V12-L27 HydrophobicContact CG2-CD1 3.83Å; V12-V34 HydrophobicContact CG2-CG1 3.95Å; V12-Y35 PolarHBondContact N-O 3.15Å; V12-T37 PolarHBondContact O-N 3.34Å; V12-T37 VanDerWaalsContact O-N 3.13Å; V12-T37 PolarHBondContact O-OG1 3.15Å; V12-V98 HydrophobicContact CG1-CB 4.39Å; V12-V98 HydrophobicContact CG2-CB 4.27Å; V12-V98 HydrophobicContact CG2-CG2 4.25Å
13T98.7Very high95.9Very high1 Ų122.8 Ų22.81%0.00614%0.141CC..EExtended strand (participates in β ladder)trans-84.9137.4175.472.80000111.4T37 H73 F97 V98 N99 C100 A101T13-T37 VanDerWaalsContact CA-OG1 3.3Å; T13-T37 WeakPolarHBondContact CA-OG1 3.5Å; T13-H73 WeakPolarHBondContact CG2-CE1 3.32Å; T13-F97 HydrophobicContact CG2-CE2 4.31Å; T13-F97 HydrophobicContact CG2-CZ 3.74Å; T13-V98 PolarHBondContact N-O 3.04Å; T13-V98 PolarHBondContact OG1-O 3.38Å; T13-N99 WeakPolarHBondContact OG1-CA 3.49Å; T13-C100 CarbonylContact O-C 3.55Å; T13-C100 VanDerWaalsContact O-C 3.31Å; T13-C100 VanDerWaalsContact O-CB 3.26Å; T13-C100 WeakPolarHBondContact O-CB 3.26Å; T13-C100 PolarHBondContact OG1-N 2.87Å; T13-A101 PolarHBondContact O-N 3.2Å; T13-A101 VanDerWaalsContact O-N 3.09Å; T13-A101 WeakPolarHBondContact OG1-CB 3.33Å; T13-A101 PolarHBondContact OG1-N 3.43Å
14G96.8Very high96.4Very high20 Ų2021.8 Ų21.821%0.20613%0.134CC..THydrogen-bonded Turntrans69.639.8-176.400000113.6S16 G20 T37G14-S16 VanDerWaalsContact C-N 3.3Å; G14-S16 PolarHBondContact O-N 3.35Å; G14-G20 WeakPolarHBondContact O-CA 3.32Å; G14-T37 CarbonylContact C-O 3.52Å; G14-T37 WeakPolarHBondContact CA-O 3.36Å; G14-T37 PolarHBondContact N-O 3.38Å
15A97.5Very high96.5Very high0 Ų017.7 Ų17.70%011%0.112CC..THydrogen-bonded Turntrans-83.44.8-171.600000115V12 Q21 A24 L36 T37 L52 T55V12-A15 HydrophobicContact CB-CB 4.19Å; V12-A15 HydrophobicContact CG1-CB 4.13Å; A15-Q21 WeakPolarHBondContact O-CA 3.29Å; A15-A24 HydrophobicContact CB-CB 4.2Å; A15-L36 HydrophobicContact CB-CB 3.94Å; A15-L36 HydrophobicContact CB-CD2 4.03Å; A15-T37 PolarHBondContact N-O 3.11Å; A15-L52 HydrophobicContact CB-CD2 4.1Å; A15-T55 PolarHBondContact O-OG1 3.32Å
16S93.2Very high96.5Very high31 Ų3117.7 Ų17.722%0.21711%0.112CC..THydrogen-bonded Turntrans-76.6-28.1-175.659.30000114G14 V50G14-S16 VanDerWaalsContact C-N 3.3Å; G14-S16 PolarHBondContact O-N 3.35Å; S16-V50 CarbonylContact O-C 3.47Å; S16-V50 VanDerWaalsContact O-CG1 3.31Å; S16-V50 WeakPolarHBondContact O-CG1 3.5Å
17R91.7Very high96.7Very high92 Ų9214.1 Ų14.135%0.3479%0.088SC..SBendtrans-155.3170.9-177.363.5179.4177.6112.5-11.2112.1Q21 S245R17-Q21 VanDerWaalsContact C-CB 3.46Å; R17-Q21 PolarHBondContact O-N 3.42Å; R17-S245 PolarHBondContact NH1-OG 3.25Å; R17-S245 VanDerWaalsContact NH1-OG 3.17Å
18G91.8Very high96.8Very high7 Ų712 Ų127%0.0727%0.065CC..Hα-helixtrans58.8-137.8168.100000114.2G20 Q21 G22 E244G18-G20 VanDerWaalsContact C-N 3.35Å; G18-G20 PolarHBondContact O-N 3.36Å; G18-Q21 PolarHBondContact O-N 3.26Å; G18-G22 PolarHBondContact O-N 3.11Å; G18-E244 WeakPolarHBondContact CA-OE2 3.39Å; G18-E244 PolarHBondContact N-OE1 2.97Å; G18-E244 VanDerWaalsContact N-OE1 3.12Å; G18-E244 PolarHBondContact N-OE2 2.96Å
19V94.9Very high96.7Very high32 Ų3216.2 Ų16.219%0.1948%0.084CC..Hα-helixtrans-58.2-45.6-175.91790000111.7G22 I23 C100 I192 I241 T243 L274V19-G22 PolarHBondContact O-N 3.43Å; V19-I23 HydrophobicContact CG1-CD1 3.77Å; V19-I23 HydrophobicContact CG1-CG1 4.47Å; V19-I23 WeakPolarHBondContact O-CG1 3.28Å; V19-I23 PolarHBondContact O-N 3.02Å; V19-C100 VanDerWaalsContact CG1-SG 3.6Å; V19-I192 HydrophobicContact CG1-CG2 4.26Å; V19-I241 HydrophobicContact CG2-CB 4.08Å; V19-I241 HydrophobicContact CG2-CG1 4.13Å; V19-I241 HydrophobicContact CG2-CG2 4.07Å; V19-T243 HydrophobicContact CG2-CG2 3.86Å; V19-L274 HydrophobicContact CG1-CD1 3.64Å
20G97.1Very high96.7Very high2 Ų216.7 Ų16.72%0.0219%0.088CC..Hα-helixtrans-66-40.8-177.800000112.2V12 G14 G18 I23 A24 C100V12-G20 WeakPolarHBondContact CG1-O 3.46Å; G14-G20 WeakPolarHBondContact O-CA 3.32Å; G18-G20 VanDerWaalsContact C-N 3.35Å; G18-G20 PolarHBondContact O-N 3.36Å; G20-I23 PolarHBondContact O-N 2.98Å; G20-A24 WeakPolarHBondContact O-CB 3.1Å; G20-A24 PolarHBondContact O-N 3.44Å; G20-C100 VanDerWaalsContact CA-SG 3.54Å; G20-C100 PolarHBondContact N-SG 3.46Å; G20-C100 VanDerWaalsContact N-SG 3.36Å
21Q96.2Very high96.6Very high22 Ų2217.8 Ų17.810%0.10310%0.099CC..Hα-helixtrans-60.4-49.3173.1177.3-178.848.800111.5A15 R17 G18 I23 A24 I25 T55 E244A15-Q21 WeakPolarHBondContact O-CA 3.29Å; R17-Q21 VanDerWaalsContact C-CB 3.46Å; R17-Q21 PolarHBondContact O-N 3.42Å; G18-Q21 PolarHBondContact O-N 3.26Å; Q21-I23 VanDerWaalsContact C-N 3.32Å; Q21-I23 PolarHBondContact O-N 3.03Å; Q21-A24 PolarHBondContact O-N 3.47Å; Q21-A24 VanDerWaalsContact O-N 3.16Å; Q21-I25 HydrophobicContact CG-CD1 3.67Å; Q21-I25 HydrophobicContact CG-CG1 4.26Å; Q21-I25 WeakPolarHBondContact O-CG1 3.18Å; Q21-I25 PolarHBondContact O-N 3.35Å; Q21-T55 HydrophobicContact CG-CG2 3.87Å; Q21-T55 WeakPolarHBondContact CG-OG1 3.37Å; Q21-T55 PolarHBondContact NE2-OG1 2.94Å; Q21-E244 PolarHBondContact OE1-OE1 3.13Å
22G95.8Very high96.5Very high1 Ų117.8 Ų17.81%0.0110%0.099CC..Hα-helixtrans-55.4-48.7178.900000111.9G18 V19 A24 I25 G26 A271 P272G18-G22 PolarHBondContact O-N 3.11Å; V19-G22 PolarHBondContact O-N 3.43Å; G22-A24 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 3.37Å; G22-I25 PolarHBondContact O-N 2.95Å; G22-G26 PolarHBondContact O-N 3.36Å; G22-A271 CarbonylContact C-O 3.6Å; G22-A271 VanDerWaalsContact CA-C 3.47Å; G22-A271 WeakPolarHBondContact CA-O 3.44Å; G22-P272 WeakPolarHBondContact O-CA 3.05Å
23I98Very high96.5Very high0 Ų018.8 Ų18.80%011%0.106CC..Hα-helixtrans-57.4-48.2176.7-68.5166.3000111.3V12 V19 G20 Q21 I25 G26 L27 V98 I192 L274 G275 I278V12-I23 HydrophobicContact CG1-CB 4.44Å; V12-I23 HydrophobicContact CG1-CG2 4.29Å; V12-I23 HydrophobicContact CG2-CG2 4.03Å; V19-I23 HydrophobicContact CG1-CD1 3.77Å; V19-I23 HydrophobicContact CG1-CG1 4.47Å; V19-I23 WeakPolarHBondContact O-CG1 3.28Å; V19-I23 PolarHBondContact O-N 3.02Å; G20-I23 PolarHBondContact O-N 2.98Å; Q21-I23 VanDerWaalsContact C-N 3.32Å; Q21-I23 PolarHBondContact O-N 3.03Å; I23-I25 VanDerWaalsContact C-N 3.32Å; I23-I25 PolarHBondContact O-N 3.47Å; I23-G26 PolarHBondContact O-N 3.33Å; I23-L27 HydrophobicContact CG2-CD1 3.94Å; I23-L27 HydrophobicContact CG2-CG 4.37Å; I23-L27 WeakPolarHBondContact O-CG 3.45Å; I23-L27 PolarHBondContact O-N 3.05Å; I23-V98 HydrophobicContact CD1-CG1 4.02Å; I23-V98 HydrophobicContact CG2-CB 4.49Å; I23-V98 HydrophobicContact CG2-CG1 4.17Å; I23-V98 HydrophobicContact CG2-CG2 4.1Å; I23-I192 HydrophobicContact CD1-CD1 3.61Å; I23-I192 HydrophobicContact CD1-CG1 3.98Å; I23-L274 HydrophobicContact CD1-CB 4.34Å; I23-L274 HydrophobicContact CD1-CD1 4.47Å; I23-L274 HydrophobicContact CG1-CB 3.63Å; I23-L274 HydrophobicContact CG1-CD1 4.39Å; I23-G275 WeakPolarHBondContact O-CA 3.33Å; I23-I278 HydrophobicContact CD1-CD1 4.13Å; I23-I278 HydrophobicContact CG1-CD1 4.11Å; I23-I278 HydrophobicContact CG2-CD1 3.66Å
24A98.5Very high96.5Very high0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-60.1-4217900000112.6V12 A15 G20 Q21 G22 L27 G28 V34 L36 T55 I59V12-A24 HydrophobicContact CB-CB 4.27Å; V12-A24 HydrophobicContact CG1-CB 4.43Å; V12-A24 HydrophobicContact CG2-CB 4.15Å; A15-A24 HydrophobicContact CB-CB 4.2Å; G20-A24 WeakPolarHBondContact O-CB 3.1Å; G20-A24 PolarHBondContact O-N 3.44Å; Q21-A24 PolarHBondContact O-N 3.47Å; Q21-A24 VanDerWaalsContact O-N 3.16Å; G22-A24 VanDerWaalsContact C-N 3.34Å; G22-A24 PolarHBondContact O-N 3.37Å; A24-L27 PolarHBondContact O-N 3.48Å; A24-G28 PolarHBondContact O-N 3.11Å; A24-V34 HydrophobicContact CB-CG1 4.3Å; A24-L36 HydrophobicContact CB-CD2 3.44Å; A24-L36 VanDerWaalsContact CB-CD2 3.44Å; A24-T55 HydrophobicContact CB-CG2 4.2Å; A24-I59 HydrophobicContact CB-CD1 4.05Å; A24-I59 WeakPolarHBondContact O-CD1 3.37Å
25I97.4Very high96.6Very high13 Ų1317.8 Ų17.87%0.06710%0.095CC..Hα-helixtrans-62.4-47.5176.6-70170.4000110.9Q21 G22 I23 L27 G28 K29 T55 I58 I59 P272Q21-I25 HydrophobicContact CG-CD1 3.67Å; Q21-I25 HydrophobicContact CG-CG1 4.26Å; Q21-I25 WeakPolarHBondContact O-CG1 3.18Å; Q21-I25 PolarHBondContact O-N 3.35Å; G22-I25 PolarHBondContact O-N 2.95Å; I23-I25 VanDerWaalsContact C-N 3.32Å; I23-I25 PolarHBondContact O-N 3.47Å; I25-L27 PolarHBondContact O-N 3.29Å; I25-G28 PolarHBondContact O-N 3.09Å; I25-K29 HydrophobicContact CG2-CD 4.06Å; I25-K29 HydrophobicContact CG2-CG 4.36Å; I25-K29 WeakPolarHBondContact O-CB 3.28Å; I25-K29 WeakPolarHBondContact O-CG 3.35Å; I25-K29 PolarHBondContact O-N 3.05Å; I25-T55 HydrophobicContact CG1-CG2 4.25Å; I25-I58 HydrophobicContact CD1-CB 4.5Å; I25-I58 HydrophobicContact CD1-CD1 3.99Å; I25-I58 HydrophobicContact CD1-CG2 4Å; I25-I58 HydrophobicContact CG1-CB 4.48Å; I25-I58 HydrophobicContact CG1-CG2 3.98Å; I25-I58 HydrophobicContact CG2-CG2 4.02Å; I25-I59 HydrophobicContact CG1-CG1 4.43Å; I25-P272 HydrophobicContact CG2-CB 4.31Å; I25-P272 HydrophobicContact CG2-CG 4.37Å
26G96.2Very high96.7Very high0 Ų017.8 Ų17.80%010%0.095CC..Hα-helixtrans-62.6-41.9179.400000112.5G22 I23 G28 K29 A30G22-G26 PolarHBondContact O-N 3.36Å; I23-G26 PolarHBondContact O-N 3.33Å; G26-G28 PolarHBondContact O-N 3.42Å; G26-K29 PolarHBondContact O-N 3.01Å; G26-A30 PolarHBondContact O-N 3.43Å; G26-A30 VanDerWaalsContact O-N 3.16Å
27L98.2Very high96.9Very high0 Ų016.3 Ų16.30%09%0.085CC..Hα-helixtrans-64-40.5173.9-66.9175.7000112.4L5 C10 V12 I23 A24 I25 A30 A32 V34 I96 V98 I278 A279L5-L27 HydrophobicContact CD1-CD2 3.62Å; C10-L27 HydrophobicContact CB-CD1 4.18Å; V12-L27 HydrophobicContact CG2-CD1 3.83Å; I23-L27 HydrophobicContact CG2-CD1 3.94Å; I23-L27 HydrophobicContact CG2-CG 4.37Å; I23-L27 WeakPolarHBondContact O-CG 3.45Å; I23-L27 PolarHBondContact O-N 3.05Å; A24-L27 PolarHBondContact O-N 3.48Å; I25-L27 PolarHBondContact O-N 3.29Å; L27-A30 WeakPolarHBondContact O-CB 3.25Å; L27-A30 PolarHBondContact O-N 3.24Å; L27-A32 VanDerWaalsContact O-CB 3.31Å; L27-A32 WeakPolarHBondContact O-CB 3.43Å; L27-A32 PolarHBondContact O-N 3.06Å; L27-V34 HydrophobicContact CB-CG2 4Å; L27-I96 HydrophobicContact CD2-CD1 4.18Å; L27-V98 HydrophobicContact CD1-CG2 4.39Å; L27-I278 HydrophobicContact CD2-CB 4.32Å; L27-I278 HydrophobicContact CD2-CG2 3.97Å; L27-A279 HydrophobicContact CD2-CB 4.35Å
28G98Very high97.2Very high0 Ų012.2 Ų12.20%07%0.072CC..Hα-helixtrans-65.7-41.1176.900000113.1A24 I25 G26 A30 G31 G64A24-G28 PolarHBondContact O-N 3.11Å; I25-G28 PolarHBondContact O-N 3.09Å; G26-G28 PolarHBondContact O-N 3.42Å; G28-A30 PolarHBondContact O-N 2.86Å; G28-G31 PolarHBondContact O-N 2.97Å; G28-G64 VanDerWaalsContact O-CA 3.25Å; G28-G64 WeakPolarHBondContact O-CA 3.14Å; G28-G64 PolarHBondContact O-N 2.9Å
29K96.6Very high97.3Very high117 Ų11720.7 Ų20.751%0.50910%0.102SC..Hα-helixtrans-62.5-28.1173.4-77178.9175.5-174.30113I25 G26 G31I25-K29 HydrophobicContact CG2-CD 4.06Å; I25-K29 HydrophobicContact CG2-CG 4.36Å; I25-K29 WeakPolarHBondContact O-CB 3.28Å; I25-K29 WeakPolarHBondContact O-CG 3.35Å; I25-K29 PolarHBondContact O-N 3.05Å; G26-K29 PolarHBondContact O-N 3.01Å; K29-G31 PolarHBondContact O-N 2.66Å
30A96.8Very high97.2Very high12 Ų1222.6 Ų22.610%0.09911%0.113CC..THydrogen-bonded Turntrans-77.34171.400000113.3S3 L5 G26 L27 G28 A279S3-A30 WeakPolarHBondContact O-CA 3.46Å; S3-A30 VanDerWaalsContact O-CB 3.28Å; S3-A30 WeakPolarHBondContact O-CB 3.36Å; L5-A30 WeakPolarHBondContact CA-O 3.38Å; L5-A30 HydrophobicContact CB-CB 4.07Å; L5-A30 HydrophobicContact CD1-CB 3.91Å; L5-A30 HydrophobicContact CG-CB 3.83Å; L5-A30 PolarHBondContact N-O 2.93Å; G26-A30 PolarHBondContact O-N 3.43Å; G26-A30 VanDerWaalsContact O-N 3.16Å; L27-A30 WeakPolarHBondContact O-CB 3.25Å; L27-A30 PolarHBondContact O-N 3.24Å; G28-A30 PolarHBondContact O-N 2.86Å; A30-A279 HydrophobicContact CB-CB 4.07Å
31G97.1Very high96.9Very high23 Ų2325.4 Ų25.424%0.23713%0.128CC..THydrogen-bonded Turntrans87.87.4176.100000115.4G28 K29G28-G31 PolarHBondContact O-N 2.97Å; K29-G31 PolarHBondContact O-N 2.66Å
32A98.2Very high96.4Very high0 Ų026.6 Ų26.60%014%0.138CC..  trans-70.7156.5-178.700000113.4L5 L27 V34 K65L5-A32 HydrophobicContact CB-CB 3.85Å; L5-A32 HydrophobicContact CD1-CB 4.3Å; L5-A32 WeakPolarHBondContact O-CA 3.48Å; L27-A32 VanDerWaalsContact O-CB 3.31Å; L27-A32 WeakPolarHBondContact O-CB 3.43Å; L27-A32 PolarHBondContact O-N 3.06Å; A32-V34 HydrophobicContact CB-CG2 3.95Å; A32-K65 PolarHBondContact O-N 3.46Å
33T98.7Very high95.5Very high21 Ų2128.3 Ų28.313%0.12915%0.152CC..EExtended strand (participates in β ladder)trans-81.9119.9157-63.70000108.6Y8 C10 Y35 K65 I67Y8-T33 PolarHBondContact O-N 3.11Å; C10-T33 PolarHBondContact N-O 3.49Å; T33-Y35 HydrophobicContact CG2-CE2 4.44Å; T33-K65 CarbonylContact C-O 3.51Å; T33-K65 VanDerWaalsContact CA-O 3.29Å; T33-K65 WeakPolarHBondContact CA-O 3.25Å; T33-K65 HydrophobicContact CG2-CB 4.4Å; T33-K65 HydrophobicContact CG2-CD 4.12Å; T33-K65 HydrophobicContact CG2-CG 4.26Å; T33-I67 HydrophobicContact CG2-CD1 3.77Å; T33-I67 HydrophobicContact CG2-CG1 4.42Å
34V98.8Very high94.1Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-121114.6-174.1-1650000110.6C10 V12 A24 L27 A32 L36 K65 A66 I67C10-V34 HydrophobicContact CB-CG1 4.3Å; C10-V34 HydrophobicContact CB-CG2 4.29Å; C10-V34 CarbonylContact O-C 3.51Å; C10-V34 WeakPolarHBondContact O-CA 3.41Å; V12-V34 HydrophobicContact CG2-CG1 3.95Å; A24-V34 HydrophobicContact CB-CG1 4.3Å; L27-V34 HydrophobicContact CB-CG2 4Å; A32-V34 HydrophobicContact CB-CG2 3.95Å; V34-L36 HydrophobicContact CB-CD2 4.19Å; V34-L36 HydrophobicContact CG1-CD2 3.66Å; V34-L36 PolarHBondContact O-N 3.06Å; V34-K65 PolarHBondContact N-O 3.46Å; V34-A66 WeakPolarHBondContact O-CA 3.23Å; V34-I67 PolarHBondContact O-N 2.75Å
35Y98.8Very high91.7Very high0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-75.3117.4165.9-75.9-98.1000109.6V9 C10 V12 T33 I67 V69 I86 E89 Q90V9-Y35 HydrophobicContact CG1-CD2 4.35Å; V9-Y35 HydrophobicContact CG1-CE2 4.17Å; C10-Y35 PolarHBondContact O-N 3.34Å; V12-Y35 PolarHBondContact N-O 3.15Å; T33-Y35 HydrophobicContact CG2-CE2 4.44Å; Y35-I67 CarbonylContact C-O 3.53Å; Y35-I67 VanDerWaalsContact CA-O 3.31Å; Y35-I67 WeakPolarHBondContact CA-O 3.49Å; Y35-I67 HydrophobicContact CD1-CB 3.94Å; Y35-I67 HydrophobicContact CD1-CG2 3.79Å; Y35-I67 HydrophobicContact CD2-CD1 4.45Å; Y35-I67 HydrophobicContact CE1-CB 3.98Å; Y35-I67 HydrophobicContact CE1-CD1 4Å; Y35-I67 HydrophobicContact CE1-CG2 3.56Å; Y35-I67 HydrophobicContact CE2-CD1 3.8Å; Y35-I67 HydrophobicContact CG-CB 4.31Å; Y35-V69 HydrophobicContact CD1-CG2 3.85Å; Y35-V69 HydrophobicContact CE1-CG2 4.42Å; Y35-I86 HydrophobicContact CD1-CD1 4.46Å; Y35-I86 HydrophobicContact CD1-CG1 3.81Å; Y35-I86 HydrophobicContact CD2-CG1 4.15Å; Y35-I86 HydrophobicContact CD2-CG2 4.41Å; Y35-I86 HydrophobicContact CE1-CG1 3.77Å; Y35-I86 HydrophobicContact CE2-CG1 4.13Å; Y35-I86 HydrophobicContact CE2-CG2 4.03Å; Y35-I86 HydrophobicContact CG-CD1 4.34Å; Y35-I86 HydrophobicContact CG-CG1 4Å; Y35-E89 VanDerWaalsContact CE1-OE2 3.26Å; Y35-E89 WeakPolarHBondContact CE1-OE2 3.43Å; Y35-E89 VanDerWaalsContact CZ-OE2 3.32Å; Y35-E89 VanDerWaalsContact OH-CB 3.28Å; Y35-E89 WeakPolarHBondContact OH-CB 3.25Å; Y35-E89 PolarHBondContact OH-OE2 3.11Å; Y35-Q90 HydrophobicContact CE2-CG 3.85Å; Y35-Q90 PolarHBondContact OH-NE2 3.3Å
36L98.7Very high89.4Confident0 Ų046.1 Ų46.10%026%0.264CS..EExtended strand (participates in β ladder)trans-100.2119179.8-48.6179.9000108.6A15 A24 V34 L52 T55 A56 I59 A66 I67 S68 V69A15-L36 HydrophobicContact CB-CB 3.94Å; A15-L36 HydrophobicContact CB-CD2 4.03Å; A24-L36 HydrophobicContact CB-CD2 3.44Å; A24-L36 VanDerWaalsContact CB-CD2 3.44Å; V34-L36 HydrophobicContact CB-CD2 4.19Å; V34-L36 HydrophobicContact CG1-CD2 3.66Å; V34-L36 PolarHBondContact O-N 3.06Å; L36-L52 HydrophobicContact CB-CD2 3.92Å; L36-T55 HydrophobicContact CD1-CG2 3.84Å; L36-T55 HydrophobicContact CD2-CG2 4.34Å; L36-A56 HydrophobicContact CD1-CB 3.88Å; L36-I59 HydrophobicContact CD1-CD1 4.09Å; L36-I59 HydrophobicContact CD2-CD1 3.74Å; L36-I59 HydrophobicContact CG-CD1 4.45Å; L36-A66 HydrophobicContact CD1-CB 3.84Å; L36-A66 HydrophobicContact CG-CB 4.34Å; L36-I67 PolarHBondContact N-O 3.02Å; L36-S68 WeakPolarHBondContact O-CA 3.47Å; L36-V69 PolarHBondContact O-N 3.32Å
37T98.5Very high87Confident0 Ų053.2 Ų53.20%030%0.295CS..EExtended strand (participates in β ladder)trans-120144.3-179.268.90000112.8V11 V12 T13 G14 A15 V69 V71 H73 L82V11-T37 HydrophobicContact CG1-CG2 4.47Å; V12-T37 PolarHBondContact O-N 3.34Å; V12-T37 VanDerWaalsContact O-N 3.13Å; V12-T37 PolarHBondContact O-OG1 3.15Å; T13-T37 VanDerWaalsContact CA-OG1 3.3Å; T13-T37 WeakPolarHBondContact CA-OG1 3.5Å; G14-T37 CarbonylContact C-O 3.52Å; G14-T37 WeakPolarHBondContact CA-O 3.36Å; G14-T37 PolarHBondContact N-O 3.38Å; A15-T37 PolarHBondContact N-O 3.11Å; T37-V69 WeakPolarHBondContact CA-O 3.13Å; T37-V69 HydrophobicContact CG2-CB 4.29Å; T37-V71 HydrophobicContact CG2-CG2 4.17Å; T37-H73 PolarHBondContact OG1-NE2 3.29Å; T37-L82 HydrophobicContact CG2-CD1 3.75Å; T37-L82 HydrophobicContact CG2-CD2 3.75Å; T37-L82 HydrophobicContact CG2-CG 4.4Å
38G96.5Very high84.7Confident6 Ų657.9 Ų57.96%0.06234%0.343CS..EExtended strand (participates in β ladder)trans-177166.4-17900000109T40 A70 V71G38-T40 VanDerWaalsContact C-N 3.31Å; G38-T40 PolarHBondContact O-N 2.8Å; G38-A70 CarbonylContact O-C 3.46Å; G38-A70 VanDerWaalsContact O-CA 3.31Å; G38-A70 WeakPolarHBondContact O-CA 3.21Å; G38-V71 CarbonylContact C-O 3.57Å; G38-V71 VanDerWaalsContact C-O 3.28Å; G38-V71 PolarHBondContact O-N 3.03Å
39R94.4Very high83.3Confident186 Ų18659.8 Ų59.870%0.70236%0.362SS*.SBendtrans-62.2-36.9-172.2-68.7177.8-65.9-179.81.5113.4V71 D72R39-V71 PolarHBondContact N-O 2.79Å; R39-D72 HydrophobicContact CG-CB 4.5Å
40T92.9Very high82.4Confident71 Ų7156.9 Ų56.944%0.43635%0.354SS..  trans-129.2150.1-177.462.30000111.1G38 S42 L52G38-T40 VanDerWaalsContact C-N 3.31Å; G38-T40 PolarHBondContact O-N 2.8Å; T40-S42 WeakPolarHBondContact CB-O 3.37Å; T40-S42 PolarHBondContact OG1-O 3.28Å; T40-L52 WeakPolarHBondContact O-CD1 2.85Å
41L89.8Confident82.1Confident62 Ų6256.7 Ų56.733%0.32535%0.352SS..SBendtrans-76.9-40.5176.9-64.5177.2000112.3L52 R53 A70L41-L52 HydrophobicContact CD2-CD1 4.18Å; L41-L52 PolarHBondContact O-N 3.1Å; L41-R53 PolarHBondContact O-N 3.38Å; L41-A70 HydrophobicContact CD2-CB 4.28Å; L41-A70 HydrophobicContact CG-CB 4.22Å
42S86.6Confident81.9Confident47 Ų4755.6 Ų55.633%0.32934%0.341SS..SBendtrans-111.7157.7178.5-56.90000109.8T40 R53T40-S42 WeakPolarHBondContact CB-O 3.37Å; T40-S42 PolarHBondContact OG1-O 3.28Å; S42-R53 PolarHBondContact OG-NH1 2.7Å
43A76.8Confident81.7Confident37 Ų3762.8 Ų62.831%0.30637%0.368SS..PPolyproline II helixtrans-62.3148.6167.100000110.3G49A43-G49 VanDerWaalsContact CB-O 3.3Å; A43-G49 WeakPolarHBondContact CB-O 3.31Å
44E68.2Low81.4Confident128 Ų12865.3 Ų65.360%0.59838%0.381SS*.PPolyproline II helixtrans-63.3136.4171.1-67.5176.2175.200109.6G46 K47E44-G46 PolarHBondContact O-N 3.4Å; E44-K47 PolarHBondContact O-N 2.7Å
45N48.7Very low81.3Confident172 Ų17265.3 Ų65.392%0.9238%0.381SS*.THydrogen-bonded Turntrans-49.1123.7179.4-67.5-20.2000110.7
46G48.7Very low81.2Confident86 Ų8665.9 Ų65.989%0.88739%0.385SS*.THydrogen-bonded Turntrans96.4-11.3172.400000116.5E44E44-G46 PolarHBondContact O-N 3.4Å
47K46.6Very low81.2Confident150 Ų15072.3 Ų72.365%0.65242%0.415SS*.SBendtrans-102.5106.1164.5-65.6179.4-175.7168.60106.5E44 G49E44-K47 PolarHBondContact O-N 2.7Å; K47-G49 PolarHBondContact O-N 2.82Å
48G49.9Very low81.1Confident98 Ų9875.3 Ų75.3100%1.0143%0.43SS*.  trans-62.358.2177.200000113.3
49G66.9Low81.1Confident39 Ų3975 Ų7540%0.40243%0.427SS..  trans-100.4153.1-172.900000111.5A43 K47A43-G49 VanDerWaalsContact CB-O 3.3Å; A43-G49 WeakPolarHBondContact CB-O 3.31Å; K47-G49 PolarHBondContact O-N 2.82Å
50V79Confident81.3Confident56 Ų5670 Ų7034%0.33941%0.414SS..  trans-71.2135.9176.6-168.90000110.1S16 D54 E244S16-V50 CarbonylContact O-C 3.47Å; S16-V50 VanDerWaalsContact O-CG1 3.31Å; S16-V50 WeakPolarHBondContact O-CG1 3.5Å; V50-D54 HydrophobicContact CG1-CB 4.34Å; V50-E244 HydrophobicContact CG2-CG 4.45Å
51S89.3Confident81.5Confident8 Ų870.4 Ų70.46%0.05643%0.425CS..  trans-117.8170.7-175.774.20000113.8R53 D54 T55S51-R53 PolarHBondContact O-N 3.47Å; S51-R53 PolarHBondContact OG-N 3.2Å; S51-D54 WeakPolarHBondContact CB-OD2 3.36Å; S51-D54 PolarHBondContact N-OD2 2.62Å; S51-D54 PolarHBondContact O-N 2.97Å; S51-D54 VanDerWaalsContact OG-CG 3.23Å; S51-D54 PolarHBondContact OG-N 3.25Å; S51-D54 PolarHBondContact OG-OD2 3.37Å; S51-T55 PolarHBondContact O-N 3.09Å; S51-T55 PolarHBondContact O-OG1 3.04Å; S51-T55 VanDerWaalsContact O-OG1 3.1Å
52L93.8Very high81.8Confident0 Ų069.9 Ų69.90%043%0.426CS..Hα-helixtrans-62.7-29.9171-67.8178000111.7A15 L36 T40 L41 A56 S68A15-L52 HydrophobicContact CB-CD2 4.1Å; L36-L52 HydrophobicContact CB-CD2 3.92Å; T40-L52 WeakPolarHBondContact O-CD1 2.85Å; L41-L52 HydrophobicContact CD2-CD1 4.18Å; L41-L52 PolarHBondContact O-N 3.1Å; L52-A56 VanDerWaalsContact O-CB 3.29Å; L52-A56 WeakPolarHBondContact O-CB 3.46Å; L52-A56 PolarHBondContact O-N 2.73Å; L52-S68 PolarHBondContact O-OG 2.98Å
53R93.7Very high82.1Confident151 Ų15170.7 Ų70.757%0.5744%0.442SS*.Hα-helixtrans-69.2-40.8176.8-73.4-179.4176.6-178.70.4112.1L41 S42 S51 T55 A56 H57L41-R53 PolarHBondContact O-N 3.38Å; S42-R53 PolarHBondContact OG-NH1 2.7Å; S51-R53 PolarHBondContact O-N 3.47Å; S51-R53 PolarHBondContact OG-N 3.2Å; R53-T55 VanDerWaalsContact C-N 3.34Å; R53-A56 PolarHBondContact O-N 3.14Å; R53-H57 PolarHBondContact O-N 2.89Å
54D93.3Very high83.1Confident75 Ų7569.4 Ų69.440%0.40143%0.432SS..Hα-helixtrans-64.5-44177.5-53.4-46.4000110.6V50 S51 A56 H57 I58V50-D54 HydrophobicContact CG1-CB 4.34Å; S51-D54 WeakPolarHBondContact CB-OD2 3.36Å; S51-D54 PolarHBondContact N-OD2 2.62Å; S51-D54 PolarHBondContact O-N 2.97Å; S51-D54 VanDerWaalsContact OG-CG 3.23Å; S51-D54 PolarHBondContact OG-N 3.25Å; S51-D54 PolarHBondContact OG-OD2 3.37Å; D54-A56 VanDerWaalsContact C-N 3.35Å; D54-A56 PolarHBondContact O-N 3.4Å; D54-H57 PolarHBondContact O-N 2.89Å; D54-I58 WeakPolarHBondContact O-CG1 3.46Å; D54-I58 PolarHBondContact O-N 3.12Å; D54-I58 VanDerWaalsContact O-N 3.08Å
55T96.2Very high84.5Confident0 Ų068.9 Ų68.90%043%0.428CS..Hα-helixtrans-61.2-44.3175-54.60000111.5A15 Q21 A24 I25 L36 S51 R53 H57 I58 I59A15-T55 PolarHBondContact O-OG1 3.32Å; Q21-T55 HydrophobicContact CG-CG2 3.87Å; Q21-T55 WeakPolarHBondContact CG-OG1 3.37Å; Q21-T55 PolarHBondContact NE2-OG1 2.94Å; A24-T55 HydrophobicContact CB-CG2 4.2Å; I25-T55 HydrophobicContact CG1-CG2 4.25Å; L36-T55 HydrophobicContact CD1-CG2 3.84Å; L36-T55 HydrophobicContact CD2-CG2 4.34Å; S51-T55 PolarHBondContact O-N 3.09Å; S51-T55 PolarHBondContact O-OG1 3.04Å; S51-T55 VanDerWaalsContact O-OG1 3.1Å; R53-T55 VanDerWaalsContact C-N 3.34Å; T55-H57 VanDerWaalsContact C-N 3.34Å; T55-H57 PolarHBondContact O-N 3.33Å; T55-I58 PolarHBondContact O-N 2.96Å; T55-I59 HydrophobicContact CG2-CD1 4.02Å; T55-I59 WeakPolarHBondContact O-CG1 3.3Å; T55-I59 PolarHBondContact O-N 3.35Å; T55-I59 VanDerWaalsContact O-N 3.09Å
56A97.8Very high86.9Confident11 Ų1161.4 Ų61.49%0.09139%0.391CS..Hα-helixtrans-62-41.417700000112.4L36 L52 R53 D54 I59 N60 A66L36-A56 HydrophobicContact CD1-CB 3.88Å; L52-A56 VanDerWaalsContact O-CB 3.29Å; L52-A56 WeakPolarHBondContact O-CB 3.46Å; L52-A56 PolarHBondContact O-N 2.73Å; R53-A56 PolarHBondContact O-N 3.14Å; D54-A56 VanDerWaalsContact C-N 3.35Å; D54-A56 PolarHBondContact O-N 3.4Å; A56-I59 PolarHBondContact O-N 3.17Å; A56-N60 WeakPolarHBondContact O-CB 3.45Å; A56-N60 PolarHBondContact O-N 2.96Å; A56-N60 PolarHBondContact O-ND2 2.95Å; A56-A66 VanDerWaalsContact CA-CB 3.44Å; A56-A66 HydrophobicContact CB-CB 3.56Å
57H96.9Very high89.3Confident135 Ų13558.5 Ų58.563%0.62535%0.354SS*.Hα-helixtrans-59.8-47.3176.6-179.6-83.5000111.4R53 D54 T55 I59 N60 A61R53-H57 PolarHBondContact O-N 2.89Å; D54-H57 PolarHBondContact O-N 2.89Å; T55-H57 VanDerWaalsContact C-N 3.34Å; T55-H57 PolarHBondContact O-N 3.33Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 3.32Å; H57-N60 PolarHBondContact O-N 3.25Å; H57-A61 VanDerWaalsContact O-CB 3.24Å; H57-A61 WeakPolarHBondContact O-CB 3.43Å; H57-A61 PolarHBondContact O-N 3.33Å
58I96.5Very high91.7Very high63 Ų6352.9 Ų52.932%0.32333%0.334SS..Hα-helixtrans-59.3-44.2178-65.3164.7000111.2I25 D54 T55 S62I25-I58 HydrophobicContact CD1-CB 4.5Å; I25-I58 HydrophobicContact CD1-CD1 3.99Å; I25-I58 HydrophobicContact CD1-CG2 4Å; I25-I58 HydrophobicContact CG1-CB 4.48Å; I25-I58 HydrophobicContact CG1-CG2 3.98Å; I25-I58 HydrophobicContact CG2-CG2 4.02Å; D54-I58 WeakPolarHBondContact O-CG1 3.46Å; D54-I58 PolarHBondContact O-N 3.12Å; D54-I58 VanDerWaalsContact O-N 3.08Å; T55-I58 PolarHBondContact O-N 2.96Å; I58-S62 WeakPolarHBondContact O-CB 3.47Å; I58-S62 PolarHBondContact O-N 3.18Å; I58-S62 VanDerWaalsContact O-N 3.14Å; I58-S62 PolarHBondContact O-OG 3.3Å
59I97.9Very high94.1Very high0 Ų048.8 Ų48.80%029%0.289CS..Hα-helixtrans-65.5-49180-71.9168.3000111.3A24 I25 L36 T55 A56 H57 A61 S62 G63 G64 A66A24-I59 HydrophobicContact CB-CD1 4.05Å; A24-I59 WeakPolarHBondContact O-CD1 3.37Å; I25-I59 HydrophobicContact CG1-CG1 4.43Å; L36-I59 HydrophobicContact CD1-CD1 4.09Å; L36-I59 HydrophobicContact CD2-CD1 3.74Å; L36-I59 HydrophobicContact CG-CD1 4.45Å; T55-I59 HydrophobicContact CG2-CD1 4.02Å; T55-I59 WeakPolarHBondContact O-CG1 3.3Å; T55-I59 PolarHBondContact O-N 3.35Å; T55-I59 VanDerWaalsContact O-N 3.09Å; A56-I59 PolarHBondContact O-N 3.17Å; H57-I59 VanDerWaalsContact C-N 3.33Å; H57-I59 PolarHBondContact O-N 3.32Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 2.76Å; I59-S62 CarbonylContact O-C 3.58Å; I59-S62 WeakPolarHBondContact O-CA 3.3Å; I59-S62 WeakPolarHBondContact O-CB 3.37Å; I59-S62 PolarHBondContact O-N 2.85Å; I59-G63 PolarHBondContact O-N 3.47Å; I59-G64 PolarHBondContact O-N 3.39Å; I59-G64 VanDerWaalsContact O-N 3.15Å; I59-A66 HydrophobicContact CB-CB 3.97Å; I59-A66 HydrophobicContact CD1-CB 4.28Å; I59-A66 HydrophobicContact CG2-CB 3.82Å
60N98.2Very high95.5Very high81 Ų8149.3 Ų49.343%0.43329%0.29SS..Hα-helixtrans-63.2-41.2-179.4-68.3-21.8000111.4A56 H57 S62 G63 G64 A66A56-N60 WeakPolarHBondContact O-CB 3.45Å; A56-N60 PolarHBondContact O-N 2.96Å; A56-N60 PolarHBondContact O-ND2 2.95Å; H57-N60 PolarHBondContact O-N 3.25Å; N60-S62 PolarHBondContact O-N 3.13Å; N60-G63 PolarHBondContact O-N 3.26Å; N60-G63 VanDerWaalsContact O-N 3.11Å; N60-G64 WeakPolarHBondContact CA-O 3.24Å; N60-G64 PolarHBondContact OD1-O 3.22Å; N60-A66 PolarHBondContact OD1-N 3.19Å
61A97.4Very high96.5Very high79 Ų7946.8 Ų46.865%0.65327%0.274SS*.Hα-helixtrans-64.7-22.1174.700000113H57 I59H57-A61 VanDerWaalsContact O-CB 3.24Å; H57-A61 WeakPolarHBondContact O-CB 3.43Å; H57-A61 PolarHBondContact O-N 3.33Å; I59-A61 VanDerWaalsContact C-N 3.33Å; I59-A61 PolarHBondContact O-N 2.76Å
62S95Very high96.9Very high51 Ų5148.7 Ų48.736%0.35728%0.284SS..THydrogen-bonded Turntrans-89.63.2176.2-54.70000113.5I58 I59 N60I58-S62 WeakPolarHBondContact O-CB 3.47Å; I58-S62 PolarHBondContact O-N 3.18Å; I58-S62 VanDerWaalsContact O-N 3.14Å; I58-S62 PolarHBondContact O-OG 3.3Å; I59-S62 CarbonylContact O-C 3.58Å; I59-S62 WeakPolarHBondContact O-CA 3.3Å; I59-S62 WeakPolarHBondContact O-CB 3.37Å; I59-S62 PolarHBondContact O-N 2.85Å; N60-S62 PolarHBondContact O-N 3.13Å
63G93.7Very high97.1Very high64 Ų6449 Ų4966%0.6629%0.286SS*.THydrogen-bonded Turntrans89.3-2.8179.600000115.4I59 N60I59-G63 PolarHBondContact O-N 3.47Å; N60-G63 PolarHBondContact O-N 3.26Å; N60-G63 VanDerWaalsContact O-N 3.11Å
64G97.3Very high97.3Very high10 Ų1043.9 Ų43.910%0.10327%0.273CS..  trans-79.1177.9169.500000112.2G28 I59 N60G28-G64 VanDerWaalsContact O-CA 3.25Å; G28-G64 WeakPolarHBondContact O-CA 3.14Å; G28-G64 PolarHBondContact O-N 2.9Å; I59-G64 PolarHBondContact O-N 3.39Å; I59-G64 VanDerWaalsContact O-N 3.15Å; N60-G64 WeakPolarHBondContact CA-O 3.24Å; N60-G64 PolarHBondContact OD1-O 3.22Å
65K98.5Very high97.5Very high117 Ų11743 Ų4351%0.50927%0.268SS..EExtended strand (participates in β ladder)trans-120.8109175.4-179.7179.7179.7-179.30110.8A32 T33 V34A32-K65 PolarHBondContact O-N 3.46Å; T33-K65 CarbonylContact C-O 3.51Å; T33-K65 VanDerWaalsContact CA-O 3.29Å; T33-K65 WeakPolarHBondContact CA-O 3.25Å; T33-K65 HydrophobicContact CG2-CB 4.4Å; T33-K65 HydrophobicContact CG2-CD 4.12Å; T33-K65 HydrophobicContact CG2-CG 4.26Å; V34-K65 PolarHBondContact N-O 3.46Å
66A98.6Very high97.6Very high16 Ų1645.9 Ų45.913%0.13228%0.283CS..EExtended strand (participates in β ladder)trans-92.6134.2175.900000112.6V34 L36 A56 I59 N60V34-A66 WeakPolarHBondContact O-CA 3.23Å; L36-A66 HydrophobicContact CD1-CB 3.84Å; L36-A66 HydrophobicContact CG-CB 4.34Å; A56-A66 VanDerWaalsContact CA-CB 3.44Å; A56-A66 HydrophobicContact CB-CB 3.56Å; I59-A66 HydrophobicContact CB-CB 3.97Å; I59-A66 HydrophobicContact CD1-CB 4.28Å; I59-A66 HydrophobicContact CG2-CB 3.82Å; N60-A66 PolarHBondContact OD1-N 3.19Å
67I98.5Very high97.7Very high24 Ų2450.7 Ų50.712%0.12331%0.312CS..EExtended strand (participates in β ladder)trans-123.799.9173.7-56.3172.2000108.5T33 V34 Y35 L36 V69T33-I67 HydrophobicContact CG2-CD1 3.77Å; T33-I67 HydrophobicContact CG2-CG1 4.42Å; V34-I67 PolarHBondContact O-N 2.75Å; Y35-I67 CarbonylContact C-O 3.53Å; Y35-I67 VanDerWaalsContact CA-O 3.31Å; Y35-I67 WeakPolarHBondContact CA-O 3.49Å; Y35-I67 HydrophobicContact CD1-CB 3.94Å; Y35-I67 HydrophobicContact CD1-CG2 3.79Å; Y35-I67 HydrophobicContact CD2-CD1 4.45Å; Y35-I67 HydrophobicContact CE1-CB 3.98Å; Y35-I67 HydrophobicContact CE1-CD1 4Å; Y35-I67 HydrophobicContact CE1-CG2 3.56Å; Y35-I67 HydrophobicContact CE2-CD1 3.8Å; Y35-I67 HydrophobicContact CG-CB 4.31Å; L36-I67 PolarHBondContact N-O 3.02Å; I67-V69 HydrophobicContact CG2-CG2 4.31Å
68S98.4Very high97.8Very high32 Ų3248 Ų4822%0.22430%0.299CS..EExtended strand (participates in β ladder)trans-79130.6179.7-55.20000111.6L36 L52L36-S68 WeakPolarHBondContact O-CA 3.47Å; L52-S68 PolarHBondContact O-OG 2.98Å
69V98.4Very high97.9Very high13 Ų1345 Ų458%0.07928%0.284CS..EExtended strand (participates in β ladder)trans-131.5123.4178.8-167.90000109.3Y35 L36 T37 I67 V71 L82Y35-V69 HydrophobicContact CD1-CG2 3.85Å; Y35-V69 HydrophobicContact CE1-CG2 4.42Å; L36-V69 PolarHBondContact O-N 3.32Å; T37-V69 WeakPolarHBondContact CA-O 3.13Å; T37-V69 HydrophobicContact CG2-CB 4.29Å; I67-V69 HydrophobicContact CG2-CG2 4.31Å; V69-V71 HydrophobicContact CB-CG2 4.26Å; V69-V71 HydrophobicContact CG1-CG2 3.79Å; V69-V71 PolarHBondContact O-N 3.3Å; V69-L82 HydrophobicContact CB-CD1 4.17Å; V69-L82 HydrophobicContact CG1-CD1 4.11Å; V69-L82 HydrophobicContact CG2-CD1 4.21Å
70A97.8Very high97.9Very high49 Ų4947 Ų4741%0.40530%0.301SS..EExtended strand (participates in β ladder)trans-70.8118.8171.400000108.9G38 L41G38-A70 CarbonylContact O-C 3.46Å; G38-A70 VanDerWaalsContact O-CA 3.31Å; G38-A70 WeakPolarHBondContact O-CA 3.21Å; L41-A70 HydrophobicContact CD2-CB 4.28Å; L41-A70 HydrophobicContact CG-CB 4.22Å
71V98.4Very high98Very high3 Ų345 Ų452%0.01830%0.299CS..  trans-143.8118.8179.2-177.80000108T37 G38 R39 V69 H73 Q78 V79 L82T37-V71 HydrophobicContact CG2-CG2 4.17Å; G38-V71 CarbonylContact C-O 3.57Å; G38-V71 VanDerWaalsContact C-O 3.28Å; G38-V71 PolarHBondContact O-N 3.03Å; R39-V71 PolarHBondContact N-O 2.79Å; V69-V71 HydrophobicContact CB-CG2 4.26Å; V69-V71 HydrophobicContact CG1-CG2 3.79Å; V69-V71 PolarHBondContact O-N 3.3Å; V71-H73 PolarHBondContact O-N 2.84Å; V71-Q78 HydrophobicContact CG1-CB 4.16Å; V71-V79 HydrophobicContact CG1-CG2 4.26Å; V71-L82 HydrophobicContact CG2-CB 4.1Å; V71-L82 HydrophobicContact CG2-CD1 4.22Å; V71-L82 HydrophobicContact CG2-CD2 4.3Å; V71-L82 HydrophobicContact CG2-CG 4.43Å
72D98Very high98Very high49 Ų4941.3 Ų41.326%0.26227%0.269SS..  trans-77.7106.7160.3-167.3-20.7000109.3R39 S74 D75R39-D72 HydrophobicContact CG-CB 4.5Å; D72-S74 PolarHBondContact O-N 3Å; D72-S74 VanDerWaalsContact O-N 3.09Å; D72-S74 WeakPolarHBondContact OD1-CB 3.36Å; D72-S74 PolarHBondContact OD1-N 2.64Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-S74 PolarHBondContact OD2-OG 2.98Å; D72-D75 HydrophobicContact CB-CB 4.3Å; D72-D75 PolarHBondContact O-N 3.21Å
73H98.4Very high98.2Very high7 Ų739.5 Ų39.53%0.03225%0.254CS..THydrogen-bonded Turntrans-70.74.8177.6-81.4-77.5000113.6T13 T37 V71 A101 V133 N137T13-H73 WeakPolarHBondContact CG2-CE1 3.32Å; T37-H73 PolarHBondContact OG1-NE2 3.29Å; V71-H73 PolarHBondContact O-N 2.84Å; H73-A101 HydrophobicContact CB-CB 4.23Å; H73-V133 HydrophobicContact CB-CG1 3.87Å; H73-N137 WeakPolarHBondContact CB-ND2 3.44Å; H73-N137 PolarHBondContact ND1-ND2 3.28Å; H73-N137 VanDerWaalsContact ND1-ND2 3.11Å; H73-N137 WeakPolarHBondContact O-CB 3.33Å; H73-N137 PolarHBondContact O-OD1 3.47Å
74S97.9Very high98.4Very high43 Ų4340.3 Ų40.330%0.30125%0.25SC..THydrogen-bonded Turntrans-94.7-8165.5710000113.6D72D72-S74 PolarHBondContact O-N 3Å; D72-S74 VanDerWaalsContact O-N 3.09Å; D72-S74 WeakPolarHBondContact OD1-CB 3.36Å; D72-S74 PolarHBondContact OD1-N 2.64Å; D72-S74 PolarHBondContact OD1-OG 3.3Å; D72-S74 PolarHBondContact OD2-OG 2.98Å
75D98.5Very high98.5Very high56 Ų5644.3 Ų44.330%0.29926%0.262SS..  trans-107.8108.3-179.8-178.9-16.4000111.1D72 T77 Q78 V79D72-D75 HydrophobicContact CB-CB 4.3Å; D72-D75 PolarHBondContact O-N 3.21Å; D75-T77 PolarHBondContact O-N 3.35Å; D75-T77 WeakPolarHBondContact OD1-CA 3.44Å; D75-T77 VanDerWaalsContact OD1-CB 3.27Å; D75-T77 WeakPolarHBondContact OD1-CB 3.45Å; D75-T77 PolarHBondContact OD1-N 3.45Å; D75-Q78 HydrophobicContact CB-CB 4.23Å; D75-Q78 HydrophobicContact CB-CG 4.17Å; D75-Q78 PolarHBondContact O-N 3.3Å; D75-Q78 PolarHBondContact OD1-N 2.8Å; D75-Q78 WeakPolarHBondContact OD2-CG 3.28Å; D75-Q78 PolarHBondContact OD2-NE2 2.93Å; D75-V79 WeakPolarHBondContact O-CG2 3.44Å; D75-V79 PolarHBondContact O-N 2.63Å; D75-V79 VanDerWaalsContact O-N 3.09Å
76D98.4Very high98.5Very high60 Ų6038.8 Ų38.832%0.32124%0.238SC..Hα-helixtrans-60.5-29.3-177.6-61.2-13.7000112.8A80 R136 I140D76-A80 WeakPolarHBondContact O-CB 3.49Å; D76-A80 PolarHBondContact O-N 3.11Å; D76-R136 IonicContact OD1-CZ 2.63Å; D76-R136 IonicContact OD1-NH1 3.52Å; D76-R136 PolarHBondContact OD1-NH1 2.95Å; D76-R136 IonicContact OD1-NH2 3.92Å; D76-R136 IonicContact OD2-CZ 3.25Å; D76-R136 IonicContact OD2-NH1 2.91Å; D76-R136 PolarHBondContact OD2-NH1 3.41Å; D76-R136 VanDerWaalsContact OD2-NH1 3.17Å; D76-R136 IonicContact OD2-NH2 3.66Å; D76-R136 PolarHBondContact OD2-NH2 3.43Å; D76-I140 WeakPolarHBondContact OD1-CD1 3.47Å
77T98.7Very high98.5Very high113 Ų11341.7 Ų41.769%0.69325%0.248SC*.Hα-helixtrans-70.8-42.6179.4-53.10000110.6D75 A80 G81D75-T77 PolarHBondContact O-N 3.35Å; D75-T77 WeakPolarHBondContact OD1-CA 3.44Å; D75-T77 VanDerWaalsContact OD1-CB 3.27Å; D75-T77 WeakPolarHBondContact OD1-CB 3.45Å; D75-T77 PolarHBondContact OD1-N 3.45Å; T77-A80 PolarHBondContact O-N 3.35Å; T77-G81 PolarHBondContact O-N 3.33Å
78Q98.7Very high98.5Very high77 Ų7748.9 Ų48.936%0.3628%0.279SS..Hα-helixtrans-66.7-39.1175.9-69.3-178.954.700111.5V71 D75 G81 L82V71-Q78 HydrophobicContact CG1-CB 4.16Å; D75-Q78 HydrophobicContact CB-CB 4.23Å; D75-Q78 HydrophobicContact CB-CG 4.17Å; D75-Q78 PolarHBondContact O-N 3.3Å; D75-Q78 PolarHBondContact OD1-N 2.8Å; D75-Q78 WeakPolarHBondContact OD2-CG 3.28Å; D75-Q78 PolarHBondContact OD2-NE2 2.93Å; Q78-G81 PolarHBondContact O-N 3.43Å; Q78-L82 PolarHBondContact O-N 2.96Å
79V98.8Very high98.5Very high0 Ų050.9 Ų50.90%028%0.284CS..Hα-helixtrans-62.2-46.6175175.10000110.8V71 D75 G81 L82 F83 N137 I140 L144V71-V79 HydrophobicContact CG1-CG2 4.26Å; D75-V79 WeakPolarHBondContact O-CG2 3.44Å; D75-V79 PolarHBondContact O-N 2.63Å; D75-V79 VanDerWaalsContact O-N 3.09Å; V79-G81 VanDerWaalsContact C-N 3.32Å; V79-G81 PolarHBondContact O-N 2.92Å; V79-L82 WeakPolarHBondContact O-CB 3.44Å; V79-L82 PolarHBondContact O-N 3.33Å; V79-F83 HydrophobicContact CG1-CD2 4.31Å; V79-F83 HydrophobicContact CG1-CE2 4.14Å; V79-F83 WeakPolarHBondContact O-CD2 3.42Å; V79-F83 PolarHBondContact O-N 3.44Å; V79-N137 VanDerWaalsContact CG2-OD1 3.28Å; V79-N137 WeakPolarHBondContact CG2-OD1 3.25Å; V79-I140 HydrophobicContact CG1-CG2 4.15Å; V79-L144 HydrophobicContact CG1-CD1 4.01Å
80A98.7Very high98.5Very high42 Ų4251.9 Ų51.935%0.34729%0.288SS..Hα-helixtrans-62.4-38.6174.800000112.5D76 T77 L82 F83 S84D76-A80 WeakPolarHBondContact O-CB 3.49Å; D76-A80 PolarHBondContact O-N 3.11Å; T77-A80 PolarHBondContact O-N 3.35Å; A80-L82 VanDerWaalsContact C-N 3.35Å; A80-L82 PolarHBondContact O-N 2.89Å; A80-F83 PolarHBondContact O-N 3.39Å; A80-S84 WeakPolarHBondContact O-CB 3.41Å; A80-S84 PolarHBondContact O-N 3.3Å; A80-S84 PolarHBondContact O-OG 3.26Å
81G98.7Very high98.4Very high39 Ų3959.2 Ų59.240%0.40231%0.307SS..Hα-helixtrans-61-39.6174.200000113.1T77 Q78 V79 S84 R85T77-G81 PolarHBondContact O-N 3.33Å; Q78-G81 PolarHBondContact O-N 3.43Å; V79-G81 VanDerWaalsContact C-N 3.32Å; V79-G81 PolarHBondContact O-N 2.92Å; G81-S84 PolarHBondContact O-N 3.18Å; G81-R85 WeakPolarHBondContact O-CB 3.28Å; G81-R85 PolarHBondContact O-N 3.34Å
82L98.8Very high98.3Very high3 Ų359.2 Ų59.22%0.01631%0.307CS..Hα-helixtrans-58.5-52.3174.2171.868.1000111.4V11 T37 V69 V71 Q78 V79 A80 S84 R85 I86V11-L82 HydrophobicContact CG1-CD2 4.39Å; T37-L82 HydrophobicContact CG2-CD1 3.75Å; T37-L82 HydrophobicContact CG2-CD2 3.75Å; T37-L82 HydrophobicContact CG2-CG 4.4Å; V69-L82 HydrophobicContact CB-CD1 4.17Å; V69-L82 HydrophobicContact CG1-CD1 4.11Å; V69-L82 HydrophobicContact CG2-CD1 4.21Å; V71-L82 HydrophobicContact CG2-CB 4.1Å; V71-L82 HydrophobicContact CG2-CD1 4.22Å; V71-L82 HydrophobicContact CG2-CD2 4.3Å; V71-L82 HydrophobicContact CG2-CG 4.43Å; Q78-L82 PolarHBondContact O-N 2.96Å; V79-L82 WeakPolarHBondContact O-CB 3.44Å; V79-L82 PolarHBondContact O-N 3.33Å; A80-L82 VanDerWaalsContact C-N 3.35Å; A80-L82 PolarHBondContact O-N 2.89Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 2.93Å; L82-R85 WeakPolarHBondContact O-CB 3.46Å; L82-R85 PolarHBondContact O-N 3.15Å; L82-I86 HydrophobicContact CD1-CD1 3.82Å; L82-I86 HydrophobicContact CD1-CG1 4.23Å; L82-I86 HydrophobicContact CG-CD1 3.82Å; L82-I86 VanDerWaalsContact O-CG1 3.29Å; L82-I86 WeakPolarHBondContact O-CG1 3.45Å; L82-I86 PolarHBondContact O-N 3.26Å
83F98.8Very high98.3Very high13 Ų1359.5 Ų59.56%0.05731%0.305CS..Hα-helixtrans-63.4-38.9179.7-79.3-81.7000112.1V79 A80 R85 I86 H87 L94 F97 L144 A145 M148V79-F83 HydrophobicContact CG1-CD2 4.31Å; V79-F83 HydrophobicContact CG1-CE2 4.14Å; V79-F83 WeakPolarHBondContact O-CD2 3.42Å; V79-F83 PolarHBondContact O-N 3.44Å; A80-F83 PolarHBondContact O-N 3.39Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 PolarHBondContact O-N 3.36Å; F83-I86 PolarHBondContact O-N 2.91Å; F83-H87 VanDerWaalsContact O-CB 3.29Å; F83-H87 WeakPolarHBondContact O-CB 3.27Å; F83-H87 PolarHBondContact O-N 3.39Å; F83-L94 HydrophobicContact CE1-CD2 4.11Å; F83-F97 HydrophobicContact CE1-CD2 4.2Å; F83-F97 HydrophobicContact CE1-CE2 4.1Å; F83-F97 HydrophobicContact CE2-CE2 4.32Å; F83-F97 AromaticContact CZ-CD2 3.99Å; F83-F97 HydrophobicContact CZ-CD2 3.99Å; F83-F97 AromaticContact CZ-CE2 3.48Å; F83-F97 HydrophobicContact CZ-CE2 3.48Å; F83-F97 VanDerWaalsContact CZ-CE2 3.48Å; F83-F97 AromaticContact CZ-CZ 3.95Å; F83-F97 HydrophobicContact CZ-CZ 3.95Å; F83-L144 HydrophobicContact CD1-CB 3.99Å; F83-L144 HydrophobicContact CD2-CB 3.56Å; F83-L144 HydrophobicContact CD2-CD1 3.5Å; F83-L144 HydrophobicContact CD2-CG 4.17Å; F83-L144 HydrophobicContact CE1-CB 3.99Å; F83-L144 HydrophobicContact CE2-CB 3.55Å; F83-L144 HydrophobicContact CE2-CD1 3.84Å; F83-L144 HydrophobicContact CE2-CG 4.35Å; F83-L144 HydrophobicContact CG-CB 3.78Å; F83-L144 HydrophobicContact CG-CD1 4.27Å; F83-L144 HydrophobicContact CZ-CB 3.77Å; F83-A145 VanDerWaalsContact CE1-CA 3.49Å; F83-A145 HydrophobicContact CE1-CB 3.79Å; F83-A145 HydrophobicContact CZ-CB 3.98Å; F83-M148 HydrophobicContact CD1-SD 4.19Å
84S98.7Very high98.3Very high80 Ų8059.2 Ų59.256%0.55930%0.303SS*.Hα-helixtrans-61.8-41.5175.5-57.80000111.9A80 G81 L82 K88A80-S84 WeakPolarHBondContact O-CB 3.41Å; A80-S84 PolarHBondContact O-N 3.3Å; A80-S84 PolarHBondContact O-OG 3.26Å; G81-S84 PolarHBondContact O-N 3.18Å; L82-S84 VanDerWaalsContact C-N 3.32Å; L82-S84 PolarHBondContact O-N 2.93Å; S84-K88 PolarHBondContact O-N 3.13Å; S84-K88 VanDerWaalsContact O-N 3.11Å
85R98.7Very high98.3Very high95 Ų9557.2 Ų57.236%0.35829%0.289SS..Hα-helixtrans-63-50.6175.5176.7178.8175.9176.8-2.6111.8G81 L82 F83 H87 K88 E89G81-R85 WeakPolarHBondContact O-CB 3.28Å; G81-R85 PolarHBondContact O-N 3.34Å; L82-R85 WeakPolarHBondContact O-CB 3.46Å; L82-R85 PolarHBondContact O-N 3.15Å; F83-R85 VanDerWaalsContact C-N 3.33Å; F83-R85 PolarHBondContact O-N 3.36Å; R85-H87 VanDerWaalsContact C-N 3.29Å; R85-H87 PolarHBondContact O-N 3.28Å; R85-K88 PolarHBondContact O-N 3.26Å; R85-E89 HydrophobicContact CG-CG 4.25Å; R85-E89 WeakPolarHBondContact CG-OE1 3.33Å; R85-E89 IonicContact CZ-OE1 3.47Å; R85-E89 IonicContact NE-OE1 2.8Å; R85-E89 PolarHBondContact NE-OE1 3.18Å; R85-E89 IonicContact NE-OE2 3.78Å; R85-E89 PolarHBondContact NE-OE2 3.19Å; R85-E89 IonicContact NH2-OE1 3.3Å; R85-E89 PolarHBondContact NH2-OE1 2.79Å; R85-E89 IonicContact NH2-OE2 2.71Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 WeakPolarHBondContact O-CG 3.29Å; R85-E89 PolarHBondContact O-N 3.48Å
86I98.6Very high98.3Very high0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-60.8-43.8179.7-59.3159000109.6V9 V11 Y35 L82 F83 K88 E89 Q90 M148V9-I86 HydrophobicContact CG1-CG2 4.14Å; V11-I86 HydrophobicContact CG2-CD1 3.5Å; Y35-I86 HydrophobicContact CD1-CD1 4.46Å; Y35-I86 HydrophobicContact CD1-CG1 3.81Å; Y35-I86 HydrophobicContact CD2-CG1 4.15Å; Y35-I86 HydrophobicContact CD2-CG2 4.41Å; Y35-I86 HydrophobicContact CE1-CG1 3.77Å; Y35-I86 HydrophobicContact CE2-CG1 4.13Å; Y35-I86 HydrophobicContact CE2-CG2 4.03Å; Y35-I86 HydrophobicContact CG-CD1 4.34Å; Y35-I86 HydrophobicContact CG-CG1 4Å; L82-I86 HydrophobicContact CD1-CD1 3.82Å; L82-I86 HydrophobicContact CD1-CG1 4.23Å; L82-I86 HydrophobicContact CG-CD1 3.82Å; L82-I86 VanDerWaalsContact O-CG1 3.29Å; L82-I86 WeakPolarHBondContact O-CG1 3.45Å; L82-I86 PolarHBondContact O-N 3.26Å; F83-I86 PolarHBondContact O-N 2.91Å; I86-K88 VanDerWaalsContact C-N 3.29Å; I86-K88 PolarHBondContact O-N 3.29Å; I86-E89 PolarHBondContact O-N 3.03Å; I86-Q90 HydrophobicContact CG2-CB 4.39Å; I86-Q90 HydrophobicContact CG2-CG 3.99Å; I86-Q90 VanDerWaalsContact O-CB 3.29Å; I86-Q90 WeakPolarHBondContact O-CB 3.45Å; I86-Q90 PolarHBondContact O-N 3.36Å; I86-M148 HydrophobicContact CB-CE 4.22Å; I86-M148 HydrophobicContact CG2-CE 3.71Å; I86-M148 HydrophobicContact CG2-SD 4.44Å
87H98.3Very high98.3Very high78 Ų7851.7 Ų51.736%0.36126%0.26SS..Hα-helixtrans-55.4-45177.1-175.381.9000111.9F83 R85 Y91 G92 M148F83-H87 VanDerWaalsContact O-CB 3.29Å; F83-H87 WeakPolarHBondContact O-CB 3.27Å; F83-H87 PolarHBondContact O-N 3.39Å; R85-H87 VanDerWaalsContact C-N 3.29Å; R85-H87 PolarHBondContact O-N 3.28Å; H87-Y91 PolarHBondContact O-N 2.74Å; H87-G92 VanDerWaalsContact ND1-CA 3.34Å; H87-G92 WeakPolarHBondContact ND1-CA 3.5Å; H87-G92 PolarHBondContact O-N 3.4Å; H87-M148 HydrophobicContact CB-CE 4.03Å; H87-M148 HydrophobicContact CB-SD 4.49Å
88K98.4Very high98.3Very high175 Ų17546.3 Ų46.376%0.76123%0.227SC*.Hα-helixtrans-68.7-47.9177.4-178.9178.4176.9-179.60112.9S84 R85 I86 Q90S84-K88 PolarHBondContact O-N 3.13Å; S84-K88 VanDerWaalsContact O-N 3.11Å; R85-K88 PolarHBondContact O-N 3.26Å; I86-K88 VanDerWaalsContact C-N 3.29Å; I86-K88 PolarHBondContact O-N 3.29Å; K88-Q90 VanDerWaalsContact C-N 3.34Å
89E98.4Very high98.3Very high73 Ų7343.1 Ų43.134%0.34121%0.212SC..Hα-helixtrans-73.5-25.4-173.5-71.8178.4175.700113.3Y35 R85 I86Y35-E89 VanDerWaalsContact CE1-OE2 3.26Å; Y35-E89 WeakPolarHBondContact CE1-OE2 3.43Å; Y35-E89 VanDerWaalsContact CZ-OE2 3.32Å; Y35-E89 VanDerWaalsContact OH-CB 3.28Å; Y35-E89 WeakPolarHBondContact OH-CB 3.25Å; Y35-E89 PolarHBondContact OH-OE2 3.11Å; R85-E89 HydrophobicContact CG-CG 4.25Å; R85-E89 WeakPolarHBondContact CG-OE1 3.33Å; R85-E89 IonicContact CZ-OE1 3.47Å; R85-E89 IonicContact NE-OE1 2.8Å; R85-E89 PolarHBondContact NE-OE1 3.18Å; R85-E89 IonicContact NE-OE2 3.78Å; R85-E89 PolarHBondContact NE-OE2 3.19Å; R85-E89 IonicContact NH2-OE1 3.3Å; R85-E89 PolarHBondContact NH2-OE1 2.79Å; R85-E89 IonicContact NH2-OE2 2.71Å; R85-E89 WeakPolarHBondContact O-CB 3.43Å; R85-E89 WeakPolarHBondContact O-CG 3.29Å; R85-E89 PolarHBondContact O-N 3.48Å; I86-E89 PolarHBondContact O-N 3.03Å
90Q97.9Very high98.3Very high34 Ų3444.1 Ų44.116%0.15922%0.219CC..THydrogen-bonded Turntrans-116.216.9-174.9-53.9-58.9-36.800112.9V9 Y35 I86 K88 G92 R93V9-Q90 HydrophobicContact CG1-CB 4.31Å; V9-Q90 HydrophobicContact CG1-CG 3.81Å; V9-Q90 HydrophobicContact CG2-CB 4.11Å; V9-Q90 HydrophobicContact CG2-CG 4.04Å; Y35-Q90 HydrophobicContact CE2-CG 3.85Å; Y35-Q90 PolarHBondContact OH-NE2 3.3Å; I86-Q90 HydrophobicContact CG2-CB 4.39Å; I86-Q90 HydrophobicContact CG2-CG 3.99Å; I86-Q90 VanDerWaalsContact O-CB 3.29Å; I86-Q90 WeakPolarHBondContact O-CB 3.45Å; I86-Q90 PolarHBondContact O-N 3.36Å; K88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-G92 PolarHBondContact O-N 3.06Å; Q90-R93 HydrophobicContact CB-CB 4.38Å; Q90-R93 WeakPolarHBondContact O-CB 3.37Å; Q90-R93 PolarHBondContact O-N 2.92Å
91Y96.2Very high98.2Very high204 Ų20442.7 Ų42.780%0.821%0.207SC*.THydrogen-bonded Turntrans51.443.7179.3-49.3-79.2000112.4H87 R93H87-Y91 PolarHBondContact O-N 2.74Å; Y91-R93 VanDerWaalsContact C-N 3.29Å; Y91-R93 PolarHBondContact O-N 3Å
92G96.3Very high98.1Very high2 Ų243.3 Ų43.32%0.02120%0.199CC..THydrogen-bonded Turntrans80-4.9-179.400000116.4H87 Q90 M148 C152H87-G92 VanDerWaalsContact ND1-CA 3.34Å; H87-G92 WeakPolarHBondContact ND1-CA 3.5Å; H87-G92 PolarHBondContact O-N 3.4Å; Q90-G92 PolarHBondContact O-N 3.06Å; G92-M148 VanDerWaalsContact C-CE 3.48Å; G92-M148 VanDerWaalsContact O-CE 3.26Å; G92-M148 WeakPolarHBondContact O-CE 3.32Å; G92-M148 WeakPolarHBondContact O-CG 3.34Å; G92-C152 WeakPolarHBondContact O-CB 3.41Å
93R97.5Very high97.9Very high56 Ų5645.6 Ų45.621%0.21122%0.215CC..  trans-75.5131.1-175.8-172.4173.3179.6164.4-0.6113.2G7 V9 Q90 Y91 D95 M148G7-R93 PolarHBondContact O-NE 3.36Å; G7-R93 PolarHBondContact O-NH1 2.97Å; G7-R93 PolarHBondContact O-NH2 3.34Å; G7-R93 VanDerWaalsContact O-NH2 3.11Å; V9-R93 HydrophobicContact CB-CG 4.41Å; V9-R93 WeakPolarHBondContact CG1-O 3.32Å; V9-R93 HydrophobicContact CG2-CB 4.3Å; V9-R93 HydrophobicContact CG2-CG 4.05Å; Q90-R93 HydrophobicContact CB-CB 4.38Å; Q90-R93 WeakPolarHBondContact O-CB 3.37Å; Q90-R93 PolarHBondContact O-N 2.92Å; Y91-R93 VanDerWaalsContact C-N 3.29Å; Y91-R93 PolarHBondContact O-N 3Å; R93-D95 IonicContact CZ-OD2 3.78Å; R93-D95 IonicContact NE-OD1 2.73Å; R93-D95 IonicContact NE-OD2 3.71Å; R93-D95 PolarHBondContact NE-OD2 3.25Å; R93-D95 IonicContact NH2-OD1 3.41Å; R93-D95 IonicContact NH2-OD2 2.72Å; R93-D95 PolarHBondContact NH2-OD2 3.41Å; R93-M148 WeakPolarHBondContact O-CE 3.38Å
94L98.6Very high97.7Very high0 Ų045 Ų450%021%0.213CC..  trans-144.1130.2165.7179.962.4000109V9 V11 F83 F97 A145 M148 M149 R153V9-L94 HydrophobicContact CG1-CD1 4.42Å; V11-L94 HydrophobicContact CG2-CD1 3.62Å; F83-L94 HydrophobicContact CE1-CD2 4.11Å; L94-F97 HydrophobicContact CD2-CB 4.41Å; L94-F97 HydrophobicContact CD2-CD2 4.41Å; L94-A145 HydrophobicContact CD2-CB 3.94Å; L94-M148 HydrophobicContact CB-CE 4.02Å; L94-M148 HydrophobicContact CB-CG 4.03Å; L94-M148 HydrophobicContact CB-SD 3.96Å; L94-M148 HydrophobicContact CD2-CB 4.45Å; L94-M148 HydrophobicContact CD2-CG 4.5Å; L94-M148 HydrophobicContact CD2-SD 4.14Å; L94-M149 HydrophobicContact CB-CG 4.17Å; L94-M149 HydrophobicContact CD2-CE 3.96Å; L94-M149 HydrophobicContact CD2-CG 4.15Å; L94-M149 HydrophobicContact CG-CE 3.73Å; L94-M149 HydrophobicContact CG-CG 4.07Å; L94-M149 WeakPolarHBondContact O-CG 3.34Å; L94-R153 PolarHBondContact O-NH1 3.29Å
95D98.2Very high97.3Very high1 Ų143.2 Ų43.21%0.00520%0.198CC..  trans-115-45.9-175.4-62.5-58.4000112.6Y8 V9 R93 R153 G187 L188Y8-D95 WeakPolarHBondContact CA-OD2 3.48Å; Y8-D95 HydrophobicContact CD1-CB 3.52Å; Y8-D95 HydrophobicContact CE1-CB 4.22Å; Y8-D95 HydrophobicContact CG-CB 4.21Å; V9-D95 PolarHBondContact N-OD2 2.9Å; V9-D95 PolarHBondContact O-N 3.22Å; R93-D95 IonicContact CZ-OD2 3.78Å; R93-D95 IonicContact NE-OD1 2.73Å; R93-D95 IonicContact NE-OD2 3.71Å; R93-D95 PolarHBondContact NE-OD2 3.25Å; R93-D95 IonicContact NH2-OD1 3.41Å; R93-D95 IonicContact NH2-OD2 2.72Å; R93-D95 PolarHBondContact NH2-OD2 3.41Å; D95-R153 IonicContact OD1-NH2 2.7Å; D95-R153 PolarHBondContact OD1-NH2 2.94Å; D95-G187 CarbonylContact O-C 3.47Å; D95-G187 WeakPolarHBondContact O-CA 3.28Å; D95-L188 PolarHBondContact O-N 3.48Å
96I98.8Very high96.8Very high1 Ų142.9 Ų42.91%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-127.8129.4179.4-51.5-179.5000109.7L5 Y8 V9 C10 V11 L27 V98 L188 I278 A282L5-I96 HydrophobicContact CD1-CD1 4.02Å; L5-I96 HydrophobicContact CD2-CD1 4.41Å; Y8-I96 HydrophobicContact CD1-CD1 4.2Å; Y8-I96 HydrophobicContact CD1-CG1 4.23Å; V9-I96 PolarHBondContact O-N 3.04Å; V9-I96 VanDerWaalsContact O-N 3.15Å; C10-I96 CarbonylContact C-O 3.54Å; C10-I96 WeakPolarHBondContact CA-O 3.35Å; C10-I96 HydrophobicContact CB-CB 4.27Å; V11-I96 PolarHBondContact N-O 2.76Å; L27-I96 HydrophobicContact CD2-CD1 4.18Å; I96-V98 HydrophobicContact CG2-CG2 4.01Å; I96-L188 CarbonylContact C-O 3.56Å; I96-L188 VanDerWaalsContact CA-O 3.28Å; I96-L188 WeakPolarHBondContact CA-O 3.29Å; I96-L188 HydrophobicContact CG1-CB 4.39Å; I96-I278 HydrophobicContact CG2-CG2 3.9Å; I96-A282 HydrophobicContact CD1-CB 3.64Å; I96-A282 HydrophobicContact CG1-CB 4.42Å
97F98.9Very high96.4Very high0 Ų044.3 Ų44.30%021%0.209CC..EExtended strand (participates in β ladder)trans-126122.8174.4-174.7-89.6000110V11 T13 F83 L94 N99 C141 A145 M149 L188 I189 V190V11-F97 HydrophobicContact CB-CD2 3.63Å; V11-F97 HydrophobicContact CB-CE2 3.89Å; V11-F97 HydrophobicContact CG1-CD2 4Å; V11-F97 HydrophobicContact CG1-CE2 3.69Å; V11-F97 HydrophobicContact CG2-CD2 4.13Å; T13-F97 HydrophobicContact CG2-CE2 4.31Å; T13-F97 HydrophobicContact CG2-CZ 3.74Å; F83-F97 HydrophobicContact CE1-CD2 4.2Å; F83-F97 HydrophobicContact CE1-CE2 4.1Å; F83-F97 HydrophobicContact CE2-CE2 4.32Å; F83-F97 AromaticContact CZ-CD2 3.99Å; F83-F97 HydrophobicContact CZ-CD2 3.99Å; F83-F97 AromaticContact CZ-CE2 3.48Å; F83-F97 HydrophobicContact CZ-CE2 3.48Å; F83-F97 VanDerWaalsContact CZ-CE2 3.48Å; F83-F97 AromaticContact CZ-CZ 3.95Å; F83-F97 HydrophobicContact CZ-CZ 3.95Å; L94-F97 HydrophobicContact CD2-CB 4.41Å; L94-F97 HydrophobicContact CD2-CD2 4.41Å; F97-N99 WeakPolarHBondContact CE1-OD1 3.43Å; F97-C141 HydrophobicContact CE1-CB 3.54Å; F97-C141 HydrophobicContact CZ-CB 3.45Å; F97-C141 VanDerWaalsContact CZ-CB 3.45Å; F97-A145 HydrophobicContact CB-CB 3.91Å; F97-A145 HydrophobicContact CD1-CB 3.97Å; F97-A145 HydrophobicContact CD2-CB 3.98Å; F97-A145 HydrophobicContact CG-CB 3.65Å; F97-M149 HydrophobicContact CB-CE 3.73Å; F97-L188 PolarHBondContact N-O 2.92Å; F97-I189 HydrophobicContact CB-CG1 4.44Å; F97-I189 CarbonylContact O-C 3.56Å; F97-I189 WeakPolarHBondContact O-CA 3.5Å; F97-V190 PolarHBondContact O-N 3.44Å
98V98.9Very high96Very high0 Ų040.9 Ų40.90%019%0.193CC..EExtended strand (participates in β ladder)trans-116.4111.8-177.3-171.70000110.5V11 V12 T13 I23 L27 I96 C100 V190 I192 I278V11-V98 PolarHBondContact O-N 3.36Å; V12-V98 HydrophobicContact CG1-CB 4.39Å; V12-V98 HydrophobicContact CG2-CB 4.27Å; V12-V98 HydrophobicContact CG2-CG2 4.25Å; T13-V98 PolarHBondContact N-O 3.04Å; T13-V98 PolarHBondContact OG1-O 3.38Å; I23-V98 HydrophobicContact CD1-CG1 4.02Å; I23-V98 HydrophobicContact CG2-CB 4.49Å; I23-V98 HydrophobicContact CG2-CG1 4.17Å; I23-V98 HydrophobicContact CG2-CG2 4.1Å; L27-V98 HydrophobicContact CD1-CG2 4.39Å; I96-V98 HydrophobicContact CG2-CG2 4.01Å; V98-C100 HydrophobicContact CG1-CB 4.23Å; V98-C100 PolarHBondContact O-N 3.28Å; V98-V190 CarbonylContact C-O 3.5Å; V98-V190 WeakPolarHBondContact CA-O 3.32Å; V98-V190 HydrophobicContact CB-CB 4.5Å; V98-V190 HydrophobicContact CG1-CB 4.23Å; V98-V190 HydrophobicContact CG1-CG1 4.3Å; V98-V190 HydrophobicContact CG2-CB 4.23Å; V98-I192 HydrophobicContact CG1-CD1 4.21Å; V98-I192 HydrophobicContact CG1-CG1 4.04Å; V98-I278 HydrophobicContact CG1-CD1 4.41Å; V98-I278 HydrophobicContact CG2-CD1 4.22Å
99N98.8Very high95.3Very high9 Ų934.5 Ų34.55%0.04817%0.168CC..EExtended strand (participates in β ladder)trans-79.399.3168.3-88-43.6000110.3T13 F97 A138 C141 N142 V190 N191 I192T13-N99 WeakPolarHBondContact OG1-CA 3.49Å; F97-N99 WeakPolarHBondContact CE1-OD1 3.43Å; N99-A138 HydrophobicContact CB-CB 4.17Å; N99-A138 PolarHBondContact ND2-O 3.48Å; N99-A138 VanDerWaalsContact ND2-O 3.08Å; N99-A138 WeakPolarHBondContact OD1-CA 3.28Å; N99-C141 WeakPolarHBondContact OD1-CB 3.47Å; N99-N142 PolarHBondContact ND2-OD1 3.25Å; N99-V190 PolarHBondContact N-O 3.49Å; N99-N191 WeakPolarHBondContact CB-OD1 3.48Å; N99-N191 PolarHBondContact ND2-OD1 3.04Å; N99-I192 WeakPolarHBondContact O-CB 3.43Å; N99-I192 WeakPolarHBondContact O-CG1 3.3Å; N99-I192 PolarHBondContact O-N 3.12Å
100C98.1Very high94.7Very high21 Ų2137.2 Ų37.214%0.14218%0.184CC..  trans-129.8-10.1178-170.80000113.9T13 V19 G20 V98 F102 I192T13-C100 CarbonylContact O-C 3.55Å; T13-C100 VanDerWaalsContact O-C 3.31Å; T13-C100 VanDerWaalsContact O-CB 3.26Å; T13-C100 WeakPolarHBondContact O-CB 3.26Å; T13-C100 PolarHBondContact OG1-N 2.87Å; V19-C100 VanDerWaalsContact CG1-SG 3.6Å; G20-C100 VanDerWaalsContact CA-SG 3.54Å; G20-C100 PolarHBondContact N-SG 3.46Å; G20-C100 VanDerWaalsContact N-SG 3.36Å; V98-C100 HydrophobicContact CG1-CB 4.23Å; V98-C100 PolarHBondContact O-N 3.28Å; C100-F102 PolarHBondContact O-N 3.48Å; C100-I192 HydrophobicContact CB-CB 4.39Å; C100-I192 HydrophobicContact CB-CG1 3.76Å
101A97.7Very high93.9Very high13 Ų1336.7 Ų36.711%0.10718%0.183CC..  trans-58.4132.8177.100000111.6T13 H73 V133T13-A101 PolarHBondContact O-N 3.2Å; T13-A101 VanDerWaalsContact O-N 3.09Å; T13-A101 WeakPolarHBondContact OG1-CB 3.33Å; T13-A101 PolarHBondContact OG1-N 3.43Å; H73-A101 HydrophobicContact CB-CB 4.23Å; A101-V133 HydrophobicContact CB-CG1 3.69Å
102F96.5Very high92.8Very high52 Ų5228.5 Ų28.523%0.22815%0.153CC..  trans-153.1134.6-179.9-168.8-113.1000110.3C100 A104 L108 I130 F206C100-F102 PolarHBondContact O-N 3.48Å; F102-A104 HydrophobicContact CE1-CB 3.8Å; F102-A104 HydrophobicContact CZ-CB 3.73Å; F102-L108 HydrophobicContact CE1-CD1 3.71Å; F102-L108 HydrophobicContact CZ-CD1 3.72Å; F102-I130 HydrophobicContact CE2-CG2 4.18Å; F102-I130 VanDerWaalsContact CE2-O 3.26Å; F102-I130 WeakPolarHBondContact CE2-O 3.39Å; F102-I130 HydrophobicContact CZ-CG2 4.14Å; F102-F206 HydrophobicContact CE1-CE2 4.37Å; F102-F206 HydrophobicContact CE2-CD2 4.33Å; F102-F206 HydrophobicContact CE2-CE2 4.39Å; F102-F206 AromaticContact CZ-CD2 3.77Å; F102-F206 HydrophobicContact CZ-CD2 3.77Å; F102-F206 AromaticContact CZ-CE2 3.91Å; F102-F206 HydrophobicContact CZ-CE2 3.91Å
103S94.5Very high91.8Very high50 Ų5032 Ų3235%0.3517%0.171SC..SBendtrans-102.4-15.3-170.8390000114.7L129S103-L129 PolarHBondContact OG-O 3.41Å
104A93.8Very high90.9Very high1 Ų131.5 Ų31.51%0.00818%0.176CC..  trans-106.518.1-168.600000114.8F102 D106 Y107 L108 L129 I130F102-A104 HydrophobicContact CE1-CB 3.8Å; F102-A104 HydrophobicContact CZ-CB 3.73Å; A104-D106 PolarHBondContact O-N 2.85Å; A104-Y107 PolarHBondContact O-N 3.25Å; A104-L108 HydrophobicContact CB-CG 4.41Å; A104-L108 WeakPolarHBondContact O-CG 3.34Å; A104-L108 PolarHBondContact O-N 2.84Å; A104-L129 HydrophobicContact CB-CG 3.91Å; A104-I130 HydrophobicContact CB-CB 4.25Å; A104-I130 HydrophobicContact CB-CG1 3.56Å
105T90.3Very high90.4Very high42 Ų4233.7 Ų33.726%0.25819%0.19SC..Hα-helixtrans-54.1-55.4-176-55.90000111.8Y107 L108 L109T105-Y107 VanDerWaalsContact C-N 3.34Å; T105-Y107 PolarHBondContact O-N 3.11Å; T105-L108 PolarHBondContact O-N 3.35Å; T105-L109 HydrophobicContact CG2-CD1 4.19Å; T105-L109 WeakPolarHBondContact O-CG 3.21Å; T105-L109 PolarHBondContact O-N 3.2Å; T105-L109 VanDerWaalsContact O-N 3.11Å
106D88.4Confident90Very high88 Ų8840.6 Ų40.647%0.47122%0.217SC..Hα-helixtrans-65.5-41.3-174.7-51.7-25.5000110.6A104 L108 L109 D110A104-D106 PolarHBondContact O-N 2.85Å; D106-L108 PolarHBondContact O-N 2.96Å; D106-L109 PolarHBondContact O-N 2.8Å; D106-D110 PolarHBondContact O-N 2.99Å
107Y90.8Very high89.7Confident31 Ų3148.8 Ų48.812%0.12225%0.248CC..Hα-helixtrans-57.8-43.2175.5175-95.6000113.5A104 T105 D110 N111 S119 L121 E126 L129 I130A104-Y107 PolarHBondContact O-N 3.25Å; T105-Y107 VanDerWaalsContact C-N 3.34Å; T105-Y107 PolarHBondContact O-N 3.11Å; Y107-D110 PolarHBondContact O-N 2.89Å; Y107-N111 WeakPolarHBondContact CD2-ND2 3.08Å; Y107-N111 HydrophobicContact CE1-CB 4.49Å; Y107-N111 HydrophobicContact CE2-CB 4.27Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.33Å; Y107-N111 WeakPolarHBondContact O-CB 3.48Å; Y107-N111 PolarHBondContact O-N 2.87Å; Y107-N111 PolarHBondContact O-ND2 2.86Å; Y107-N111 VanDerWaalsContact O-ND2 3.12Å; Y107-S119 PolarHBondContact OH-OG 2.67Å; Y107-L121 HydrophobicContact CD2-CD1 3.99Å; Y107-L121 HydrophobicContact CE2-CD1 3.56Å; Y107-L121 HydrophobicContact CE2-CG 3.98Å; Y107-E126 HydrophobicContact CE1-CG 4.02Å; Y107-E126 PolarHBondContact OH-OE1 2.88Å; Y107-L129 HydrophobicContact CD1-CD2 4.04Å; Y107-L129 HydrophobicContact CD2-CD2 3.87Å; Y107-L129 HydrophobicContact CG-CD2 3.58Å; Y107-I130 HydrophobicContact CD1-CD1 4.35Å; Y107-I130 HydrophobicContact CE1-CD1 4.12Å
108L89.5Confident89.3Confident5 Ų554.2 Ų54.23%0.02627%0.274CS..Hα-helixtrans-72.7-28.7179.2-68.2-179.5000113F102 A104 T105 D106 N112 I130 F202 F206F102-L108 HydrophobicContact CE1-CD1 3.71Å; F102-L108 HydrophobicContact CZ-CD1 3.72Å; A104-L108 HydrophobicContact CB-CG 4.41Å; A104-L108 WeakPolarHBondContact O-CG 3.34Å; A104-L108 PolarHBondContact O-N 2.84Å; T105-L108 PolarHBondContact O-N 3.35Å; D106-L108 PolarHBondContact O-N 2.96Å; L108-N112 PolarHBondContact O-N 2.77Å; L108-I130 HydrophobicContact CD2-CD1 3.9Å; L108-I130 HydrophobicContact CD2-CG1 4.35Å; L108-F202 HydrophobicContact CB-CD1 4.15Å; L108-F202 HydrophobicContact CB-CG 4.28Å; L108-F202 HydrophobicContact CD1-CD2 4.27Å; L108-F202 HydrophobicContact CD1-CG 4.37Å; L108-F202 HydrophobicContact CD2-CB 4.09Å; L108-F206 HydrophobicContact CD1-CB 4.19Å; L108-F206 HydrophobicContact CD1-CD2 3.35Å; L108-F206 HydrophobicContact CD1-CE2 3.85Å; L108-F206 HydrophobicContact CD1-CG 3.88Å; L108-F206 HydrophobicContact CD2-CB 4.23Å
109L84.1Confident88.8Confident42 Ų4255.5 Ų55.522%0.2228%0.283CS..Hα-helixtrans-69.1-42.3173-66.7175.6000110.6T105 D106 L256T105-L109 HydrophobicContact CG2-CD1 4.19Å; T105-L109 WeakPolarHBondContact O-CG 3.21Å; T105-L109 PolarHBondContact O-N 3.2Å; T105-L109 VanDerWaalsContact O-N 3.11Å; D106-L109 PolarHBondContact O-N 2.8Å; L109-L256 HydrophobicContact CD2-CD1 3.36Å; L109-L256 HydrophobicContact CD2-CD2 4.46Å; L109-L256 HydrophobicContact CD2-CG 4.33Å
110D84.1Confident88.3Confident129 Ų12963.7 Ų63.769%0.6932%0.318SS*.Hα-helixtrans-77.9-31.2-178.3-69.1-15.5000113.7D106 Y107D106-D110 PolarHBondContact O-N 2.99Å; Y107-D110 PolarHBondContact O-N 2.89Å
111N81.5Confident88Confident24 Ų2465.5 Ų65.513%0.12833%0.326CS..THydrogen-bonded Turntrans-117.947.5-175.5-58.4-84.6000111.8Y107Y107-N111 WeakPolarHBondContact CD2-ND2 3.08Å; Y107-N111 HydrophobicContact CE1-CB 4.49Å; Y107-N111 HydrophobicContact CE2-CB 4.27Å; Y107-N111 WeakPolarHBondContact CE2-ND2 3.33Å; Y107-N111 WeakPolarHBondContact O-CB 3.48Å; Y107-N111 PolarHBondContact O-N 2.87Å; Y107-N111 PolarHBondContact O-ND2 2.86Å; Y107-N111 VanDerWaalsContact O-ND2 3.12Å
112N73.2Confident87.9Confident31 Ų3173.1 Ų73.117%0.16635%0.352CS..  trans-75.1135.7177.5-165.54.8000110.9L108 S114 F202 K257L108-N112 PolarHBondContact O-N 2.77Å; N112-S114 VanDerWaalsContact C-N 3.33Å; N112-S114 PolarHBondContact O-N 3.16Å; N112-F202 WeakPolarHBondContact OD1-CA 3.44Å; N112-K257 PolarHBondContact ND2-O 3.16Å
113N74.7Confident87.8Confident76 Ų7675.9 Ų75.941%0.40638%0.375SS..SBendtrans68.5-0174.1-59-39000119.2
114S80.2Confident87.9Confident45 Ų4578.1 Ų78.132%0.31538%0.383SS..  trans-55.1140.5173.2-590000111.4N112 R200N112-S114 VanDerWaalsContact C-N 3.33Å; N112-S114 PolarHBondContact O-N 3.16Å; S114-R200 PolarHBondContact O-NH2 3.41Å
115P87.6Confident88Confident47 Ų4782 Ų8231%0.30540%0.401SS..  trans-53.1142.7168.3-23.633.7000110.2W117 E118P115-W117 HydrophobicContact CB-CD2 3.96Å; P115-W117 HydrophobicContact CB-CE3 4.27Å; P115-W117 HydrophobicContact CB-CH2 3.95Å; P115-W117 HydrophobicContact CB-CZ2 3.57Å; P115-W117 HydrophobicContact CB-CZ3 4.28Å; P115-W117 HydrophobicContact CG-CZ2 4.3Å; P115-W117 PolarHBondContact O-N 2.91Å; P115-W117 VanDerWaalsContact O-N 3.09Å; P115-E118 HydrophobicContact CB-CB 4.45Å; P115-E118 HydrophobicContact CB-CG 4.19Å; P115-E118 HydrophobicContact CG-CG 4.4Å; P115-E118 PolarHBondContact O-N 2.75Å
116Y89.4Confident88.3Confident146 Ų14681 Ų8157%0.57339%0.393SS*.THydrogen-bonded Turntrans-65.3-20.7-169.872.1-96000113.8V204Y116-V204 HydrophobicContact CD1-CG2 4.11Å; Y116-V204 HydrophobicContact CG-CG2 4.11Å
117W92.2Very high88.6Confident173 Ų17382.3 Ų82.366%0.65539%0.392SS*.THydrogen-bonded Turntrans-86.6-5.7175.659.783.7000113.6P115P115-W117 HydrophobicContact CB-CD2 3.96Å; P115-W117 HydrophobicContact CB-CE3 4.27Å; P115-W117 HydrophobicContact CB-CH2 3.95Å; P115-W117 HydrophobicContact CB-CZ2 3.57Å; P115-W117 HydrophobicContact CB-CZ3 4.28Å; P115-W117 HydrophobicContact CG-CZ2 4.3Å; P115-W117 PolarHBondContact O-N 2.91Å; P115-W117 VanDerWaalsContact O-N 3.09Å
118E90.9Very high89Confident113 Ų11383.4 Ų83.453%0.52840%0.4SS..  trans-108.120.6-177.9-61.9178.2-167.500112.5P115P115-E118 HydrophobicContact CB-CB 4.45Å; P115-E118 HydrophobicContact CB-CG 4.19Å; P115-E118 HydrophobicContact CG-CG 4.4Å; P115-E118 PolarHBondContact O-N 2.75Å
119S89Confident89.3Confident27 Ų2786 Ų8619%0.18941%0.413CS..  trans-62.3138.8174-165.80000110.7Y107 L121 E126Y107-S119 PolarHBondContact OH-OG 2.67Å; S119-L121 PolarHBondContact O-N 2.76Å; S119-E126 VanDerWaalsContact CB-OE1 3.23Å; S119-E126 WeakPolarHBondContact CB-OE1 3.37Å; S119-E126 PolarHBondContact OG-OE1 3.08Å
120K87.8Confident89.9Confident182 Ų18284 Ų8479%0.79140%0.403SS*.SBendtrans-70.7-18.8174-66.7177.9-179.4170.40112.8
121L92.8Very high90.6Very high59 Ų5978.1 Ų78.131%0.30937%0.371SS..SBendtrans-94.6158.4177-64.8-179.5000110.2Y107 S119 E125 E126 L129Y107-L121 HydrophobicContact CD2-CD1 3.99Å; Y107-L121 HydrophobicContact CE2-CD1 3.56Å; Y107-L121 HydrophobicContact CE2-CG 3.98Å; S119-L121 PolarHBondContact O-N 2.76Å; L121-E125 HydrophobicContact CB-CB 4.17Å; L121-E126 HydrophobicContact CB-CB 4.19Å; L121-L129 HydrophobicContact CD1-CD2 3.76Å
122R94.7Very high91.4Very high172 Ų17281.7 Ų81.765%0.64938%0.383SS*.  trans-63.6150.4169.2-62.4178.8175.2-177.5-0.3109.7N124 E125 E126R122-N124 VanDerWaalsContact C-N 3.26Å; R122-N124 WeakPolarHBondContact CB-OD1 3.22Å; R122-N124 PolarHBondContact O-N 3.15Å; R122-N124 VanDerWaalsContact O-N 3.14Å; R122-E125 HydrophobicContact CB-CB 4.36Å; R122-E125 HydrophobicContact CB-CG 4.04Å; R122-E125 WeakPolarHBondContact CB-OE2 3.36Å; R122-E125 WeakPolarHBondContact CG-OE2 3.48Å; R122-E125 PolarHBondContact N-OE2 3.12Å; R122-E125 WeakPolarHBondContact O-CB 3.47Å; R122-E125 PolarHBondContact O-N 2.87Å; R122-E126 PolarHBondContact O-N 2.98Å
123P94.4Very high92.6Very high111 Ų11181 Ų8172%0.72138%0.38SS*.Hα-helixtrans-52.7-40.3-177.8-3035.8000114.5W127P123-W127 WeakPolarHBondContact O-CB 3.29Å; P123-W127 PolarHBondContact O-N 3.21Å; P123-W127 VanDerWaalsContact O-N 3.13Å
124N96.5Very high93.7Very high96 Ų9677.7 Ų77.751%0.51336%0.364SS..Hα-helixtrans-68.9-35.7176.963.5-71.9000112.7R122 D128R122-N124 VanDerWaalsContact C-N 3.26Å; R122-N124 WeakPolarHBondContact CB-OD1 3.22Å; R122-N124 PolarHBondContact O-N 3.15Å; R122-N124 VanDerWaalsContact O-N 3.14Å; N124-D128 VanDerWaalsContact O-CB 3.29Å; N124-D128 WeakPolarHBondContact O-CB 3.37Å; N124-D128 VanDerWaalsContact O-CG 3.31Å; N124-D128 PolarHBondContact O-N 2.7Å
125E96.4Very high94.5Very high82 Ų8276.7 Ų76.738%0.38336%0.355SS..Hα-helixtrans-71-44.6-179.8-66.6167.9170.700111.1L121 R122 D128 L129L121-E125 HydrophobicContact CB-CB 4.17Å; R122-E125 HydrophobicContact CB-CB 4.36Å; R122-E125 HydrophobicContact CB-CG 4.04Å; R122-E125 WeakPolarHBondContact CB-OE2 3.36Å; R122-E125 WeakPolarHBondContact CG-OE2 3.48Å; R122-E125 PolarHBondContact N-OE2 3.12Å; R122-E125 WeakPolarHBondContact O-CB 3.47Å; R122-E125 PolarHBondContact O-N 2.87Å; E125-D128 PolarHBondContact O-N 3.09Å; E125-L129 WeakPolarHBondContact O-CB 3.42Å; E125-L129 PolarHBondContact O-N 2.79Å
126E95.2Very high95.1Very high22 Ų2279.8 Ų79.810%0.10336%0.361CS..Hα-helixtrans-60.5-48.3174.7-177-173.1-108.800110.7Y107 S119 L121 R122 D128 L129 I130 N203Y107-E126 HydrophobicContact CE1-CG 4.02Å; Y107-E126 PolarHBondContact OH-OE1 2.88Å; S119-E126 VanDerWaalsContact CB-OE1 3.23Å; S119-E126 WeakPolarHBondContact CB-OE1 3.37Å; S119-E126 PolarHBondContact OG-OE1 3.08Å; L121-E126 HydrophobicContact CB-CB 4.19Å; R122-E126 PolarHBondContact O-N 2.98Å; E126-D128 PolarHBondContact O-N 3.24Å; E126-L129 PolarHBondContact O-N 3.31Å; E126-I130 HydrophobicContact CG-CD1 3.9Å; E126-I130 WeakPolarHBondContact O-CG1 3.34Å; E126-I130 PolarHBondContact O-N 2.88Å; E126-N203 PolarHBondContact OE1-ND2 3.4Å
127W96.7Very high95.5Very high115 Ų11572.9 Ų72.944%0.43633%0.334SS..Hα-helixtrans-59-49.5179.7179.6-92.4000111.5P123 I130 N131 A205 A208P123-W127 WeakPolarHBondContact O-CB 3.29Å; P123-W127 PolarHBondContact O-N 3.21Å; P123-W127 VanDerWaalsContact O-N 3.13Å; W127-I130 PolarHBondContact O-N 3.49Å; W127-N131 HydrophobicContact CD2-CB 4.37Å; W127-N131 WeakPolarHBondContact CH2-ND2 3.38Å; W127-N131 HydrophobicContact CZ2-CB 4.2Å; W127-N131 VanDerWaalsContact CZ3-ND2 3.35Å; W127-N131 WeakPolarHBondContact CZ3-ND2 3.45Å; W127-N131 WeakPolarHBondContact O-CB 3.49Å; W127-N131 PolarHBondContact O-N 2.79Å; W127-A205 HydrophobicContact CE3-CB 3.99Å; W127-A205 HydrophobicContact CZ3-CB 4.41Å; W127-A208 HydrophobicContact CH2-CB 4.34Å; W127-A208 HydrophobicContact CZ3-CB 4.19Å
128D97.9Very high95.8Very high55 Ų5564.9 Ų64.929%0.29430%0.304SS..Hα-helixtrans-66.8-40.7-178.6-79-14.7000112.1N124 E125 E126 I130 R132N124-D128 VanDerWaalsContact O-CB 3.29Å; N124-D128 WeakPolarHBondContact O-CB 3.37Å; N124-D128 VanDerWaalsContact O-CG 3.31Å; N124-D128 PolarHBondContact O-N 2.7Å; E125-D128 PolarHBondContact O-N 3.09Å; E126-D128 PolarHBondContact O-N 3.24Å; D128-I130 PolarHBondContact O-N 3.03Å; D128-R132 VanDerWaalsContact CG-NH2 3.3Å; D128-R132 WeakPolarHBondContact O-CB 3.36Å; D128-R132 PolarHBondContact O-N 3.44Å; D128-R132 IonicContact OD1-NH2 2.76Å; D128-R132 IonicContact OD2-CZ 2.75Å; D128-R132 IonicContact OD2-NE 2.79Å; D128-R132 IonicContact OD2-NH2 3.56Å; D128-R132 PolarHBondContact OD2-NH2 2.94Å
129L96.8Very high96.2Very high58 Ų5865.5 Ų65.530%0.30430%0.303SS..Hα-helixtrans-55.3-39.9176.8178.360.1000111.5S103 A104 Y107 L121 E125 E126S103-L129 PolarHBondContact OG-O 3.41Å; A104-L129 HydrophobicContact CB-CG 3.91Å; Y107-L129 HydrophobicContact CD1-CD2 4.04Å; Y107-L129 HydrophobicContact CD2-CD2 3.87Å; Y107-L129 HydrophobicContact CG-CD2 3.58Å; L121-L129 HydrophobicContact CD1-CD2 3.76Å; E125-L129 WeakPolarHBondContact O-CB 3.42Å; E125-L129 PolarHBondContact O-N 2.79Å; E126-L129 PolarHBondContact O-N 3.31Å
130I96.3Very high96.7Very high0 Ų065.9 Ų65.90%030%0.302CS..Hα-helixtrans-86.3-48.9-176.8-66.5166.9000112F102 A104 Y107 L108 E126 W127 D128 N203 A205 F206F102-I130 HydrophobicContact CE2-CG2 4.18Å; F102-I130 VanDerWaalsContact CE2-O 3.26Å; F102-I130 WeakPolarHBondContact CE2-O 3.39Å; F102-I130 HydrophobicContact CZ-CG2 4.14Å; A104-I130 HydrophobicContact CB-CB 4.25Å; A104-I130 HydrophobicContact CB-CG1 3.56Å; Y107-I130 HydrophobicContact CD1-CD1 4.35Å; Y107-I130 HydrophobicContact CE1-CD1 4.12Å; L108-I130 HydrophobicContact CD2-CD1 3.9Å; L108-I130 HydrophobicContact CD2-CG1 4.35Å; E126-I130 HydrophobicContact CG-CD1 3.9Å; E126-I130 WeakPolarHBondContact O-CG1 3.34Å; E126-I130 PolarHBondContact O-N 2.88Å; W127-I130 PolarHBondContact O-N 3.49Å; D128-I130 PolarHBondContact O-N 3.03Å; I130-N203 VanDerWaalsContact CD1-ND2 3.29Å; I130-N203 WeakPolarHBondContact CD1-ND2 3.34Å; I130-A205 HydrophobicContact CD1-CB 3.72Å; I130-F206 HydrophobicContact CG2-CB 4.19Å; I130-F206 HydrophobicContact CG2-CD2 4.43Å
131N98.3Very high97.2Very high6 Ų657.2 Ų57.23%0.03227%0.265CS..Hα-helixtrans-103.7-12.7-163.9-71.8-44.9000114.5W127 L135 R136 A205 G209W127-N131 HydrophobicContact CD2-CB 4.37Å; W127-N131 WeakPolarHBondContact CH2-ND2 3.38Å; W127-N131 HydrophobicContact CZ2-CB 4.2Å; W127-N131 VanDerWaalsContact CZ3-ND2 3.35Å; W127-N131 WeakPolarHBondContact CZ3-ND2 3.45Å; W127-N131 WeakPolarHBondContact O-CB 3.49Å; W127-N131 PolarHBondContact O-N 2.79Å; N131-L135 HydrophobicContact CB-CB 4.12Å; N131-L135 HydrophobicContact CB-CD2 4.4Å; N131-L135 WeakPolarHBondContact O-CB 3.29Å; N131-L135 PolarHBondContact O-N 3.25Å; N131-L135 VanDerWaalsContact O-N 3.15Å; N131-R136 PolarHBondContact O-N 3.31Å; N131-A205 PolarHBondContact ND2-O 3.36Å; N131-G209 WeakPolarHBondContact OD1-CA 3.18Å
132R98.4Very high97.5Very high100 Ų10054.4 Ų54.438%0.37725%0.25SC..Iπ-helixtrans-62.2-49.4177.4-175.3174.5-71.8-95.10.3111.7D128 R136 N137D128-R132 VanDerWaalsContact CG-NH2 3.3Å; D128-R132 WeakPolarHBondContact O-CB 3.36Å; D128-R132 PolarHBondContact O-N 3.44Å; D128-R132 IonicContact OD1-NH2 2.76Å; D128-R132 IonicContact OD2-CZ 2.75Å; D128-R132 IonicContact OD2-NE 2.79Å; D128-R132 IonicContact OD2-NH2 3.56Å; D128-R132 PolarHBondContact OD2-NH2 2.94Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R132-N137 PolarHBondContact O-N 3.26Å
133V98.4Very high97.7Very high15 Ų1548.2 Ų48.29%0.09123%0.231CC..Iπ-helixtrans-87.9-45.5178.6179.30000111.5H73 A101 L135 N137H73-V133 HydrophobicContact CB-CG1 3.87Å; A101-V133 HydrophobicContact CB-CG1 3.69Å; V133-L135 PolarHBondContact O-N 3.47Å; V133-N137 WeakPolarHBondContact O-CB 3.31Å
134G97Very high97.9Very high8 Ų845 Ų458%0.08221%0.207CC..Iπ-helixtrans-75.5-16.2-171.800000116.1
135L98.6Very high98Very high23 Ų2340.4 Ų40.412%0.1218%0.183CC..Iπ-helixtrans-131-61.1-178173.264.3000111.9N131 V133 A138 Y139 L213 I216N131-L135 HydrophobicContact CB-CB 4.12Å; N131-L135 HydrophobicContact CB-CD2 4.4Å; N131-L135 WeakPolarHBondContact O-CB 3.29Å; N131-L135 PolarHBondContact O-N 3.25Å; N131-L135 VanDerWaalsContact O-N 3.15Å; V133-L135 PolarHBondContact O-N 3.47Å; L135-A138 WeakPolarHBondContact O-CB 3.45Å; L135-A138 PolarHBondContact O-N 3.34Å; L135-Y139 PolarHBondContact O-N 3.49Å; L135-L213 HydrophobicContact CD1-CB 4.2Å; L135-I216 HydrophobicContact CD1-CD1 3.82Å
136R98.6Very high98.1Very high112 Ų11237.4 Ų37.442%0.42317%0.17SC..Iπ-helixtrans-61.2-51.6-175.7178.2-173.6177.6-78-2.8111D76 N131 R132 A138 Y139 I140D76-R136 IonicContact OD1-CZ 2.63Å; D76-R136 IonicContact OD1-NH1 3.52Å; D76-R136 PolarHBondContact OD1-NH1 2.95Å; D76-R136 IonicContact OD1-NH2 3.92Å; D76-R136 IonicContact OD2-CZ 3.25Å; D76-R136 IonicContact OD2-NH1 2.91Å; D76-R136 PolarHBondContact OD2-NH1 3.41Å; D76-R136 VanDerWaalsContact OD2-NH1 3.17Å; D76-R136 IonicContact OD2-NH2 3.66Å; D76-R136 PolarHBondContact OD2-NH2 3.43Å; N131-R136 PolarHBondContact O-N 3.31Å; R132-R136 WeakPolarHBondContact O-CB 3.47Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-A138 PolarHBondContact O-N 2.87Å; R136-Y139 WeakPolarHBondContact O-CB 3.47Å; R136-Y139 PolarHBondContact O-N 3.42Å; R136-I140 HydrophobicContact CG-CD1 4.48Å; R136-I140 PolarHBondContact O-N 2.8Å
137N98.7Very high98.3Very high2 Ų244.5 Ų44.51%0.01120%0.196CC..Iπ-helixtrans-62.4-41174.9170.270.1000112.4H73 V79 R132 V133 Y139 I140 C141H73-N137 WeakPolarHBondContact CB-ND2 3.44Å; H73-N137 PolarHBondContact ND1-ND2 3.28Å; H73-N137 VanDerWaalsContact ND1-ND2 3.11Å; H73-N137 WeakPolarHBondContact O-CB 3.33Å; H73-N137 PolarHBondContact O-OD1 3.47Å; V79-N137 VanDerWaalsContact CG2-OD1 3.28Å; V79-N137 WeakPolarHBondContact CG2-OD1 3.25Å; R132-N137 PolarHBondContact O-N 3.26Å; V133-N137 WeakPolarHBondContact O-CB 3.31Å; N137-Y139 PolarHBondContact O-N 3.16Å; N137-I140 PolarHBondContact O-N 3.49Å; N137-C141 WeakPolarHBondContact O-CB 3.45Å; N137-C141 PolarHBondContact O-N 3.3Å
138A98.7Very high98.3Very high4 Ų439.8 Ų39.83%0.03318%0.179CC..Hα-helixtrans-55.7-40.2176.800000112N99 L135 R136 N142 L213N99-A138 HydrophobicContact CB-CB 4.17Å; N99-A138 PolarHBondContact ND2-O 3.48Å; N99-A138 VanDerWaalsContact ND2-O 3.08Å; N99-A138 WeakPolarHBondContact OD1-CA 3.28Å; L135-A138 WeakPolarHBondContact O-CB 3.45Å; L135-A138 PolarHBondContact O-N 3.34Å; R136-A138 VanDerWaalsContact C-N 3.34Å; R136-A138 PolarHBondContact O-N 2.87Å; A138-N142 VanDerWaalsContact O-CB 3.25Å; A138-N142 WeakPolarHBondContact O-CB 3.34Å; A138-N142 PolarHBondContact O-N 3Å; A138-N142 PolarHBondContact O-ND2 3.33Å; A138-N142 VanDerWaalsContact O-ND2 3.14Å; A138-L213 HydrophobicContact CB-CD1 3.86Å
139Y98.8Very high98.4Very high127 Ų12737.2 Ų37.250%0.49817%0.165SC..Hα-helixtrans-62.5-46.4172.6175.8-105000113L135 R136 N137 C141 N142 V143 I216L135-Y139 PolarHBondContact O-N 3.49Å; R136-Y139 WeakPolarHBondContact O-CB 3.47Å; R136-Y139 PolarHBondContact O-N 3.42Å; N137-Y139 PolarHBondContact O-N 3.16Å; Y139-C141 PolarHBondContact O-N 3.37Å; Y139-N142 WeakPolarHBondContact O-CB 3.49Å; Y139-N142 PolarHBondContact O-N 2.91Å; Y139-V143 HydrophobicContact CE1-CG2 4.26Å; Y139-V143 HydrophobicContact CE2-CG2 4.15Å; Y139-V143 WeakPolarHBondContact O-CG2 3.41Å; Y139-V143 PolarHBondContact O-N 3.28Å; Y139-I216 HydrophobicContact CD2-CD1 4.22Å; Y139-I216 HydrophobicContact CD2-CG1 4.5Å; Y139-I216 HydrophobicContact CD2-CG2 4.14Å
140I98.8Very high98.4Very high35 Ų3536.2 Ų36.218%0.17916%0.159CC..Hα-helixtrans-59.9-49.5177.5-66.6170.2000110.5D76 V79 R136 N137 N142 V143 L144D76-I140 WeakPolarHBondContact OD1-CD1 3.47Å; V79-I140 HydrophobicContact CG1-CG2 4.15Å; R136-I140 HydrophobicContact CG-CD1 4.48Å; R136-I140 PolarHBondContact O-N 2.8Å; N137-I140 PolarHBondContact O-N 3.49Å; I140-N142 VanDerWaalsContact C-N 3.3Å; I140-N142 PolarHBondContact O-N 3.27Å; I140-V143 PolarHBondContact O-N 2.99Å; I140-L144 HydrophobicContact CG2-CD1 3.95Å; I140-L144 HydrophobicContact CG2-CG 4.48Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.15Å
141C98.9Very high98.4Very high0 Ų040.9 Ų40.90%018%0.18CC..Hα-helixtrans-57.5-42.3175.3-77.90000112.3F97 N99 N137 Y139 V143 L144 A145F97-C141 HydrophobicContact CE1-CB 3.54Å; F97-C141 HydrophobicContact CZ-CB 3.45Å; F97-C141 VanDerWaalsContact CZ-CB 3.45Å; N99-C141 WeakPolarHBondContact OD1-CB 3.47Å; N137-C141 WeakPolarHBondContact O-CB 3.45Å; N137-C141 PolarHBondContact O-N 3.3Å; Y139-C141 PolarHBondContact O-N 3.37Å; C141-V143 PolarHBondContact O-N 3.42Å; C141-L144 PolarHBondContact O-N 3.11Å; C141-A145 WeakPolarHBondContact O-CB 3.27Å; C141-A145 PolarHBondContact O-N 3.37Å
142N98.9Very high98.3Very high0 Ų041 Ų410%018%0.181CC..Hα-helixtrans-58.5-45.1176.1-82.8-22.7000111.9N99 A138 Y139 I140 T146 I189 N191 M220N99-N142 PolarHBondContact ND2-OD1 3.25Å; A138-N142 VanDerWaalsContact O-CB 3.25Å; A138-N142 WeakPolarHBondContact O-CB 3.34Å; A138-N142 PolarHBondContact O-N 3Å; A138-N142 PolarHBondContact O-ND2 3.33Å; A138-N142 VanDerWaalsContact O-ND2 3.14Å; Y139-N142 WeakPolarHBondContact O-CB 3.49Å; Y139-N142 PolarHBondContact O-N 2.91Å; I140-N142 VanDerWaalsContact C-N 3.3Å; I140-N142 PolarHBondContact O-N 3.27Å; N142-T146 VanDerWaalsContact O-CB 3.24Å; N142-T146 WeakPolarHBondContact O-CB 3.23Å; N142-T146 PolarHBondContact O-N 3.17Å; N142-T146 PolarHBondContact O-OG1 2.92Å; N142-I189 WeakPolarHBondContact OD1-CG2 3.07Å; N142-N191 PolarHBondContact ND2-ND2 3.23Å; N142-N191 PolarHBondContact ND2-OD1 2.9Å; N142-N191 PolarHBondContact OD1-OD1 3.04Å; N142-M220 HydrophobicContact CB-CE 3.6Å; N142-M220 HydrophobicContact CB-SD 3.64Å
143V98.8Very high98.1Very high42 Ų4236.7 Ų36.726%0.25517%0.165SC..Hα-helixtrans-63.9-48.4177.3172.60000111.2Y139 I140 C141 T146 R147Y139-V143 HydrophobicContact CE1-CG2 4.26Å; Y139-V143 HydrophobicContact CE2-CG2 4.15Å; Y139-V143 WeakPolarHBondContact O-CG2 3.41Å; Y139-V143 PolarHBondContact O-N 3.28Å; I140-V143 PolarHBondContact O-N 2.99Å; C141-V143 PolarHBondContact O-N 3.42Å; V143-T146 PolarHBondContact O-N 3.05Å; V143-R147 WeakPolarHBondContact O-CG 3.38Å; V143-R147 PolarHBondContact O-N 3.46Å
144L98.8Very high97.9Very high42 Ų4241.1 Ų41.122%0.2218%0.184CC..Hα-helixtrans-67-43.5-177.6-65.9175.9000112.1V79 F83 I140 C141 R147 M148V79-L144 HydrophobicContact CG1-CD1 4.01Å; F83-L144 HydrophobicContact CD1-CB 3.99Å; F83-L144 HydrophobicContact CD2-CB 3.56Å; F83-L144 HydrophobicContact CD2-CD1 3.5Å; F83-L144 HydrophobicContact CD2-CG 4.17Å; F83-L144 HydrophobicContact CE1-CB 3.99Å; F83-L144 HydrophobicContact CE2-CB 3.55Å; F83-L144 HydrophobicContact CE2-CD1 3.84Å; F83-L144 HydrophobicContact CE2-CG 4.35Å; F83-L144 HydrophobicContact CG-CB 3.78Å; F83-L144 HydrophobicContact CG-CD1 4.27Å; F83-L144 HydrophobicContact CZ-CB 3.77Å; I140-L144 HydrophobicContact CG2-CD1 3.95Å; I140-L144 HydrophobicContact CG2-CG 4.48Å; I140-L144 WeakPolarHBondContact O-CG 3.3Å; I140-L144 PolarHBondContact O-N 3.15Å; C141-L144 PolarHBondContact O-N 3.11Å; L144-R147 PolarHBondContact O-N 3.33Å; L144-M148 PolarHBondContact O-N 3.32Å; L144-M148 VanDerWaalsContact O-N 3.09Å
145A98.9Very high97.7Very high0 Ų045 Ų450%020%0.2CC..Hα-helixtrans-61.5-44.8174.900000111.3F83 L94 F97 C141 R147 M148 M149 I189F83-A145 VanDerWaalsContact CE1-CA 3.49Å; F83-A145 HydrophobicContact CE1-CB 3.79Å; F83-A145 HydrophobicContact CZ-CB 3.98Å; L94-A145 HydrophobicContact CD2-CB 3.94Å; F97-A145 HydrophobicContact CB-CB 3.91Å; F97-A145 HydrophobicContact CD1-CB 3.97Å; F97-A145 HydrophobicContact CD2-CB 3.98Å; F97-A145 HydrophobicContact CG-CB 3.65Å; C141-A145 WeakPolarHBondContact O-CB 3.27Å; C141-A145 PolarHBondContact O-N 3.37Å; A145-R147 PolarHBondContact O-N 3.27Å; A145-M148 PolarHBondContact O-N 2.86Å; A145-M149 VanDerWaalsContact O-CB 3.32Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 VanDerWaalsContact O-CG 3.24Å; A145-M149 WeakPolarHBondContact O-CG 3.46Å; A145-M149 PolarHBondContact O-N 3.23Å; A145-I189 HydrophobicContact CB-CD1 4.19Å
146T98.8Very high97.3Very high19 Ų1944.8 Ų44.812%0.11720%0.201CC..Hα-helixtrans-59.1-49.1177.7-61.40000111.3N142 V143 M148 M149 M150 I189 M220 L224 I231N142-T146 VanDerWaalsContact O-CB 3.24Å; N142-T146 WeakPolarHBondContact O-CB 3.23Å; N142-T146 PolarHBondContact O-N 3.17Å; N142-T146 PolarHBondContact O-OG1 2.92Å; V143-T146 PolarHBondContact O-N 3.05Å; T146-M148 VanDerWaalsContact C-N 3.32Å; T146-M148 PolarHBondContact O-N 3.11Å; T146-M149 PolarHBondContact O-N 3.41Å; T146-M150 HydrophobicContact CG2-CG 4.21Å; T146-M150 HydrophobicContact CG2-SD 3.97Å; T146-M150 WeakPolarHBondContact O-CB 3.39Å; T146-M150 VanDerWaalsContact O-CG 3.29Å; T146-M150 WeakPolarHBondContact O-CG 3.46Å; T146-M150 PolarHBondContact O-N 2.97Å; T146-I189 VanDerWaalsContact OG1-CD1 3.26Å; T146-I189 WeakPolarHBondContact OG1-CD1 3.49Å; T146-M220 WeakPolarHBondContact OG1-CE 3.24Å; T146-L224 HydrophobicContact CG2-CD2 3.83Å; T146-I231 HydrophobicContact CG2-CD1 4.41Å
147R98.5Very high96.8Very high172 Ų17243.2 Ų43.265%0.64920%0.2SC*.Hα-helixtrans-57.9-44.9178.6-74173.7177.2171.80112.1V143 L144 A145 K151V143-R147 WeakPolarHBondContact O-CG 3.38Å; V143-R147 PolarHBondContact O-N 3.46Å; L144-R147 PolarHBondContact O-N 3.33Å; A145-R147 PolarHBondContact O-N 3.27Å; R147-K151 PolarHBondContact O-N 2.86Å
148M98.5Very high96.3Very high16 Ų1647.3 Ų47.38%0.07922%0.221CC..Hα-helixtrans-65.6-45.7178.6-173.5171.2177.300111.9F83 I86 H87 G92 R93 L94 L144 A145 T146 M150 K151 C152F83-M148 HydrophobicContact CD1-SD 4.19Å; I86-M148 HydrophobicContact CB-CE 4.22Å; I86-M148 HydrophobicContact CG2-CE 3.71Å; I86-M148 HydrophobicContact CG2-SD 4.44Å; H87-M148 HydrophobicContact CB-CE 4.03Å; H87-M148 HydrophobicContact CB-SD 4.49Å; G92-M148 VanDerWaalsContact C-CE 3.48Å; G92-M148 VanDerWaalsContact O-CE 3.26Å; G92-M148 WeakPolarHBondContact O-CE 3.32Å; G92-M148 WeakPolarHBondContact O-CG 3.34Å; R93-M148 WeakPolarHBondContact O-CE 3.38Å; L94-M148 HydrophobicContact CB-CE 4.02Å; L94-M148 HydrophobicContact CB-CG 4.03Å; L94-M148 HydrophobicContact CB-SD 3.96Å; L94-M148 HydrophobicContact CD2-CB 4.45Å; L94-M148 HydrophobicContact CD2-CG 4.5Å; L94-M148 HydrophobicContact CD2-SD 4.14Å; L144-M148 PolarHBondContact O-N 3.32Å; L144-M148 VanDerWaalsContact O-N 3.09Å; A145-M148 PolarHBondContact O-N 2.86Å; T146-M148 VanDerWaalsContact C-N 3.32Å; T146-M148 PolarHBondContact O-N 3.11Å; M148-M150 PolarHBondContact O-N 3.33Å; M148-K151 PolarHBondContact O-N 3.03Å; M148-C152 PolarHBondContact O-N 3.49Å
149M98.5Very high95.8Very high0 Ų052.3 Ų52.30%025%0.247CC..Hα-helixtrans-65.7-34.7179.1-74.7-177.9-179.700113.3L94 F97 A145 T146 C152 R153 I189 I231L94-M149 HydrophobicContact CB-CG 4.17Å; L94-M149 HydrophobicContact CD2-CE 3.96Å; L94-M149 HydrophobicContact CD2-CG 4.15Å; L94-M149 HydrophobicContact CG-CE 3.73Å; L94-M149 HydrophobicContact CG-CG 4.07Å; L94-M149 WeakPolarHBondContact O-CG 3.34Å; F97-M149 HydrophobicContact CB-CE 3.73Å; A145-M149 VanDerWaalsContact O-CB 3.32Å; A145-M149 WeakPolarHBondContact O-CB 3.38Å; A145-M149 VanDerWaalsContact O-CG 3.24Å; A145-M149 WeakPolarHBondContact O-CG 3.46Å; A145-M149 PolarHBondContact O-N 3.23Å; T146-M149 PolarHBondContact O-N 3.41Å; M149-C152 PolarHBondContact O-SG 2.96Å; M149-R153 WeakPolarHBondContact O-CB 3.24Å; M149-R153 WeakPolarHBondContact O-CD 3.06Å; M149-R153 VanDerWaalsContact O-CG 3.31Å; M149-R153 WeakPolarHBondContact O-CG 3.37Å; M149-R153 PolarHBondContact O-N 3.39Å; M149-R153 PolarHBondContact O-NH1 3.4Å; M149-I189 HydrophobicContact CE-CG1 3.91Å; M149-I189 HydrophobicContact SD-CD1 4.11Å; M149-I189 HydrophobicContact SD-CG1 3.74Å; M149-I231 HydrophobicContact CB-CD1 3.54Å; M149-I231 HydrophobicContact CB-CG1 4.06Å; M149-I231 HydrophobicContact SD-CG2 4.09Å
150M97.2Very high95.2Very high37 Ų3747.1 Ų47.118%0.18223%0.228CC..Hα-helixtrans-65.5-53.6176.1-76.7-177.16700109.9T146 M148 C152 R153 E154 I231T146-M150 HydrophobicContact CG2-CG 4.21Å; T146-M150 HydrophobicContact CG2-SD 3.97Å; T146-M150 WeakPolarHBondContact O-CB 3.39Å; T146-M150 VanDerWaalsContact O-CG 3.29Å; T146-M150 WeakPolarHBondContact O-CG 3.46Å; T146-M150 PolarHBondContact O-N 2.97Å; M148-M150 PolarHBondContact O-N 3.33Å; M150-C152 PolarHBondContact O-N 2.9Å; M150-R153 PolarHBondContact O-N 3.16Å; M150-R153 VanDerWaalsContact O-N 3.13Å; M150-E154 WeakPolarHBondContact O-CG 3.31Å; M150-E154 PolarHBondContact O-N 3.06Å; M150-I231 HydrophobicContact CB-CD1 4.37Å; M150-I231 HydrophobicContact CG-CD1 3.51Å
151K97Very high94.5Very high99 Ų9950.9 Ų50.943%0.4324%0.244SC..Hα-helixtrans-55.7-51.2-177-177.8173.7176.1178.10112.4R147 M148 R153 E154 E155R147-K151 PolarHBondContact O-N 2.86Å; M148-K151 PolarHBondContact O-N 3.03Å; K151-R153 PolarHBondContact O-N 3.34Å; K151-E154 PolarHBondContact O-N 3.24Å; K151-E155 WeakPolarHBondContact CE-OE1 3.41Å; K151-E155 WeakPolarHBondContact CG-OE1 3.39Å; K151-E155 IonicContact NZ-OE1 3.39Å; K151-E155 WeakPolarHBondContact O-CG 3.41Å; K151-E155 PolarHBondContact O-N 2.68Å
152C95.6Very high93.9Very high9 Ų955.7 Ų55.76%0.06127%0.269CS..Hα-helixtrans-67.1-25.6-177.269.60000113.3G92 M148 M149 M150 S156 L184G92-C152 WeakPolarHBondContact O-CB 3.41Å; M148-C152 PolarHBondContact O-N 3.49Å; M149-C152 PolarHBondContact O-SG 2.96Å; M150-C152 PolarHBondContact O-N 2.9Å; C152-S156 VanDerWaalsContact O-CB 3.3Å; C152-S156 WeakPolarHBondContact O-CB 3.26Å; C152-S156 PolarHBondContact O-N 3.41Å; C152-S156 VanDerWaalsContact O-N 3.15Å; C152-L184 HydrophobicContact CB-CD1 4.26Å; C152-L184 VanDerWaalsContact O-CD1 3.3Å; C152-L184 WeakPolarHBondContact O-CD1 3.24Å
153R94.6Very high92.9Very high9 Ų959.1 Ų59.13%0.03429%0.288CS..Hα-helixtrans-80.8-37.4176.9-75.1172.8175.46912.3112.6L94 D95 M149 M150 K151 S156 M157 L184 P185 G187 N230L94-R153 PolarHBondContact O-NH1 3.29Å; D95-R153 IonicContact OD1-NH2 2.7Å; D95-R153 PolarHBondContact OD1-NH2 2.94Å; M149-R153 WeakPolarHBondContact O-CB 3.24Å; M149-R153 WeakPolarHBondContact O-CD 3.06Å; M149-R153 VanDerWaalsContact O-CG 3.31Å; M149-R153 WeakPolarHBondContact O-CG 3.37Å; M149-R153 PolarHBondContact O-N 3.39Å; M149-R153 PolarHBondContact O-NH1 3.4Å; M150-R153 PolarHBondContact O-N 3.16Å; M150-R153 VanDerWaalsContact O-N 3.13Å; K151-R153 PolarHBondContact O-N 3.34Å; R153-S156 PolarHBondContact O-N 2.89Å; R153-M157 WeakPolarHBondContact O-CG 3.29Å; R153-M157 PolarHBondContact O-N 3.48Å; R153-L184 HydrophobicContact CG-CB 4.13Å; R153-L184 HydrophobicContact CG-CD1 4.22Å; R153-P185 VanDerWaalsContact CZ-O 3.23Å; R153-P185 PolarHBondContact NE-O 3.39Å; R153-P185 PolarHBondContact NH2-O 3Å; R153-G187 VanDerWaalsContact CZ-N 3.28Å; R153-G187 VanDerWaalsContact NE-N 3.1Å; R153-G187 VanDerWaalsContact NH2-N 3.17Å; R153-N230 VanDerWaalsContact CD-O 3.23Å; R153-N230 WeakPolarHBondContact CD-O 3.49Å; R153-N230 PolarHBondContact NE-O 2.9Å
154E93.3Very high92Very high107 Ų10762.5 Ų62.550%0.530%0.3SS..Hα-helixtrans-61.2-50.9171.7-72.1167.4-173.300110.3M150 K151 S156 M157 D158M150-E154 WeakPolarHBondContact O-CG 3.31Å; M150-E154 PolarHBondContact O-N 3.06Å; K151-E154 PolarHBondContact O-N 3.24Å; E154-S156 VanDerWaalsContact C-N 3.32Å; E154-S156 PolarHBondContact O-N 2.97Å; E154-M157 PolarHBondContact O-N 2.82Å; E154-M157 VanDerWaalsContact O-N 3.11Å; E154-D158 PolarHBondContact O-N 3.03Å
155E92.7Very high90.9Very high89 Ų8965 Ų6542%0.41631%0.314SS..Hα-helixtrans-59.2-40.9177.4-70.4170.5173.100112.4K151 D158 L159K151-E155 WeakPolarHBondContact CE-OE1 3.41Å; K151-E155 WeakPolarHBondContact CG-OE1 3.39Å; K151-E155 IonicContact NZ-OE1 3.39Å; K151-E155 WeakPolarHBondContact O-CG 3.41Å; K151-E155 PolarHBondContact O-N 2.68Å; E155-D158 PolarHBondContact O-N 3.09Å; E155-L159 WeakPolarHBondContact O-CB 3.27Å; E155-L159 VanDerWaalsContact O-CG 3.32Å; E155-L159 WeakPolarHBondContact O-CG 3.46Å; E155-L159 PolarHBondContact O-N 3.41Å; E155-L159 VanDerWaalsContact O-N 3.09Å
156S90.3Very high89.8Confident19 Ų1967.4 Ų67.413%0.13333%0.334CS..Hα-helixtrans-63.9-39175.9173.10000112.8C152 R153 E154 T160 L184C152-S156 VanDerWaalsContact O-CB 3.3Å; C152-S156 WeakPolarHBondContact O-CB 3.26Å; C152-S156 PolarHBondContact O-N 3.41Å; C152-S156 VanDerWaalsContact O-N 3.15Å; R153-S156 PolarHBondContact O-N 2.89Å; E154-S156 VanDerWaalsContact C-N 3.32Å; E154-S156 PolarHBondContact O-N 2.97Å; S156-T160 PolarHBondContact O-N 2.77Å; S156-T160 VanDerWaalsContact O-N 3.11Å; S156-T160 PolarHBondContact O-OG1 3.31Å; S156-L184 PolarHBondContact OG-N 2.55Å
157M88.5Confident88.2Confident80 Ų8071.4 Ų71.439%0.39436%0.362SS..Hα-helixtrans-67.8-42.1177.6-75.1-175.5-173.400111.9R153 E154 T160 K161 N230R153-M157 WeakPolarHBondContact O-CG 3.29Å; R153-M157 PolarHBondContact O-N 3.48Å; E154-M157 PolarHBondContact O-N 2.82Å; E154-M157 VanDerWaalsContact O-N 3.11Å; M157-T160 PolarHBondContact O-N 2.67Å; M157-K161 WeakPolarHBondContact O-CG 3.13Å; M157-K161 PolarHBondContact O-N 2.9Å; M157-N230 HydrophobicContact CE-CB 4.37Å
158D89Confident86.6Confident87 Ų8769.2 Ų69.247%0.46536%0.363SS..Hα-helixtrans-66.6-40.6179.8-71.2-17.7000111.9E154 E155 T160 K161 N162E154-D158 PolarHBondContact O-N 3.03Å; E155-D158 PolarHBondContact O-N 3.09Å; D158-T160 VanDerWaalsContact C-N 3.34Å; D158-T160 PolarHBondContact O-N 2.88Å; D158-K161 PolarHBondContact O-N 3.42Å; D158-N162 WeakPolarHBondContact O-CB 3.33Å; D158-N162 VanDerWaalsContact O-CG 3.24Å; D158-N162 PolarHBondContact O-N 3.46Å; D158-N162 PolarHBondContact O-ND2 3.11Å
159L87.4Confident84.7Confident109 Ų10976.7 Ų76.757%0.57140%0.397SS*.Hα-helixtrans-61.4-41.5172.7-73.6167.3000112.3E155 N162 N163E155-L159 WeakPolarHBondContact O-CB 3.27Å; E155-L159 VanDerWaalsContact O-CG 3.32Å; E155-L159 WeakPolarHBondContact O-CG 3.46Å; E155-L159 PolarHBondContact O-N 3.41Å; E155-L159 VanDerWaalsContact O-N 3.09Å; L159-N162 PolarHBondContact O-N 3.4Å; L159-N163 PolarHBondContact O-N 3.2Å
160T86Confident82.2Confident18 Ų1879.6 Ų79.611%0.1142%0.418CS..Hα-helixtrans-62.8-46.9178.7-54.20000110.9S156 M157 D158 N162 N163 E164S156-T160 PolarHBondContact O-N 2.77Å; S156-T160 VanDerWaalsContact O-N 3.11Å; S156-T160 PolarHBondContact O-OG1 3.31Å; M157-T160 PolarHBondContact O-N 2.67Å; D158-T160 VanDerWaalsContact C-N 3.34Å; D158-T160 PolarHBondContact O-N 2.88Å; T160-N162 PolarHBondContact O-N 2.82Å; T160-N163 PolarHBondContact O-N 2.8Å; T160-E164 WeakPolarHBondContact O-CG 3.35Å; T160-E164 PolarHBondContact O-N 3.24Å
161K84.1Confident79.7Confident115 Ų11586.5 Ų86.550%0.546%0.455SS..Hα-helixtrans-62.4-41.7177.4-70.4172.9-176.1169.30112.7M157 D158 E164 N165M157-K161 WeakPolarHBondContact O-CG 3.13Å; M157-K161 PolarHBondContact O-N 2.9Å; D158-K161 PolarHBondContact O-N 3.42Å; K161-E164 PolarHBondContact O-N 2.89Å; K161-N165 WeakPolarHBondContact O-CB 3.22Å; K161-N165 VanDerWaalsContact O-CG 3.24Å; K161-N165 PolarHBondContact O-N 2.89Å; K161-N165 PolarHBondContact O-ND2 2.84Å
162N85.6Confident77.4Confident101 Ų10185.6 Ų85.654%0.5446%0.461SS..Hα-helixtrans-65.9-39.6179.6-72.4-19.3000111.9D158 L159 T160 N165 A166D158-N162 WeakPolarHBondContact O-CB 3.33Å; D158-N162 VanDerWaalsContact O-CG 3.24Å; D158-N162 PolarHBondContact O-N 3.46Å; D158-N162 PolarHBondContact O-ND2 3.11Å; L159-N162 PolarHBondContact O-N 3.4Å; T160-N162 PolarHBondContact O-N 2.82Å; N162-N165 PolarHBondContact O-N 2.83Å; N162-A166 WeakPolarHBondContact O-CB 3.43Å; N162-A166 PolarHBondContact O-N 2.88Å
163N79.4Confident74.9Confident72 Ų7290.8 Ų90.839%0.38550%0.498SS..Hα-helixtrans-67-41.4175.5-74.3-6.6000112.1L159 T160 A166 C167 N181L159-N163 PolarHBondContact O-N 3.2Å; T160-N163 PolarHBondContact O-N 2.8Å; N163-A166 PolarHBondContact O-N 3.31Å; N163-C167 WeakPolarHBondContact O-CB 3.46Å; N163-C167 PolarHBondContact O-N 2.95Å; N163-C167 PolarHBondContact O-SG 3.32Å; N163-N181 PolarHBondContact ND2-OD1 2.93Å
164E78.3Confident72.4Confident112 Ų11297.5 Ų97.552%0.52353%0.533SS..Hα-helixtrans-60.7-43.7174.4-73.8175.3-18000111.6T160 K161 C167 N168T160-E164 WeakPolarHBondContact O-CG 3.35Å; T160-E164 PolarHBondContact O-N 3.24Å; K161-E164 PolarHBondContact O-N 2.89Å; E164-C167 PolarHBondContact O-N 3.14Å; E164-N168 VanDerWaalsContact O-CG 3.23Å; E164-N168 PolarHBondContact O-N 3.33Å; E164-N168 VanDerWaalsContact O-N 3.11Å; E164-N168 PolarHBondContact O-ND2 2.91Å
165N77.1Confident69.7Low94 Ų9498.8 Ų98.850%0.50355%0.548SS..Hα-helixtrans-65.6-39.7176.6-71.3-19.7000112.8K161 N162 N168 H169K161-N165 WeakPolarHBondContact O-CB 3.22Å; K161-N165 VanDerWaalsContact O-CG 3.24Å; K161-N165 PolarHBondContact O-N 2.89Å; K161-N165 PolarHBondContact O-ND2 2.84Å; N162-N165 PolarHBondContact O-N 2.83Å; N165-N168 PolarHBondContact O-N 3.33Å; N165-H169 PolarHBondContact O-N 2.65Å
166A74.8Confident67Low51 Ų5199.8 Ų99.842%0.42156%0.561SS.*Hα-helixtrans-66.9-41.5177.700000112.2N162 N163 N168 H169 S170N162-A166 WeakPolarHBondContact O-CB 3.43Å; N162-A166 PolarHBondContact O-N 2.88Å; N163-A166 PolarHBondContact O-N 3.31Å; A166-N168 VanDerWaalsContact C-N 3.29Å; A166-N168 PolarHBondContact O-N 3.44Å; A166-H169 PolarHBondContact O-N 3.05Å; A166-S170 PolarHBondContact O-N 2.9Å; A166-S170 VanDerWaalsContact O-N 3.11Å; A166-S170 PolarHBondContact O-OG 3.34Å
167C66.1Low64.8Low103 Ų103104.8 Ų104.870%0.69659%0.592SS**Hα-helixtrans-64.1-32.7174.3-760000112.6N163 E164 H169N163-C167 WeakPolarHBondContact O-CB 3.46Å; N163-C167 PolarHBondContact O-N 2.95Å; N163-C167 PolarHBondContact O-SG 3.32Å; E164-C167 PolarHBondContact O-N 3.14Å; C167-H169 VanDerWaalsContact C-N 3.31Å; C167-H169 PolarHBondContact O-N 3.12Å
168N65.2Low62.7Low126 Ų126108.4 Ų108.467%0.67461%0.613SS**Hα-helixtrans-75.3-16.9177.3-71.5-20.5000113.7E164 N165 A166E164-N168 VanDerWaalsContact O-CG 3.23Å; E164-N168 PolarHBondContact O-N 3.33Å; E164-N168 VanDerWaalsContact O-N 3.11Å; E164-N168 PolarHBondContact O-ND2 2.91Å; N165-N168 PolarHBondContact O-N 3.33Å; A166-N168 VanDerWaalsContact C-N 3.29Å; A166-N168 PolarHBondContact O-N 3.44Å
169H57.4Low60.4Low173 Ų173109.3 Ų109.380%0.80162%0.621SS**Hα-helixtrans-120.3-5.4-173.6-79.3-43.5000116.7N165 A166 C167N165-H169 PolarHBondContact O-N 2.65Å; A166-H169 PolarHBondContact O-N 3.05Å; C167-H169 VanDerWaalsContact C-N 3.31Å; C167-H169 PolarHBondContact O-N 3.12Å
170S46.8Very low58.8Low62 Ų62111.2 Ų111.243%0.43463%0.627SS.*  trans-159.3132.8177.753.60000115.8A166 S172A166-S170 PolarHBondContact O-N 2.9Å; A166-S170 VanDerWaalsContact O-N 3.11Å; A166-S170 PolarHBondContact O-OG 3.34Å; S170-S172 PolarHBondContact O-N 2.87Å
171N45.1Very low57.6Low182 Ų182115.3 Ų115.397%0.97365%0.648SS**  trans-68.677.4154-80.4-23.5000109.7
172S47.7Very low57.2Low79 Ų79116 Ų11655%0.55265%0.651SS**  trans-154.5120.916470.90000112.6S170 I174S170-S172 PolarHBondContact O-N 2.87Å; S172-I174 PolarHBondContact O-N 2.8Å
173S42.7Very low57.2Low118 Ų118114.4 Ų114.483%0.82565%0.646SS**  trans-67.3110.4173.143.80000112.1
174I42.7Very low57.8Low150 Ų150112.5 Ų112.577%0.76964%0.636SS**  trans-123.4114.3159.6-61.8178.1000107.2S172S172-I174 PolarHBondContact O-N 2.8Å
175T36.7Very low58.6Low134 Ų134108.2 Ų108.282%0.82262%0.617SS**  trans-98.4101.7-174.950.50000110.9
176T36.4Very low59.5Low111 Ų111104 Ų10468%0.68160%0.595SS**  trans-95.4133161.1-20000109.1L178T176-L178 VanDerWaalsContact C-N 3.28Å; T176-L178 PolarHBondContact O-N 3.45Å
177P42.8Very low60.6Low123 Ų123101.5 Ų101.580%0.79958%0.575SS**SBendtrans-85.944.2-165.231.2-29.5000115.2
178L45.8Very low62.2Low157 Ų15796.6 Ų96.682%0.82254%0.542SS*.  trans-126.162.8163-71174.4000109.6T176 H180T176-L178 VanDerWaalsContact C-N 3.28Å; T176-L178 PolarHBondContact O-N 3.45Å; L178-H180 PolarHBondContact O-N 2.88Å
179V40.9Very low63.8Low106 Ų10690.6 Ų90.664%0.64251%0.509SS*.  trans-76.977.5173.3-173.60000109
180H52.4Low65.8Low149 Ų14982.4 Ų82.469%0.6947%0.471SS*.  trans-110.789.7143.6-79.4-53.5000106.6L178 K182L178-H180 PolarHBondContact O-N 2.88Å; H180-K182 PolarHBondContact O-N 2.76Å
181N60.8Low68.2Low103 Ų10379.4 Ų79.455%0.55145%0.451SS*.  trans-64.615.5170.3-78-5.8000113N163N163-N181 PolarHBondContact ND2-OD1 2.93Å
182K76.3Confident70.8Confident131 Ų13171.4 Ų71.457%0.5741%0.408SS*.SBendtrans-118.3133.8-177.6-167.5177.4178.8179.90108.7H180H180-K182 PolarHBondContact O-N 2.76Å
183P85.5Confident73.1Confident66 Ų6667.8 Ų67.843%0.42938%0.383SS..PPolyproline II helixtrans-56.1143.9174.223.2-34.5000110.9
184L93.1Very high75.6Confident33 Ų3363.2 Ų63.217%0.17335%0.351CS..PPolyproline II helixtrans-56.1147.2175.3-74.8177.6000111.8C152 R153 S156 N230C152-L184 HydrophobicContact CB-CD1 4.26Å; C152-L184 VanDerWaalsContact O-CD1 3.3Å; C152-L184 WeakPolarHBondContact O-CD1 3.24Å; R153-L184 HydrophobicContact CG-CB 4.13Å; R153-L184 HydrophobicContact CG-CD1 4.22Å; S156-L184 PolarHBondContact OG-N 2.55Å; L184-N230 PolarHBondContact O-ND2 3.01Å
185P94.7Very high77.7Confident21 Ų2157.3 Ų57.314%0.13632%0.319CS..PPolyproline II helixtrans-62.3160.7175.328.8-35.7000111.7Y8 R153 G187 S285Y8-P185 HydrophobicContact CE1-CB 4.28Å; Y8-P185 HydrophobicContact CE1-CG 3.82Å; Y8-P185 HydrophobicContact CE2-CG 4.41Å; Y8-P185 WeakPolarHBondContact OH-CB 3.45Å; R153-P185 VanDerWaalsContact CZ-O 3.23Å; R153-P185 PolarHBondContact NE-O 3.39Å; R153-P185 PolarHBondContact NH2-O 3Å; P185-G187 PolarHBondContact O-N 3.19Å; P185-S285 WeakPolarHBondContact CA-OG 3.44Å; P185-S285 VanDerWaalsContact CB-OG 3.29Å; P185-S285 WeakPolarHBondContact CB-OG 3.28Å
186T96.5Very high80.1Confident5 Ų551 Ų513%0.03128%0.281CS..PPolyproline II helixtrans-54.5126.2171.6-59.90000110.3N230 S285 L290 L291T186-N230 WeakPolarHBondContact CA-O 3.11Å; T186-N230 WeakPolarHBondContact CA-OD1 3.25Å; T186-N230 VanDerWaalsContact CB-OD1 3.32Å; T186-N230 WeakPolarHBondContact CB-OD1 3.36Å; T186-N230 PolarHBondContact OG1-OD1 2.96Å; T186-S285 PolarHBondContact N-OG 3.36Å; T186-L290 HydrophobicContact CG2-CD2 3.94Å; T186-L290 HydrophobicContact CG2-CG 4.27Å; T186-L291 HydrophobicContact CG2-CD2 3.61Å; T186-L291 HydrophobicContact CG2-CG 3.96Å
187G97.9Very high82.5Confident0 Ų046.6 Ų46.60%026%0.257CS..EExtended strand (participates in β ladder)trans-68.4144.6175.800000110.6D95 R153 P185 N230 I231 S232D95-G187 CarbonylContact O-C 3.47Å; D95-G187 WeakPolarHBondContact O-CA 3.28Å; R153-G187 VanDerWaalsContact CZ-N 3.28Å; R153-G187 VanDerWaalsContact NE-N 3.1Å; R153-G187 VanDerWaalsContact NH2-N 3.17Å; P185-G187 PolarHBondContact O-N 3.19Å; G187-N230 PolarHBondContact N-O 3.31Å; G187-I231 CarbonylContact O-C 3.59Å; G187-I231 WeakPolarHBondContact O-CA 3.17Å; G187-S232 PolarHBondContact O-N 2.99Å
188L98.7Very high84.6Confident0 Ų042.8 Ų42.80%023%0.23CC..EExtended strand (participates in β ladder)trans-126.6114.3-177.7-17855.2000111.1D95 I96 F97 V190 S232 V234 I278 L281 A282 L290D95-L188 PolarHBondContact O-N 3.48Å; I96-L188 CarbonylContact C-O 3.56Å; I96-L188 VanDerWaalsContact CA-O 3.28Å; I96-L188 WeakPolarHBondContact CA-O 3.29Å; I96-L188 HydrophobicContact CG1-CB 4.39Å; F97-L188 PolarHBondContact N-O 2.92Å; L188-V190 HydrophobicContact CD1-CG2 4.19Å; L188-V190 HydrophobicContact CD2-CG2 4.1Å; L188-V190 HydrophobicContact CG-CG2 3.79Å; L188-S232 WeakPolarHBondContact CA-O 3.42Å; L188-V234 HydrophobicContact CD1-CG2 3.98Å; L188-I278 HydrophobicContact CD2-CG2 4.13Å; L188-L281 HydrophobicContact CD2-CB 3.97Å; L188-A282 HydrophobicContact CD2-CB 4.36Å; L188-L290 HydrophobicContact CB-CD2 4.36Å; L188-L290 HydrophobicContact CD1-CD1 3.93Å; L188-L290 HydrophobicContact CD1-CD2 4.37Å; L188-L290 HydrophobicContact CD1-CG 4.47Å; L188-L290 HydrophobicContact CD2-CD1 4.46Å
189I98.9Very high86.4Confident0 Ų038.5 Ų38.50%021%0.21CC..EExtended strand (participates in β ladder)trans-101.2125.5169.3-62.1176.9000108F97 N142 A145 T146 M149 M220 I231 S232 V233 V234F97-I189 HydrophobicContact CB-CG1 4.44Å; F97-I189 CarbonylContact O-C 3.56Å; F97-I189 WeakPolarHBondContact O-CA 3.5Å; N142-I189 WeakPolarHBondContact OD1-CG2 3.07Å; A145-I189 HydrophobicContact CB-CD1 4.19Å; T146-I189 VanDerWaalsContact OG1-CD1 3.26Å; T146-I189 WeakPolarHBondContact OG1-CD1 3.49Å; M149-I189 HydrophobicContact CE-CG1 3.91Å; M149-I189 HydrophobicContact SD-CD1 4.11Å; M149-I189 HydrophobicContact SD-CG1 3.74Å; I189-M220 HydrophobicContact CD1-CE 4.13Å; I189-I231 HydrophobicContact CD1-CG2 4.29Å; I189-I231 HydrophobicContact CG1-CG2 4.44Å; I189-S232 PolarHBondContact N-O 3.23Å; I189-V233 HydrophobicContact CB-CB 4.41Å; I189-V233 HydrophobicContact CB-CG1 4.24Å; I189-V233 HydrophobicContact CB-CG2 4.04Å; I189-V233 HydrophobicContact CD1-CG2 4.19Å; I189-V233 HydrophobicContact CG2-CG1 4.09Å; I189-V233 CarbonylContact O-C 3.56Å; I189-V233 WeakPolarHBondContact O-CA 3.09Å; I189-V234 PolarHBondContact O-N 3.44Å
190V98.9Very high88.5Confident0 Ų038.7 Ų38.70%020%0.199CC..EExtended strand (participates in β ladder)trans-117.7116.7-179.6-178.40000109.3F97 V98 N99 L188 I192 V234 I236 I278F97-V190 PolarHBondContact O-N 3.44Å; V98-V190 CarbonylContact C-O 3.5Å; V98-V190 WeakPolarHBondContact CA-O 3.32Å; V98-V190 HydrophobicContact CB-CB 4.5Å; V98-V190 HydrophobicContact CG1-CB 4.23Å; V98-V190 HydrophobicContact CG1-CG1 4.3Å; V98-V190 HydrophobicContact CG2-CB 4.23Å; N99-V190 PolarHBondContact N-O 3.49Å; L188-V190 HydrophobicContact CD1-CG2 4.19Å; L188-V190 HydrophobicContact CD2-CG2 4.1Å; L188-V190 HydrophobicContact CG-CG2 3.79Å; V190-I192 HydrophobicContact CG1-CD1 3.9Å; V190-V234 WeakPolarHBondContact CA-O 3.42Å; V190-V234 HydrophobicContact CG2-CG2 4.13Å; V190-I236 HydrophobicContact CG1-CB 4.26Å; V190-I236 HydrophobicContact CG1-CD1 3.59Å; V190-I236 HydrophobicContact CG1-CG1 3.84Å; V190-I278 HydrophobicContact CG1-CD1 4.07Å; V190-I278 HydrophobicContact CG1-CG1 4.44Å; V190-I278 HydrophobicContact CG2-CD1 4.39Å; V190-I278 HydrophobicContact CG2-CG1 4.29Å; V190-I278 HydrophobicContact CG2-CG2 4.11Å
191N98.8Very high90.1Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-95.5119169.4-68.4-39.8000109.2N99 N142 S193 L213 S217 V234 S235 I236N99-N191 WeakPolarHBondContact CB-OD1 3.48Å; N99-N191 PolarHBondContact ND2-OD1 3.04Å; N142-N191 PolarHBondContact ND2-ND2 3.23Å; N142-N191 PolarHBondContact ND2-OD1 2.9Å; N142-N191 PolarHBondContact OD1-OD1 3.04Å; N191-S193 PolarHBondContact O-N 2.93Å; N191-S193 VanDerWaalsContact O-N 3.1Å; N191-L213 HydrophobicContact CB-CD1 4Å; N191-L213 HydrophobicContact CB-CD2 4.07Å; N191-L213 HydrophobicContact CB-CG 3.91Å; N191-S217 PolarHBondContact ND2-OG 3.2Å; N191-V234 PolarHBondContact N-O 3.01Å; N191-S235 CarbonylContact O-C 3.31Å; N191-S235 VanDerWaalsContact O-CA 3.31Å; N191-S235 WeakPolarHBondContact O-CA 3.49Å; N191-I236 PolarHBondContact O-N 3.25Å
192I98Very high91.4Very high13 Ų1328.2 Ų28.27%0.06715%0.147CC..EExtended strand (participates in β ladder)trans-76.3102.8175.6-59.7-57000109V19 I23 V98 N99 C100 V190 K210 I236 P238V19-I192 HydrophobicContact CG1-CG2 4.26Å; I23-I192 HydrophobicContact CD1-CD1 3.61Å; I23-I192 HydrophobicContact CD1-CG1 3.98Å; V98-I192 HydrophobicContact CG1-CD1 4.21Å; V98-I192 HydrophobicContact CG1-CG1 4.04Å; N99-I192 WeakPolarHBondContact O-CB 3.43Å; N99-I192 WeakPolarHBondContact O-CG1 3.3Å; N99-I192 PolarHBondContact O-N 3.12Å; C100-I192 HydrophobicContact CB-CB 4.39Å; C100-I192 HydrophobicContact CB-CG1 3.76Å; V190-I192 HydrophobicContact CG1-CD1 3.9Å; I192-K210 PolarHBondContact O-NZ 2.98Å; I192-I236 HydrophobicContact CD1-CB 4.35Å; I192-P238 HydrophobicContact CG2-CG 3.75Å
193S96.8Very high92.1Very high4 Ų422.2 Ų22.23%0.02812%0.121CC..  trans-89.7-161.2177.7-166.90000111N191 D214 I236 P238N191-S193 PolarHBondContact O-N 2.93Å; N191-S193 VanDerWaalsContact O-N 3.1Å; S193-D214 WeakPolarHBondContact CB-OD1 3.46Å; S193-D214 PolarHBondContact OG-OD1 3.24Å; S193-D214 PolarHBondContact OG-OD2 3.39Å; S193-I236 PolarHBondContact N-O 3.48Å; S193-P238 WeakPolarHBondContact O-CD 3.34Å
194S94.1Very high92.5Very high22 Ų2222 Ų2215%0.15412%0.119CC..  trans-159.2164.4177.9-173.20000109.8G196 G197 I201S194-G196 PolarHBondContact O-N 2.94Å; S194-G197 PolarHBondContact O-N 3.18Å; S194-I201 VanDerWaalsContact OG-CD1 3.23Å; S194-I201 WeakPolarHBondContact OG-CD1 3.26Å
195F88.8Confident92.5Very high26 Ų2620.7 Ų20.711%0.11411%0.112CC..G310 helixtrans-55.7-21.1167.3-85.6-88.8000112.8G197 I198 T199 I201 I237 F259 F299 L320F195-G197 PolarHBondContact O-N 3.32Å; F195-G197 VanDerWaalsContact O-N 3.17Å; F195-I198 PolarHBondContact O-N 3.29Å; F195-T199 PolarHBondContact O-N 2.96Å; F195-I201 HydrophobicContact CB-CD1 4.22Å; F195-I237 HydrophobicContact CD2-CG2 3.42Å; F195-I237 VanDerWaalsContact CD2-CG2 3.42Å; F195-I237 HydrophobicContact CE2-CG2 3.44Å; F195-I237 VanDerWaalsContact CE2-CG2 3.44Å; F195-I237 HydrophobicContact CG-CG2 4.13Å; F195-I237 HydrophobicContact CZ-CG2 4.19Å; F195-F259 HydrophobicContact CB-CZ 4.15Å; F195-F259 HydrophobicContact CD1-CZ 4.38Å; F195-F259 HydrophobicContact CG-CZ 4.43Å; F195-F299 HydrophobicContact CE1-CD1 4.31Å; F195-F299 AromaticContact CE1-CE1 3.52Å; F195-F299 HydrophobicContact CE1-CE1 3.52Å; F195-F299 HydrophobicContact CE1-CZ 4.37Å; F195-F299 HydrophobicContact CE2-CD1 4.36Å; F195-F299 HydrophobicContact CE2-CE1 4.28Å; F195-F299 AromaticContact CZ-CD1 3.66Å; F195-F299 HydrophobicContact CZ-CD1 3.66Å; F195-F299 AromaticContact CZ-CE1 3.34Å; F195-F299 HydrophobicContact CZ-CE1 3.34Å; F195-F299 HydrophobicContact CZ-CZ 4.48Å; F195-L320 HydrophobicContact CD2-CD1 3.85Å; F195-L320 HydrophobicContact CE1-CB 4Å; F195-L320 HydrophobicContact CE1-CD1 4.35Å; F195-L320 HydrophobicContact CE2-CB 4.03Å; F195-L320 HydrophobicContact CE2-CD1 3.53Å; F195-L320 HydrophobicContact CE2-CG 4.32Å; F195-L320 HydrophobicContact CG-CD1 4.41Å; F195-L320 HydrophobicContact CZ-CB 3.48Å; F195-L320 VanDerWaalsContact CZ-CB 3.48Å; F195-L320 HydrophobicContact CZ-CD1 3.82Å; F195-L320 HydrophobicContact CZ-CG 4.25Å
196G87.1Confident92.5Very high1 Ų120.2 Ų20.21%0.0111%0.108CC..G310 helixtrans-59.2-17.317100000115.6S194 I198 T199 I201 C207S194-G196 PolarHBondContact O-N 2.94Å; G196-I198 VanDerWaalsContact C-N 3.28Å; G196-T199 WeakPolarHBondContact CA-O 3.46Å; G196-I201 VanDerWaalsContact N-CD1 3.3Å; G196-C207 VanDerWaalsContact O-CA 3.24Å; G196-C207 WeakPolarHBondContact O-CA 3.33Å; G196-C207 WeakPolarHBondContact O-CB 3.43Å
197G86.1Confident92.4Very high18 Ų1820.8 Ų20.819%0.18611%0.112CC..G310 helixtrans-76.6-14.5171.100000114.1S194 F195 S211S194-G197 PolarHBondContact O-N 3.18Å; F195-G197 PolarHBondContact O-N 3.32Å; F195-G197 VanDerWaalsContact O-N 3.17Å; G197-S211 PolarHBondContact O-OG 3.18Å
198I85.8Confident92.2Very high44 Ų4422.4 Ų22.423%0.22613%0.126CC..THydrogen-bonded Turntrans-112.8-41.7-174.1-60177.8000110.8F195 G196 I237 F299 I350F195-I198 PolarHBondContact O-N 3.29Å; G196-I198 VanDerWaalsContact C-N 3.28Å; I198-I237 HydrophobicContact CD1-CD1 3.61Å; I198-I237 HydrophobicContact CG1-CD1 4.41Å; I198-F299 HydrophobicContact CD1-CE2 4.37Å; I198-F299 HydrophobicContact CD1-CZ 3.74Å; I198-I350 HydrophobicContact CD1-CG2 4.13Å; I198-I350 HydrophobicContact CG2-CG2 3.76Å
199T85Confident92.2Very high67 Ų6722.5 Ų22.541%0.41113%0.127SC..SBendtrans-150163.4-173.11790000110.5F195 G196 I201 F259F195-T199 PolarHBondContact O-N 2.96Å; G196-T199 WeakPolarHBondContact CA-O 3.46Å; T199-I201 PolarHBondContact O-N 2.86Å; T199-F259 HydrophobicContact CG2-CE1 3.5Å; T199-F259 HydrophobicContact CG2-CZ 3.97Å
200R85.3Confident92.1Very high110 Ų11023.6 Ų23.642%0.41513%0.132SC..  trans-66.2118.2-174.5-178.3167.8175.279.7-3.1111.3S114S114-R200 PolarHBondContact O-NH2 3.41Å
201I86Confident92Very high6 Ų626 Ų263%0.03115%0.149CC..  trans-136149160.669.1176.2000108.7S194 F195 G196 T199 N203 F206 C207 L258 F259S194-I201 VanDerWaalsContact OG-CD1 3.23Å; S194-I201 WeakPolarHBondContact OG-CD1 3.26Å; F195-I201 HydrophobicContact CB-CD1 4.22Å; G196-I201 VanDerWaalsContact N-CD1 3.3Å; T199-I201 PolarHBondContact O-N 2.86Å; I201-N203 PolarHBondContact O-N 2.89Å; I201-F206 HydrophobicContact CD1-CE1 3.96Å; I201-F206 HydrophobicContact CG1-CD1 4.25Å; I201-F206 HydrophobicContact CG1-CE1 3.94Å; I201-C207 PolarHBondContact N-SG 3.21Å; I201-C207 PolarHBondContact O-SG 2.75Å; I201-L258 HydrophobicContact CB-CD1 4.27Å; I201-L258 HydrophobicContact CD1-CD1 4.21Å; I201-L258 HydrophobicContact CG2-CD1 4.01Å; I201-F259 HydrophobicContact CG2-CD1 4.04Å; I201-F259 HydrophobicContact CG2-CE1 3.51Å; I201-F259 HydrophobicContact CG2-CE2 4.32Å; I201-F259 HydrophobicContact CG2-CZ 3.69Å
202F88Confident92Very high25 Ų2528.4 Ų28.411%0.1117%0.166CC..SBendtrans58-119.9-174.1-51.7-61000112.2L108 N112 F206 L256L108-F202 HydrophobicContact CB-CD1 4.15Å; L108-F202 HydrophobicContact CB-CG 4.28Å; L108-F202 HydrophobicContact CD1-CD2 4.27Å; L108-F202 HydrophobicContact CD1-CG 4.37Å; L108-F202 HydrophobicContact CD2-CB 4.09Å; N112-F202 WeakPolarHBondContact OD1-CA 3.44Å; F202-F206 HydrophobicContact CB-CB 4.45Å; F202-F206 HydrophobicContact CB-CD1 4.31Å; F202-F206 HydrophobicContact CB-CG 4.47Å; F202-F206 AromaticContact CD2-CD1 3.72Å; F202-F206 HydrophobicContact CD2-CD1 3.72Å; F202-F206 AromaticContact CD2-CE1 3.66Å; F202-F206 HydrophobicContact CD2-CE1 3.66Å; F202-F206 HydrophobicContact CD2-CG 4.21Å; F202-F206 HydrophobicContact CD2-CZ 4.05Å; F202-F206 HydrophobicContact CE2-CE1 4.19Å; F202-F206 HydrophobicContact CE2-CZ 4.26Å; F202-L256 HydrophobicContact CE1-CD1 3.65Å; F202-L256 HydrophobicContact CZ-CD1 4.06Å; F202-L256 HydrophobicContact CZ-CD2 4.44Å
203N90Very high92Very high5 Ų527.9 Ų27.93%0.02716%0.163CC..  trans-122.2176.1-174.773.86.4000112.7E126 I130 I201 A205 F206 C207E126-N203 PolarHBondContact OE1-ND2 3.4Å; I130-N203 VanDerWaalsContact CD1-ND2 3.29Å; I130-N203 WeakPolarHBondContact CD1-ND2 3.34Å; I201-N203 PolarHBondContact O-N 2.89Å; N203-A205 PolarHBondContact OD1-N 3.32Å; N203-F206 VanDerWaalsContact OD1-CB 3.26Å; N203-F206 WeakPolarHBondContact OD1-CB 3.31Å; N203-F206 PolarHBondContact OD1-N 3.02Å; N203-C207 PolarHBondContact O-N 3.45Å; N203-C207 VanDerWaalsContact O-N 3.15Å; N203-C207 PolarHBondContact O-SG 3.14Å; N203-C207 VanDerWaalsContact O-SG 3.32Å
204V92.9Very high92Very high63 Ų6328.2 Ų28.238%0.38216%0.164SC..Hα-helixtrans-64.1-46.9-176.7171.40000111.3Y116 F206 C207 A208Y116-V204 HydrophobicContact CD1-CG2 4.11Å; Y116-V204 HydrophobicContact CG-CG2 4.11Å; V204-F206 VanDerWaalsContact C-N 3.3Å; V204-F206 PolarHBondContact O-N 3.16Å; V204-C207 PolarHBondContact O-N 2.86Å; V204-A208 VanDerWaalsContact O-CB 3.31Å; V204-A208 WeakPolarHBondContact O-CB 3.45Å; V204-A208 PolarHBondContact O-N 3.27Å
205A94.4Very high92.2Very high4 Ų433.9 Ų33.93%0.03318%0.182CC..Hα-helixtrans-59.2-40.5-179.200000112.2W127 I130 N131 N203 G209W127-A205 HydrophobicContact CE3-CB 3.99Å; W127-A205 HydrophobicContact CZ3-CB 4.41Å; I130-A205 HydrophobicContact CD1-CB 3.72Å; N131-A205 PolarHBondContact ND2-O 3.36Å; N203-A205 PolarHBondContact OD1-N 3.32Å; A205-G209 PolarHBondContact O-N 3.41Å
206F94.3Very high92.7Very high11 Ų1134.3 Ų34.35%0.04819%0.185CC..Hα-helixtrans-65.6-48.8175.6179.4-95.1000112.5F102 L108 I130 I201 F202 N203 V204 A208 G209 K210F102-F206 HydrophobicContact CE1-CE2 4.37Å; F102-F206 HydrophobicContact CE2-CD2 4.33Å; F102-F206 HydrophobicContact CE2-CE2 4.39Å; F102-F206 AromaticContact CZ-CD2 3.77Å; F102-F206 HydrophobicContact CZ-CD2 3.77Å; F102-F206 AromaticContact CZ-CE2 3.91Å; F102-F206 HydrophobicContact CZ-CE2 3.91Å; L108-F206 HydrophobicContact CD1-CB 4.19Å; L108-F206 HydrophobicContact CD1-CD2 3.35Å; L108-F206 HydrophobicContact CD1-CE2 3.85Å; L108-F206 HydrophobicContact CD1-CG 3.88Å; L108-F206 HydrophobicContact CD2-CB 4.23Å; I130-F206 HydrophobicContact CG2-CB 4.19Å; I130-F206 HydrophobicContact CG2-CD2 4.43Å; I201-F206 HydrophobicContact CD1-CE1 3.96Å; I201-F206 HydrophobicContact CG1-CD1 4.25Å; I201-F206 HydrophobicContact CG1-CE1 3.94Å; F202-F206 HydrophobicContact CB-CB 4.45Å; F202-F206 HydrophobicContact CB-CD1 4.31Å; F202-F206 HydrophobicContact CB-CG 4.47Å; F202-F206 AromaticContact CD2-CD1 3.72Å; F202-F206 HydrophobicContact CD2-CD1 3.72Å; F202-F206 AromaticContact CD2-CE1 3.66Å; F202-F206 HydrophobicContact CD2-CE1 3.66Å; F202-F206 HydrophobicContact CD2-CG 4.21Å; F202-F206 HydrophobicContact CD2-CZ 4.05Å; F202-F206 HydrophobicContact CE2-CE1 4.19Å; F202-F206 HydrophobicContact CE2-CZ 4.26Å; N203-F206 VanDerWaalsContact OD1-CB 3.26Å; N203-F206 WeakPolarHBondContact OD1-CB 3.31Å; N203-F206 PolarHBondContact OD1-N 3.02Å; V204-F206 VanDerWaalsContact C-N 3.3Å; V204-F206 PolarHBondContact O-N 3.16Å; F206-A208 PolarHBondContact O-N 2.91Å; F206-G209 WeakPolarHBondContact O-CA 3.48Å; F206-G209 PolarHBondContact O-N 3.27Å; F206-K210 HydrophobicContact CD1-CG 4.32Å; F206-K210 HydrophobicContact CD2-CG 4.47Å; F206-K210 HydrophobicContact CE1-CG 3.83Å; F206-K210 HydrophobicContact CE2-CD 4.47Å; F206-K210 HydrophobicContact CE2-CG 4.05Å; F206-K210 HydrophobicContact CZ-CD 4.35Å; F206-K210 HydrophobicContact CZ-CG 3.72Å; F206-K210 PolarHBondContact O-N 2.92Å
207C94Very high93.2Very high17 Ų1734.2 Ų34.212%0.11519%0.185CC..Hα-helixtrans-62.8-43.9-179.9-67.40000111.8G196 I201 N203 V204 G209 K210 S211G196-C207 VanDerWaalsContact O-CA 3.24Å; G196-C207 WeakPolarHBondContact O-CA 3.33Å; G196-C207 WeakPolarHBondContact O-CB 3.43Å; I201-C207 PolarHBondContact N-SG 3.21Å; I201-C207 PolarHBondContact O-SG 2.75Å; N203-C207 PolarHBondContact O-N 3.45Å; N203-C207 VanDerWaalsContact O-N 3.15Å; N203-C207 PolarHBondContact O-SG 3.14Å; N203-C207 VanDerWaalsContact O-SG 3.32Å; V204-C207 PolarHBondContact O-N 2.86Å; C207-G209 VanDerWaalsContact C-N 3.29Å; C207-G209 PolarHBondContact O-N 3.09Å; C207-K210 PolarHBondContact O-N 3.33Å; C207-S211 WeakPolarHBondContact O-CB 3.28Å; C207-S211 PolarHBondContact O-N 3.41Å; C207-S211 PolarHBondContact O-OG 2.87Å
208A95.2Very high93.8Very high34 Ų3437.1 Ų37.128%0.28119%0.193SC..Hα-helixtrans-59.6-42.8174.400000111.2W127 V204 F206 S212W127-A208 HydrophobicContact CH2-CB 4.34Å; W127-A208 HydrophobicContact CZ3-CB 4.19Å; V204-A208 VanDerWaalsContact O-CB 3.31Å; V204-A208 WeakPolarHBondContact O-CB 3.45Å; V204-A208 PolarHBondContact O-N 3.27Å; F206-A208 PolarHBondContact O-N 2.91Å; A208-S212 VanDerWaalsContact O-CB 3.3Å; A208-S212 WeakPolarHBondContact O-CB 3.33Å; A208-S212 PolarHBondContact O-N 3.31Å; A208-S212 PolarHBondContact O-OG 3.33Å
209G97.6Very high94.4Very high3 Ų338.3 Ų38.33%0.03120%0.198CC..Hα-helixtrans-55.8-54.5174.900000113.1N131 A205 F206 C207 S212 L213N131-G209 WeakPolarHBondContact OD1-CA 3.18Å; A205-G209 PolarHBondContact O-N 3.41Å; F206-G209 WeakPolarHBondContact O-CA 3.48Å; F206-G209 PolarHBondContact O-N 3.27Å; C207-G209 VanDerWaalsContact C-N 3.29Å; C207-G209 PolarHBondContact O-N 3.09Å; G209-S212 PolarHBondContact O-N 2.87Å; G209-L213 WeakPolarHBondContact O-CB 3.42Å; G209-L213 PolarHBondContact O-N 3.28Å
210K97.4Very high95.1Very high22 Ų2236.4 Ų36.410%0.09619%0.185CC..Hα-helixtrans-68.9-39.8-177.8-65-58.6-173.5-176.50112.9I192 F206 C207 S212 L213 D214I192-K210 PolarHBondContact O-NZ 2.98Å; F206-K210 HydrophobicContact CD1-CG 4.32Å; F206-K210 HydrophobicContact CD2-CG 4.47Å; F206-K210 HydrophobicContact CE1-CG 3.83Å; F206-K210 HydrophobicContact CE2-CD 4.47Å; F206-K210 HydrophobicContact CE2-CG 4.05Å; F206-K210 HydrophobicContact CZ-CD 4.35Å; F206-K210 HydrophobicContact CZ-CG 3.72Å; F206-K210 PolarHBondContact O-N 2.92Å; C207-K210 PolarHBondContact O-N 3.33Å; K210-S212 VanDerWaalsContact C-N 3.29Å; K210-S212 PolarHBondContact O-N 2.57Å; K210-L213 HydrophobicContact CD-CD2 4.4Å; K210-L213 WeakPolarHBondContact O-CB 3.33Å; K210-L213 PolarHBondContact O-N 3.08Å; K210-D214 VanDerWaalsContact O-CG 3.31Å; K210-D214 PolarHBondContact O-N 3.06Å
211S96.3Very high95.7Very high51 Ų5131.6 Ų31.636%0.35717%0.169SC..Hα-helixtrans-60-41.5173.3-55.70000111.6G197 C207 D214 R215G197-S211 PolarHBondContact O-OG 3.18Å; C207-S211 WeakPolarHBondContact O-CB 3.28Å; C207-S211 PolarHBondContact O-N 3.41Å; C207-S211 PolarHBondContact O-OG 2.87Å; S211-D214 PolarHBondContact O-N 3.29Å; S211-R215 PolarHBondContact O-N 3.16Å
212S98.1Very high96.3Very high51 Ų5138.5 Ų38.536%0.35719%0.194SC..Hα-helixtrans-67.9-40.5177.7-580000111.7A208 G209 K210 D214 R215 I216A208-S212 VanDerWaalsContact O-CB 3.3Å; A208-S212 WeakPolarHBondContact O-CB 3.33Å; A208-S212 PolarHBondContact O-N 3.31Å; A208-S212 PolarHBondContact O-OG 3.33Å; G209-S212 PolarHBondContact O-N 2.87Å; K210-S212 VanDerWaalsContact C-N 3.29Å; K210-S212 PolarHBondContact O-N 2.57Å; S212-D214 VanDerWaalsContact C-N 3.32Å; S212-D214 PolarHBondContact O-N 3.45Å; S212-R215 PolarHBondContact O-N 2.88Å; S212-I216 VanDerWaalsContact O-CG1 3.3Å; S212-I216 WeakPolarHBondContact O-CG1 3.33Å; S212-I216 PolarHBondContact O-N 2.86Å
213L98.6Very high96.8Very high2 Ų241.7 Ų41.71%0.0121%0.212CC..Hα-helixtrans-60.8-41.9175.9-174.362.6000111.8L135 A138 N191 G209 K210 I216 S217L135-L213 HydrophobicContact CD1-CB 4.2Å; A138-L213 HydrophobicContact CB-CD1 3.86Å; N191-L213 HydrophobicContact CB-CD1 4Å; N191-L213 HydrophobicContact CB-CD2 4.07Å; N191-L213 HydrophobicContact CB-CG 3.91Å; G209-L213 WeakPolarHBondContact O-CB 3.42Å; G209-L213 PolarHBondContact O-N 3.28Å; K210-L213 HydrophobicContact CD-CD2 4.4Å; K210-L213 WeakPolarHBondContact O-CB 3.33Å; K210-L213 PolarHBondContact O-N 3.08Å; L213-I216 WeakPolarHBondContact O-CB 3.43Å; L213-I216 PolarHBondContact O-N 3.36Å; L213-S217 PolarHBondContact O-N 3.46Å; L213-S217 PolarHBondContact O-OG 3.04Å
214D97.6Very high97.2Very high10 Ų1041.9 Ų41.95%0.05321%0.214CC..Hα-helixtrans-66.4-39.9176.7-67.1-25000112.3S193 K210 S211 S212 S217 Q218 S235S193-D214 WeakPolarHBondContact CB-OD1 3.46Å; S193-D214 PolarHBondContact OG-OD1 3.24Å; S193-D214 PolarHBondContact OG-OD2 3.39Å; K210-D214 VanDerWaalsContact O-CG 3.31Å; K210-D214 PolarHBondContact O-N 3.06Å; S211-D214 PolarHBondContact O-N 3.29Å; S212-D214 VanDerWaalsContact C-N 3.32Å; S212-D214 PolarHBondContact O-N 3.45Å; D214-S217 WeakPolarHBondContact O-CB 3.49Å; D214-S217 PolarHBondContact O-N 3Å; D214-Q218 WeakPolarHBondContact O-CG 3.43Å; D214-Q218 PolarHBondContact O-N 3.46Å; D214-Q218 VanDerWaalsContact O-N 3.16Å; D214-S235 WeakPolarHBondContact OD1-CB 3.43Å; D214-S235 PolarHBondContact OD1-OG 3.42Å
215R97.6Very high97.4Very high141 Ų14147.4 Ų47.453%0.53223%0.232SC..Hα-helixtrans-63.3-42.6172.5177.454.865.1142.75.1111.8S211 S212 S217 Q218 E219S211-R215 PolarHBondContact O-N 3.16Å; S212-R215 PolarHBondContact O-N 2.88Å; R215-S217 VanDerWaalsContact C-N 3.31Å; R215-S217 PolarHBondContact O-N 3.14Å; R215-Q218 WeakPolarHBondContact O-CB 3.42Å; R215-Q218 PolarHBondContact O-N 3.19Å; R215-Q218 VanDerWaalsContact O-N 3.11Å; R215-E219 VanDerWaalsContact CD-OE1 3.27Å; R215-E219 WeakPolarHBondContact CD-OE1 3.39Å; R215-E219 HydrophobicContact CG-CG 4.32Å; R215-E219 IonicContact CZ-OE1 3.62Å; R215-E219 IonicContact NH1-OE1 3.65Å; R215-E219 PolarHBondContact NH1-OE1 3.49Å; R215-E219 WeakPolarHBondContact O-CG 3.33Å; R215-E219 PolarHBondContact O-N 3.08Å
216I98.7Very high97.5Very high35 Ų3554.1 Ų54.118%0.17926%0.263CS..Hα-helixtrans-57-45.9175-73.2163.3000110.6L135 Y139 S212 L213 Q218 E219 M220L135-I216 HydrophobicContact CD1-CD1 3.82Å; Y139-I216 HydrophobicContact CD2-CD1 4.22Å; Y139-I216 HydrophobicContact CD2-CG1 4.5Å; Y139-I216 HydrophobicContact CD2-CG2 4.14Å; S212-I216 VanDerWaalsContact O-CG1 3.3Å; S212-I216 WeakPolarHBondContact O-CG1 3.33Å; S212-I216 PolarHBondContact O-N 2.86Å; L213-I216 WeakPolarHBondContact O-CB 3.43Å; L213-I216 PolarHBondContact O-N 3.36Å; I216-Q218 VanDerWaalsContact C-N 3.28Å; I216-Q218 PolarHBondContact O-N 3.01Å; I216-E219 PolarHBondContact O-N 3.21Å; I216-M220 HydrophobicContact CG2-CG 4.18Å; I216-M220 HydrophobicContact CG2-SD 3.68Å; I216-M220 WeakPolarHBondContact O-CB 3.37Å; I216-M220 VanDerWaalsContact O-CG 3.23Å; I216-M220 WeakPolarHBondContact O-CG 3.48Å; I216-M220 PolarHBondContact O-N 2.83Å
217S98.7Very high97.6Very high0 Ų062.8 Ų62.80%030%0.295CS..Hα-helixtrans-56.5-41.5175.8-60.80000112.3N191 L213 D214 R215 A221 S235N191-S217 PolarHBondContact ND2-OG 3.2Å; L213-S217 PolarHBondContact O-N 3.46Å; L213-S217 PolarHBondContact O-OG 3.04Å; D214-S217 WeakPolarHBondContact O-CB 3.49Å; D214-S217 PolarHBondContact O-N 3Å; R215-S217 VanDerWaalsContact C-N 3.31Å; R215-S217 PolarHBondContact O-N 3.14Å; S217-A221 WeakPolarHBondContact O-CB 3.39Å; S217-A221 PolarHBondContact O-N 2.88Å; S217-S235 PolarHBondContact OG-OG 3.39Å
218Q98.2Very high97.7Very high78 Ų7869.1 Ų69.136%0.36433%0.328SS..Hα-helixtrans-65.7-48.9178.3-72.21709.900112.5D214 R215 I216 A221 R222 G295D214-Q218 WeakPolarHBondContact O-CG 3.43Å; D214-Q218 PolarHBondContact O-N 3.46Å; D214-Q218 VanDerWaalsContact O-N 3.16Å; R215-Q218 WeakPolarHBondContact O-CB 3.42Å; R215-Q218 PolarHBondContact O-N 3.19Å; R215-Q218 VanDerWaalsContact O-N 3.11Å; I216-Q218 VanDerWaalsContact C-N 3.28Å; I216-Q218 PolarHBondContact O-N 3.01Å; Q218-A221 PolarHBondContact O-N 2.94Å; Q218-R222 PolarHBondContact O-N 3.04Å; Q218-R222 VanDerWaalsContact O-N 3.11Å; Q218-G295 WeakPolarHBondContact CG-O 3.46Å
219E98.6Very high97.7Very high70 Ų7068.3 Ų68.333%0.32732%0.321SS..Hα-helixtrans-67.1-40.9-178.6-60-53.5141.800110.9R215 I216 A221 R222 D223R215-E219 VanDerWaalsContact CD-OE1 3.27Å; R215-E219 WeakPolarHBondContact CD-OE1 3.39Å; R215-E219 HydrophobicContact CG-CG 4.32Å; R215-E219 IonicContact CZ-OE1 3.62Å; R215-E219 IonicContact NH1-OE1 3.65Å; R215-E219 PolarHBondContact NH1-OE1 3.49Å; R215-E219 WeakPolarHBondContact O-CG 3.33Å; R215-E219 PolarHBondContact O-N 3.08Å; I216-E219 PolarHBondContact O-N 3.21Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.97Å; E219-R222 WeakPolarHBondContact O-CB 3.49Å; E219-R222 PolarHBondContact O-N 2.84Å; E219-D223 PolarHBondContact O-N 2.9Å; E219-D223 VanDerWaalsContact O-N 3.13Å
220M98.7Very high97.6Very high27 Ų2769.8 Ų69.813%0.13333%0.328CS..Hα-helixtrans-58.5-44.6172.6-72.2175.368.500112.2N142 T146 I189 I216 R222 D223 L224 V233N142-M220 HydrophobicContact CB-CE 3.6Å; N142-M220 HydrophobicContact CB-SD 3.64Å; T146-M220 WeakPolarHBondContact OG1-CE 3.24Å; I189-M220 HydrophobicContact CD1-CE 4.13Å; I216-M220 HydrophobicContact CG2-CG 4.18Å; I216-M220 HydrophobicContact CG2-SD 3.68Å; I216-M220 WeakPolarHBondContact O-CB 3.37Å; I216-M220 VanDerWaalsContact O-CG 3.23Å; I216-M220 WeakPolarHBondContact O-CG 3.48Å; I216-M220 PolarHBondContact O-N 2.83Å; M220-R222 VanDerWaalsContact C-N 3.26Å; M220-R222 PolarHBondContact O-N 2.77Å; M220-D223 PolarHBondContact O-N 2.9Å; M220-L224 WeakPolarHBondContact O-CB 3.3Å; M220-L224 VanDerWaalsContact O-CG 3.25Å; M220-L224 WeakPolarHBondContact O-CG 3.48Å; M220-L224 PolarHBondContact O-N 2.92Å; M220-V233 HydrophobicContact CB-CG1 4.5Å; M220-V233 HydrophobicContact CB-CG2 4.23Å; M220-V233 HydrophobicContact CE-CG1 4.25Å; M220-V233 HydrophobicContact CE-CG2 3.84Å; M220-V233 HydrophobicContact SD-CG1 4.25Å
221A98.7Very high97.7Very high9 Ų968.9 Ų68.97%0.07433%0.325CS..Hα-helixtrans-62.2-35.2179.200000112.4S217 Q218 E219 K225 S294 G295S217-A221 WeakPolarHBondContact O-CB 3.39Å; S217-A221 PolarHBondContact O-N 2.88Å; Q218-A221 PolarHBondContact O-N 2.94Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.97Å; A221-K225 VanDerWaalsContact O-CB 3.25Å; A221-K225 WeakPolarHBondContact O-CB 3.5Å; A221-K225 PolarHBondContact O-N 3.43Å; A221-S294 VanDerWaalsContact CB-OG 3.27Å; A221-S294 WeakPolarHBondContact CB-OG 3.14Å; A221-G295 VanDerWaalsContact CB-CA 3.43Å; A221-G295 VanDerWaalsContact CB-N 3.27Å
222R98.4Very high97.8Very high150 Ų15066.4 Ų66.457%0.56631%0.308SS*.Hα-helixtrans-63.1-49.9174177.7-179.3-76.9-169.6-4.3111.1Q218 E219 M220 K225 Q226Q218-R222 PolarHBondContact O-N 3.04Å; Q218-R222 VanDerWaalsContact O-N 3.11Å; E219-R222 WeakPolarHBondContact O-CB 3.49Å; E219-R222 PolarHBondContact O-N 2.84Å; M220-R222 VanDerWaalsContact C-N 3.26Å; M220-R222 PolarHBondContact O-N 2.77Å; R222-K225 PolarHBondContact O-N 3.1Å; R222-Q226 WeakPolarHBondContact O-CG 3.49Å; R222-Q226 PolarHBondContact O-N 3.01Å
223D98.6Very high97.8Very high92 Ų9264 Ų6449%0.49229%0.291SS..Hα-helixtrans-63.3-42.7179.9-740.3000111.9E219 M220 K225 Q226 R227E219-D223 PolarHBondContact O-N 2.9Å; E219-D223 VanDerWaalsContact O-N 3.13Å; M220-D223 PolarHBondContact O-N 2.9Å; D223-K225 PolarHBondContact O-N 3.22Å; D223-Q226 PolarHBondContact O-N 3.38Å; D223-R227 PolarHBondContact O-N 3.28Å; D223-R227 VanDerWaalsContact O-N 3.09Å
224L98.4Very high97.8Very high10 Ų1063.9 Ų63.95%0.05229%0.29CS..Hα-helixtrans-62.3-42.4176.1-70.9171.2000111.6T146 M220 R227 N228 A229 I231 V233T146-L224 HydrophobicContact CG2-CD2 3.83Å; M220-L224 WeakPolarHBondContact O-CB 3.3Å; M220-L224 VanDerWaalsContact O-CG 3.25Å; M220-L224 WeakPolarHBondContact O-CG 3.48Å; M220-L224 PolarHBondContact O-N 2.92Å; L224-R227 CarbonylContact O-C 3.56Å; L224-R227 PolarHBondContact O-N 2.97Å; L224-N228 PolarHBondContact O-N 2.97Å; L224-N228 VanDerWaalsContact O-N 3.12Å; L224-A229 HydrophobicContact CB-CB 4.25Å; L224-A229 HydrophobicContact CD2-CB 3.67Å; L224-A229 PolarHBondContact O-N 3.32Å; L224-I231 HydrophobicContact CD1-CB 4.1Å; L224-I231 HydrophobicContact CD1-CG2 3.93Å; L224-I231 HydrophobicContact CD2-CB 4.18Å; L224-I231 HydrophobicContact CD2-CD1 4.17Å; L224-V233 HydrophobicContact CD1-CG2 3.38Å
225K97.4Very high97.9Very high178 Ų17863.5 Ų63.577%0.77429%0.288SS*.Hα-helixtrans-64.1-42.8176.1-176.8177.5180179.20111.7A221 R222 D223 R227 N228A221-K225 VanDerWaalsContact O-CB 3.25Å; A221-K225 WeakPolarHBondContact O-CB 3.5Å; A221-K225 PolarHBondContact O-N 3.43Å; R222-K225 PolarHBondContact O-N 3.1Å; D223-K225 PolarHBondContact O-N 3.22Å; K225-R227 VanDerWaalsContact C-N 3.25Å; K225-R227 PolarHBondContact O-N 3.49Å; K225-N228 PolarHBondContact O-N 3.39Å
226Q97.5Very high97.9Very high145 Ų14556.9 Ų56.968%0.67826%0.263SS*.Hα-helixtrans-60.7-35.8177.2-75.4176.7-1.700112.3R222 D223 N228R222-Q226 WeakPolarHBondContact O-CG 3.49Å; R222-Q226 PolarHBondContact O-N 3.01Å; D223-Q226 PolarHBondContact O-N 3.38Å; Q226-N228 VanDerWaalsContact C-N 3.31Å
227R96.2Very high97.7Very high194 Ų19455.2 Ų55.273%0.73226%0.255SS*.THydrogen-bonded Turntrans-85.82.5175.6-67.4-173.7177.7-124.7-0.3114.2D223 L224 K225 A229D223-R227 PolarHBondContact O-N 3.28Å; D223-R227 VanDerWaalsContact O-N 3.09Å; L224-R227 CarbonylContact O-C 3.56Å; L224-R227 PolarHBondContact O-N 2.97Å; K225-R227 VanDerWaalsContact C-N 3.25Å; K225-R227 PolarHBondContact O-N 3.49Å; R227-A229 PolarHBondContact O-N 2.83Å; R227-A229 VanDerWaalsContact O-N 3.14Å
228N94.8Very high97.3Very high149 Ų14955.6 Ų55.680%0.79726%0.257SS*.THydrogen-bonded Turntrans50.334.3-172.6-166.845.4000112.9L224 K225 Q226L224-N228 PolarHBondContact O-N 2.97Å; L224-N228 VanDerWaalsContact O-N 3.12Å; K225-N228 PolarHBondContact O-N 3.39Å; Q226-N228 VanDerWaalsContact C-N 3.31Å
229A95.9Very high96.7Very high17 Ų1753.1 Ų53.114%0.1425%0.252CS..  trans-71.4133.6-17900000110.1L224 R227 I231L224-A229 HydrophobicContact CB-CB 4.25Å; L224-A229 HydrophobicContact CD2-CB 3.67Å; L224-A229 PolarHBondContact O-N 3.32Å; R227-A229 PolarHBondContact O-N 2.83Å; R227-A229 VanDerWaalsContact O-N 3.14Å; A229-I231 PolarHBondContact O-N 3.33Å
230N96Very high95.9Very high34 Ų3451.1 Ų51.118%0.18224%0.244CC..SBendtrans-78.455.8177.5-174.428.5000111.9R153 M157 L184 T186 G187R153-N230 VanDerWaalsContact CD-O 3.23Å; R153-N230 WeakPolarHBondContact CD-O 3.49Å; R153-N230 PolarHBondContact NE-O 2.9Å; M157-N230 HydrophobicContact CE-CB 4.37Å; L184-N230 PolarHBondContact O-ND2 3.01Å; T186-N230 WeakPolarHBondContact CA-O 3.11Å; T186-N230 WeakPolarHBondContact CA-OD1 3.25Å; T186-N230 VanDerWaalsContact CB-OD1 3.32Å; T186-N230 WeakPolarHBondContact CB-OD1 3.36Å; T186-N230 PolarHBondContact OG1-OD1 2.96Å; G187-N230 PolarHBondContact N-O 3.31Å
231I98Very high95.4Very high3 Ų350.2 Ų50.22%0.01524%0.239CC..EExtended strand (participates in β ladder)trans-137.7133.4-178.2-57.1169.4000108.4T146 M149 M150 G187 I189 L224 A229T146-I231 HydrophobicContact CG2-CD1 4.41Å; M149-I231 HydrophobicContact CB-CD1 3.54Å; M149-I231 HydrophobicContact CB-CG1 4.06Å; M149-I231 HydrophobicContact SD-CG2 4.09Å; M150-I231 HydrophobicContact CB-CD1 4.37Å; M150-I231 HydrophobicContact CG-CD1 3.51Å; G187-I231 CarbonylContact O-C 3.59Å; G187-I231 WeakPolarHBondContact O-CA 3.17Å; I189-I231 HydrophobicContact CD1-CG2 4.29Å; I189-I231 HydrophobicContact CG1-CG2 4.44Å; L224-I231 HydrophobicContact CD1-CB 4.1Å; L224-I231 HydrophobicContact CD1-CG2 3.93Å; L224-I231 HydrophobicContact CD2-CB 4.18Å; L224-I231 HydrophobicContact CD2-CD1 4.17Å; A229-I231 PolarHBondContact O-N 3.33Å
232S98.5Very high94.7Very high0 Ų053.3 Ų53.30%025%0.252CS..EExtended strand (participates in β ladder)trans-109.9136172.2-178.40000110.1G187 L188 I189 L290G187-S232 PolarHBondContact O-N 2.99Å; L188-S232 WeakPolarHBondContact CA-O 3.42Å; I189-S232 PolarHBondContact N-O 3.23Å; S232-L290 PolarHBondContact OG-O 3.1Å
233V98.8Very high94.1Very high0 Ų047.1 Ų47.10%023%0.231CC..EExtended strand (participates in β ladder)trans-118.2125.4175-176.70000107.6I189 M220 L224 S294 G295I189-V233 HydrophobicContact CB-CB 4.41Å; I189-V233 HydrophobicContact CB-CG1 4.24Å; I189-V233 HydrophobicContact CB-CG2 4.04Å; I189-V233 HydrophobicContact CD1-CG2 4.19Å; I189-V233 HydrophobicContact CG2-CG1 4.09Å; I189-V233 CarbonylContact O-C 3.56Å; I189-V233 WeakPolarHBondContact O-CA 3.09Å; M220-V233 HydrophobicContact CB-CG1 4.5Å; M220-V233 HydrophobicContact CB-CG2 4.23Å; M220-V233 HydrophobicContact CE-CG1 4.25Å; M220-V233 HydrophobicContact CE-CG2 3.84Å; M220-V233 HydrophobicContact SD-CG1 4.25Å; L224-V233 HydrophobicContact CD1-CG2 3.38Å; V233-S294 PolarHBondContact N-OG 2.82Å; V233-S294 CarbonylContact O-C 3.56Å; V233-S294 WeakPolarHBondContact O-CA 3.36Å; V233-G295 PolarHBondContact O-N 3.25Å
234V98.6Very high93.6Very high0 Ų045.9 Ų45.90%022%0.222CC..EExtended strand (participates in β ladder)trans-132.1146.4-179.8-60.30000110.9L188 I189 V190 N191 I236 R293 L298L188-V234 HydrophobicContact CD1-CG2 3.98Å; I189-V234 PolarHBondContact O-N 3.44Å; V190-V234 WeakPolarHBondContact CA-O 3.42Å; V190-V234 HydrophobicContact CG2-CG2 4.13Å; N191-V234 PolarHBondContact N-O 3.01Å; V234-I236 HydrophobicContact CG2-CG1 4.31Å; V234-R293 HydrophobicContact CG1-CB 4.12Å; V234-R293 WeakPolarHBondContact CG1-O 3.23Å; V234-L298 HydrophobicContact CB-CD1 4.05Å; V234-L298 HydrophobicContact CB-CG 4.45Å; V234-L298 HydrophobicContact CG1-CD1 3.99Å; V234-L298 HydrophobicContact CG2-CD1 4.35Å
235S98.6Very high92.9Very high1 Ų146.4 Ų46.41%0.00723%0.227CC..EExtended strand (participates in β ladder)trans-92.9129.7163.4-77.20000108.6N191 D214 S217 H296 C297 L298N191-S235 CarbonylContact O-C 3.31Å; N191-S235 VanDerWaalsContact O-CA 3.31Å; N191-S235 WeakPolarHBondContact O-CA 3.49Å; D214-S235 WeakPolarHBondContact OD1-CB 3.43Å; D214-S235 PolarHBondContact OD1-OG 3.42Å; S217-S235 PolarHBondContact OG-OG 3.39Å; S235-H296 PolarHBondContact N-O 3.36Å; S235-H296 VanDerWaalsContact N-O 3.11Å; S235-C297 CarbonylContact O-C 3.47Å; S235-C297 WeakPolarHBondContact O-CA 3.12Å; S235-L298 PolarHBondContact O-N 2.88Å
236I97.7Very high92.3Very high2 Ų238.8 Ų38.81%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-105126.2171.4-66.4-178.4000108.9V190 N191 I192 S193 V234 P238 I278 L281 L298 A300V190-I236 HydrophobicContact CG1-CB 4.26Å; V190-I236 HydrophobicContact CG1-CD1 3.59Å; V190-I236 HydrophobicContact CG1-CG1 3.84Å; N191-I236 PolarHBondContact O-N 3.25Å; I192-I236 HydrophobicContact CD1-CB 4.35Å; S193-I236 PolarHBondContact N-O 3.48Å; V234-I236 HydrophobicContact CG2-CG1 4.31Å; I236-P238 VanDerWaalsContact O-CD 3.31Å; I236-P238 WeakPolarHBondContact O-CD 3.5Å; I236-I278 HydrophobicContact CD1-CD1 4.29Å; I236-I278 HydrophobicContact CD1-CG1 3.71Å; I236-L281 HydrophobicContact CD1-CD1 3.98Å; I236-L298 CarbonylContact C-O 3.58Å; I236-L298 WeakPolarHBondContact CA-O 3.46Å; I236-A300 HydrophobicContact CG2-CB 4.05Å
237I95.1Very high91.8Very high1 Ų133.9 Ų33.91%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-92.9105.7168.5-60.5176.1000106.9F195 I198 G239 C297 L298 F299 A300F195-I237 HydrophobicContact CD2-CG2 3.42Å; F195-I237 VanDerWaalsContact CD2-CG2 3.42Å; F195-I237 HydrophobicContact CE2-CG2 3.44Å; F195-I237 VanDerWaalsContact CE2-CG2 3.44Å; F195-I237 HydrophobicContact CG-CG2 4.13Å; F195-I237 HydrophobicContact CZ-CG2 4.19Å; I198-I237 HydrophobicContact CD1-CD1 3.61Å; I198-I237 HydrophobicContact CG1-CD1 4.41Å; I237-G239 VanDerWaalsContact C-N 3.3Å; I237-G239 PolarHBondContact O-N 3.36Å; I237-C297 HydrophobicContact CD1-CB 4.19Å; I237-L298 PolarHBondContact N-O 3.49Å; I237-F299 HydrophobicContact CD1-CD2 4.3Å; I237-F299 HydrophobicContact CD1-CE1 4.35Å; I237-F299 HydrophobicContact CD1-CE2 3.84Å; I237-F299 HydrophobicContact CD1-CZ 3.87Å; I237-A300 PolarHBondContact O-N 2.98Å
238P91.2Very high91.3Very high8 Ų828 Ų285%0.05216%0.164CC..  trans-68.1-29.4-170.3-23.336.2000113.9I192 S193 I236 I241 I269 L274I192-P238 HydrophobicContact CG2-CG 3.75Å; S193-P238 WeakPolarHBondContact O-CD 3.34Å; I236-P238 VanDerWaalsContact O-CD 3.31Å; I236-P238 WeakPolarHBondContact O-CD 3.5Å; P238-I241 HydrophobicContact CB-CD1 3.73Å; P238-I241 HydrophobicContact CB-CG1 3.6Å; P238-I269 WeakPolarHBondContact O-CD1 3.35Å; P238-L274 HydrophobicContact CB-CD1 3.89Å; P238-L274 HydrophobicContact CB-CD2 4.14Å; P238-L274 HydrophobicContact CG-CD1 4.44Å
239G84.2Confident90.7Very high25 Ų2521.8 Ų21.826%0.25813%0.133SC..  trans80.2-160.4-160.700000111.2I237 I241I237-G239 VanDerWaalsContact C-N 3.3Å; I237-G239 PolarHBondContact O-N 3.36Å; G239-I241 PolarHBondContact O-N 3.3Å
240L83.4Confident90.2Very high28 Ų2826.3 Ų26.315%0.14715%0.147CC..SBendtrans-78.1120.1175.5-173.968.3000108.8V246 L256 A263 S264 M267 A268 I269L240-V246 HydrophobicContact CD1-CG1 4.35Å; L240-L256 HydrophobicContact CD1-CD2 4.13Å; L240-A263 HydrophobicContact CD1-CB 4.14Å; L240-A263 HydrophobicContact CD2-CB 3.83Å; L240-S264 WeakPolarHBondContact CD2-O 3.47Å; L240-M267 HydrophobicContact CD2-CB 4.37Å; L240-A268 HydrophobicContact CB-CB 4.26Å; L240-A268 HydrophobicContact CD2-CB 3.74Å; L240-A268 HydrophobicContact CG-CB 3.65Å; L240-A268 CarbonylContact O-C 3.28Å; L240-A268 WeakPolarHBondContact O-CA 3.19Å; L240-I269 PolarHBondContact O-N 2.72Å
241I87Confident89.7Confident9 Ų931.7 Ų31.75%0.04617%0.171CC..EExtended strand (participates in β ladder)trans-108.2137.5-180-55.2-56.1000109.5V19 P238 G239 T243 I269 A271 L274V19-I241 HydrophobicContact CG2-CB 4.08Å; V19-I241 HydrophobicContact CG2-CG1 4.13Å; V19-I241 HydrophobicContact CG2-CG2 4.07Å; P238-I241 HydrophobicContact CB-CD1 3.73Å; P238-I241 HydrophobicContact CB-CG1 3.6Å; G239-I241 PolarHBondContact O-N 3.3Å; I241-T243 VanDerWaalsContact C-N 3.28Å; I241-T243 HydrophobicContact CB-CG2 4.22Å; I241-T243 HydrophobicContact CG2-CG2 3.94Å; I241-T243 PolarHBondContact O-N 3.46Å; I241-I269 WeakPolarHBondContact CA-O 3.42Å; I241-I269 HydrophobicContact CD1-CB 3.81Å; I241-I269 HydrophobicContact CD1-CD1 4.33Å; I241-I269 HydrophobicContact CD1-CG2 4.31Å; I241-A271 HydrophobicContact CG2-CB 3.81Å; I241-L274 HydrophobicContact CD1-CD1 3.68Å; I241-L274 HydrophobicContact CD1-CD2 4.25Å; I241-L274 HydrophobicContact CD1-CG 4.02Å; I241-L274 HydrophobicContact CG1-CD1 3.9Å
242Q84.8Confident89.2Confident74 Ų7435.7 Ų35.735%0.34620%0.199SC..EExtended strand (participates in β ladder)trans-71.685.8172-65.2-179.8-5.700108.9L265 A268 I269Q242-L265 PolarHBondContact NE2-O 3.47Å; Q242-A268 HydrophobicContact CB-CB 4.36Å; Q242-A268 HydrophobicContact CG-CB 3.31Å; Q242-A268 PolarHBondContact NE2-O 3.28Å; Q242-A268 VanDerWaalsContact NE2-O 3.11Å; Q242-I269 PolarHBondContact N-O 2.78Å
243T86.1Confident88.5Confident19 Ų1938.7 Ų38.712%0.11723%0.23CC..  trans-100.3160.6170.166.80000110V19 I241 S245 V246 V247V19-T243 HydrophobicContact CG2-CG2 3.86Å; I241-T243 VanDerWaalsContact C-N 3.28Å; I241-T243 HydrophobicContact CB-CG2 4.22Å; I241-T243 HydrophobicContact CG2-CG2 3.94Å; I241-T243 PolarHBondContact O-N 3.46Å; T243-S245 PolarHBondContact O-N 2.89Å; T243-V246 PolarHBondContact O-N 2.74Å; T243-V246 WeakPolarHBondContact OG1-CG2 3.37Å; T243-V246 PolarHBondContact OG1-N 3.39Å; T243-V247 VanDerWaalsContact O-CG2 3.32Å; T243-V247 WeakPolarHBondContact O-CG2 3.26Å; T243-V247 PolarHBondContact O-N 3Å
244E88.3Confident87.8Confident67 Ų6743.8 Ų43.831%0.31326%0.258SS..Hα-helixtrans-56.7-40.3178.2-50.786.4159.600111G18 Q21 V50 S248G18-E244 WeakPolarHBondContact CA-OE2 3.39Å; G18-E244 PolarHBondContact N-OE1 2.97Å; G18-E244 VanDerWaalsContact N-OE1 3.12Å; G18-E244 PolarHBondContact N-OE2 2.96Å; Q21-E244 PolarHBondContact OE1-OE1 3.13Å; V50-E244 HydrophobicContact CG2-CG 4.45Å; E244-S248 WeakPolarHBondContact O-CB 3.29Å; E244-S248 PolarHBondContact O-N 2.91Å
245S83.5Confident87Confident20 Ų2044.9 Ų44.914%0.1427%0.265CS..Hα-helixtrans-64.6-40.2175.6-60.70000112.4R17 T243 A249R17-S245 PolarHBondContact NH1-OG 3.25Å; R17-S245 VanDerWaalsContact NH1-OG 3.17Å; T243-S245 PolarHBondContact O-N 2.89Å; S245-A249 VanDerWaalsContact O-CB 3.26Å; S245-A249 WeakPolarHBondContact O-CB 3.31Å; S245-A249 PolarHBondContact O-N 2.86Å
246V83.9Confident86.2Confident18 Ų1845.7 Ų45.711%0.10927%0.269CS..Hα-helixtrans-72.5-40.4179.21730000111.2L240 T243 Y250 L256 L265L240-V246 HydrophobicContact CD1-CG1 4.35Å; T243-V246 PolarHBondContact O-N 2.74Å; T243-V246 WeakPolarHBondContact OG1-CG2 3.37Å; T243-V246 PolarHBondContact OG1-N 3.39Å; V246-Y250 WeakPolarHBondContact O-CB 3.48Å; V246-Y250 PolarHBondContact O-N 3.24Å; V246-L256 HydrophobicContact CG2-CD2 4.3Å; V246-L265 HydrophobicContact CG1-CD2 3.86Å
247V86.9Confident85.3Confident42 Ų4250.4 Ų50.426%0.25529%0.289SS..Hα-helixtrans-62.1-50.9174.91730000110.2T243 A249 Y250 E251 L265T243-V247 VanDerWaalsContact O-CG2 3.32Å; T243-V247 WeakPolarHBondContact O-CG2 3.26Å; T243-V247 PolarHBondContact O-N 3Å; V247-A249 PolarHBondContact O-N 3.18Å; V247-Y250 PolarHBondContact O-N 2.8Å; V247-Y250 VanDerWaalsContact O-N 3.17Å; V247-E251 HydrophobicContact CG1-CG 4.31Å; V247-E251 WeakPolarHBondContact CG1-OE1 3.49Å; V247-E251 WeakPolarHBondContact O-CB 3.37Å; V247-E251 WeakPolarHBondContact O-CG 3.37Å; V247-E251 PolarHBondContact O-N 3.23Å; V247-L265 HydrophobicContact CB-CD2 4.46Å; V247-L265 HydrophobicContact CG1-CD1 4.43Å; V247-L265 HydrophobicContact CG2-CD1 4.38Å; V247-L265 HydrophobicContact CG2-CD2 3.92Å
248S86.1Confident84.4Confident72 Ų7251.2 Ų51.250%0.50329%0.294SS..Hα-helixtrans-60.9-41.7178.6179.70000112.7E244 Y250 E251 S252E244-S248 WeakPolarHBondContact O-CB 3.29Å; E244-S248 PolarHBondContact O-N 2.91Å; S248-Y250 PolarHBondContact O-N 2.86Å; S248-E251 PolarHBondContact O-N 3.29Å; S248-S252 WeakPolarHBondContact O-CB 3.28Å; S248-S252 PolarHBondContact O-N 3.46Å; S248-S252 PolarHBondContact O-OG 3.33Å
249A83.1Confident83.6Confident17 Ų1754.2 Ų54.214%0.1431%0.306CS..Hα-helixtrans-61.1-43.2174.900000112.2S245 V247 S252 N254S245-A249 VanDerWaalsContact O-CB 3.26Å; S245-A249 WeakPolarHBondContact O-CB 3.31Å; S245-A249 PolarHBondContact O-N 2.86Å; V247-A249 PolarHBondContact O-N 3.18Å; A249-S252 WeakPolarHBondContact CA-OG 3.3Å; A249-S252 PolarHBondContact O-OG 3.39Å; A249-N254 CarbonylContact C-O 3.53Å; A249-N254 CarbonylContact O-C 3.06Å; A249-N254 WeakPolarHBondContact O-CA 3.42Å; A249-N254 PolarHBondContact O-N 3.28Å
250Y84Confident83.2Confident112 Ų11255.4 Ų55.444%0.43932%0.318SS..Hα-helixtrans-66.7-44.8176.9-174.8-87.3000112.5V246 V247 S248 S252 G253 P255 L265V246-Y250 WeakPolarHBondContact O-CB 3.48Å; V246-Y250 PolarHBondContact O-N 3.24Å; V247-Y250 PolarHBondContact O-N 2.8Å; V247-Y250 VanDerWaalsContact O-N 3.17Å; S248-Y250 PolarHBondContact O-N 2.86Å; Y250-S252 VanDerWaalsContact C-N 3.34Å; Y250-S252 PolarHBondContact O-N 3.43Å; Y250-G253 PolarHBondContact O-N 3.02Å; Y250-G253 VanDerWaalsContact O-N 3.12Å; Y250-P255 HydrophobicContact CD2-CB 4.02Å; Y250-L265 HydrophobicContact CD1-CD1 3.38Å; Y250-L265 HydrophobicContact CD1-CG 3.72Å; Y250-L265 HydrophobicContact CD2-CG 3.96Å; Y250-L265 HydrophobicContact CE1-CD1 4.08Å; Y250-L265 HydrophobicContact CE1-CG 4.32Å; Y250-L265 HydrophobicContact CG-CD1 3.66Å; Y250-L265 HydrophobicContact CG-CD2 4.38Å; Y250-L265 HydrophobicContact CG-CG 3.52Å
251E86.4Confident82.9Confident148 Ų14858.9 Ų58.969%0.69233%0.33SS*.Hα-helixtrans-68.4-31.3-179-72.3176.9170.900113.1V247 S248 G253V247-E251 HydrophobicContact CG1-CG 4.31Å; V247-E251 WeakPolarHBondContact CG1-OE1 3.49Å; V247-E251 WeakPolarHBondContact O-CB 3.37Å; V247-E251 WeakPolarHBondContact O-CG 3.37Å; V247-E251 PolarHBondContact O-N 3.23Å; S248-E251 PolarHBondContact O-N 3.29Å; E251-G253 PolarHBondContact O-N 3.24Å
252S86.8Confident82.6Confident86 Ų8663.1 Ų63.160%0.60135%0.353SS*.THydrogen-bonded Turntrans-74.81.7172.656.80000113.9S248 A249 Y250 N254S248-S252 WeakPolarHBondContact O-CB 3.28Å; S248-S252 PolarHBondContact O-N 3.46Å; S248-S252 PolarHBondContact O-OG 3.33Å; A249-S252 WeakPolarHBondContact CA-OG 3.3Å; A249-S252 PolarHBondContact O-OG 3.39Å; Y250-S252 VanDerWaalsContact C-N 3.34Å; Y250-S252 PolarHBondContact O-N 3.43Å; S252-N254 VanDerWaalsContact C-N 3.28Å; S252-N254 PolarHBondContact O-N 2.91Å
253G84.5Confident82.3Confident64 Ų6459.9 Ų59.966%0.6634%0.339SS*.THydrogen-bonded Turntrans76.811.1179.900000114.3Y250 E251 P255Y250-G253 PolarHBondContact O-N 3.02Å; Y250-G253 VanDerWaalsContact O-N 3.12Å; E251-G253 PolarHBondContact O-N 3.24Å; G253-P255 VanDerWaalsContact C-CD 3.42Å; G253-P255 WeakPolarHBondContact O-CD 3.47Å
254N83.5Confident81.8Confident107 Ų10760.9 Ų60.957%0.57235%0.347SS*.  trans-118.768.1175.6-169.121.2000110.7A249 S252A249-N254 CarbonylContact C-O 3.53Å; A249-N254 CarbonylContact O-C 3.06Å; A249-N254 WeakPolarHBondContact O-CA 3.42Å; A249-N254 PolarHBondContact O-N 3.28Å; S252-N254 VanDerWaalsContact C-N 3.28Å; S252-N254 PolarHBondContact O-N 2.91Å
255P82.4Confident81.2Confident22 Ų2259.1 Ų59.114%0.14334%0.339CS..  trans-59.9148.5-175.327.4-36.3000111.8Y250 G253 K257 D262Y250-P255 HydrophobicContact CD2-CB 4.02Å; G253-P255 VanDerWaalsContact C-CD 3.42Å; G253-P255 WeakPolarHBondContact O-CD 3.47Å; P255-K257 PolarHBondContact O-N 3.07Å; P255-D262 HydrophobicContact CB-CB 4.17Å; P255-D262 HydrophobicContact CG-CB 3.65Å
256L81.9Confident80.7Confident19 Ų1969.2 Ų69.210%0.09937%0.374CS..  trans-58.3122.1177.1176.160000110.7L109 F202 L240 V246 L258 A263L109-L256 HydrophobicContact CD2-CD1 3.36Å; L109-L256 HydrophobicContact CD2-CD2 4.46Å; L109-L256 HydrophobicContact CD2-CG 4.33Å; F202-L256 HydrophobicContact CE1-CD1 3.65Å; F202-L256 HydrophobicContact CZ-CD1 4.06Å; F202-L256 HydrophobicContact CZ-CD2 4.44Å; L240-L256 HydrophobicContact CD1-CD2 4.13Å; V246-L256 HydrophobicContact CG2-CD2 4.3Å; L256-L258 PolarHBondContact O-N 3.28Å; L256-A263 HydrophobicContact CB-CB 4.39Å; L256-A263 WeakPolarHBondContact O-CB 3.45Å; L256-A263 PolarHBondContact O-N 3.08Å
257K79.2Confident80.2Confident101 Ų10169.9 Ų69.944%0.43938%0.376SS..EExtended strand (participates in β ladder)trans-83.4115.1174.5-67.8-176.8-179.5-1790111.2N112 P255 Y261 D262N112-K257 PolarHBondContact ND2-O 3.16Å; P255-K257 PolarHBondContact O-N 3.07Å; K257-Y261 CarbonylContact C-O 3.5Å; K257-Y261 VanDerWaalsContact CA-O 3.3Å; K257-Y261 WeakPolarHBondContact CA-O 3.49Å; K257-D262 WeakPolarHBondContact CE-OD1 3.31Å; K257-D262 WeakPolarHBondContact CG-OD1 3.48Å
258L75.7Confident80Confident18 Ų1868 Ų689%0.09437%0.366CS..EExtended strand (participates in β ladder)trans-114.4126.2174.1-163.175.7000108.9I201 L256 G260 Y261 L320 L329I201-L258 HydrophobicContact CB-CD1 4.27Å; I201-L258 HydrophobicContact CD1-CD1 4.21Å; I201-L258 HydrophobicContact CG2-CD1 4.01Å; L256-L258 PolarHBondContact O-N 3.28Å; L258-G260 PolarHBondContact O-N 3.11Å; L258-G260 VanDerWaalsContact O-N 3.15Å; L258-Y261 PolarHBondContact N-O 3.06Å; L258-Y261 PolarHBondContact O-N 3.05Å; L258-L320 HydrophobicContact CD2-CD1 4.05Å; L258-L329 HydrophobicContact CB-CD1 4.38Å; L258-L329 HydrophobicContact CD2-CD1 4.38Å
259F74.4Confident79.9Confident71 Ų7164.7 Ų64.731%0.31134%0.342SS..THydrogen-bonded Turntrans55.827-175.2-53.2-74.2000114.2F195 T199 I201 Y261 L320 L329F195-F259 HydrophobicContact CB-CZ 4.15Å; F195-F259 HydrophobicContact CD1-CZ 4.38Å; F195-F259 HydrophobicContact CG-CZ 4.43Å; T199-F259 HydrophobicContact CG2-CE1 3.5Å; T199-F259 HydrophobicContact CG2-CZ 3.97Å; I201-F259 HydrophobicContact CG2-CD1 4.04Å; I201-F259 HydrophobicContact CG2-CE1 3.51Å; I201-F259 HydrophobicContact CG2-CE2 4.32Å; I201-F259 HydrophobicContact CG2-CZ 3.69Å; F259-Y261 VanDerWaalsContact C-N 3.35Å; F259-Y261 HydrophobicContact CB-CD2 4.4Å; F259-Y261 VanDerWaalsContact O-CD2 3.23Å; F259-Y261 WeakPolarHBondContact O-CD2 3.32Å; F259-Y261 WeakPolarHBondContact O-CE2 3.39Å; F259-L320 HydrophobicContact CE2-CD1 4.35Å; F259-L329 HydrophobicContact CB-CD2 4.46Å; F259-L329 HydrophobicContact CD2-CD2 3.45Å; F259-L329 VanDerWaalsContact CD2-CD2 3.45Å; F259-L329 HydrophobicContact CE2-CD2 4.11Å; F259-L329 HydrophobicContact CG-CD2 4.32Å
260G75Confident80.2Confident50 Ų5065.1 Ų65.152%0.51534%0.344SS..THydrogen-bonded Turntrans85.5-1.6-176.200000115.2L258L258-G260 PolarHBondContact O-N 3.11Å; L258-G260 VanDerWaalsContact O-N 3.15Å
261Y77.8Confident80.4Confident101 Ų10160.4 Ų60.440%0.39633%0.327SS..EExtended strand (participates in β ladder)trans-112.6147.3-178.8-59.7-83.3000112.4K257 L258 F259 A263 L329 I330K257-Y261 CarbonylContact C-O 3.5Å; K257-Y261 VanDerWaalsContact CA-O 3.3Å; K257-Y261 WeakPolarHBondContact CA-O 3.49Å; L258-Y261 PolarHBondContact N-O 3.06Å; L258-Y261 PolarHBondContact O-N 3.05Å; F259-Y261 VanDerWaalsContact C-N 3.35Å; F259-Y261 HydrophobicContact CB-CD2 4.4Å; F259-Y261 VanDerWaalsContact O-CD2 3.23Å; F259-Y261 WeakPolarHBondContact O-CD2 3.32Å; F259-Y261 WeakPolarHBondContact O-CE2 3.39Å; Y261-A263 PolarHBondContact O-N 3.34Å; Y261-L329 VanDerWaalsContact CB-O 3.29Å; Y261-L329 WeakPolarHBondContact CB-O 3.43Å; Y261-I330 HydrophobicContact CD2-CG1 4.32Å; Y261-I330 HydrophobicContact CE1-CB 4.36Å; Y261-I330 HydrophobicContact CE1-CG2 3.94Å; Y261-I330 HydrophobicContact CE2-CB 4.41Å; Y261-I330 HydrophobicContact CE2-CG1 3.88Å; Y261-I330 HydrophobicContact CE2-CG2 4.44Å
262D80.6Confident80.7Confident97 Ų9755.1 Ų55.152%0.51931%0.306SS..EExtended strand (participates in β ladder)trans-68.9117.7177.8-65.3-18.9000110.9P255 K257P255-D262 HydrophobicContact CB-CB 4.17Å; P255-D262 HydrophobicContact CG-CB 3.65Å; K257-D262 WeakPolarHBondContact CE-OD1 3.31Å; K257-D262 WeakPolarHBondContact CG-OD1 3.48Å
263A77.8Confident80.9Confident7 Ų752 Ų526%0.05828%0.283CS..PPolyproline II helixtrans-74.1135.6175.700000110.6L240 L256 Y261L240-A263 HydrophobicContact CD1-CB 4.14Å; L240-A263 HydrophobicContact CD2-CB 3.83Å; L256-A263 HydrophobicContact CB-CB 4.39Å; L256-A263 WeakPolarHBondContact O-CB 3.45Å; L256-A263 PolarHBondContact O-N 3.08Å; Y261-A263 PolarHBondContact O-N 3.34Å
264S76.5Confident81.5Confident40 Ų4049.1 Ų49.128%0.2825%0.252SS..PPolyproline II helixtrans-101.5142.917764.50000112.4L240 R266 M267L240-S264 WeakPolarHBondContact CD2-O 3.47Å; S264-R266 PolarHBondContact O-N 3.18Å; S264-M267 WeakPolarHBondContact O-CB 3.42Å; S264-M267 PolarHBondContact O-N 3.27Å; S264-M267 VanDerWaalsContact O-N 3.07Å; S264-M267 WeakPolarHBondContact OG-CG 3.36Å
265L75.9Confident82.1Confident30 Ų3044 Ų4416%0.15723%0.225CC..G310 helixtrans-61.4-31.6178.5-69179.6000113.6Q242 V246 V247 Y250 M267 A268Q242-L265 PolarHBondContact NE2-O 3.47Å; V246-L265 HydrophobicContact CG1-CD2 3.86Å; V247-L265 HydrophobicContact CB-CD2 4.46Å; V247-L265 HydrophobicContact CG1-CD1 4.43Å; V247-L265 HydrophobicContact CG2-CD1 4.38Å; V247-L265 HydrophobicContact CG2-CD2 3.92Å; Y250-L265 HydrophobicContact CD1-CD1 3.38Å; Y250-L265 HydrophobicContact CD1-CG 3.72Å; Y250-L265 HydrophobicContact CD2-CG 3.96Å; Y250-L265 HydrophobicContact CE1-CD1 4.08Å; Y250-L265 HydrophobicContact CE1-CG 4.32Å; Y250-L265 HydrophobicContact CG-CD1 3.66Å; Y250-L265 HydrophobicContact CG-CD2 4.38Å; Y250-L265 HydrophobicContact CG-CG 3.52Å; L265-M267 PolarHBondContact O-N 3.47Å; L265-M267 VanDerWaalsContact O-N 3.16Å; L265-A268 WeakPolarHBondContact O-CB 3.4Å; L265-A268 PolarHBondContact O-N 2.89Å
266R73.3Confident82.7Confident232 Ų23245.3 Ų45.388%0.87523%0.23SC*.G310 helixtrans-59.8-26.1176.5-174.1175.3177.6-1780.9112.7S264 A268S264-R266 PolarHBondContact O-N 3.18Å; R266-A268 VanDerWaalsContact C-N 3.34Å
267M72Confident83.4Confident31 Ų3144.4 Ų44.415%0.15323%0.226CC..G310 helixtrans-86.8-11.3-178.5-62.6-69-7600112.7L240 S264 L265 T318 Q328L240-M267 HydrophobicContact CD2-CB 4.37Å; S264-M267 WeakPolarHBondContact O-CB 3.42Å; S264-M267 PolarHBondContact O-N 3.27Å; S264-M267 VanDerWaalsContact O-N 3.07Å; S264-M267 WeakPolarHBondContact OG-CG 3.36Å; L265-M267 PolarHBondContact O-N 3.47Å; L265-M267 VanDerWaalsContact O-N 3.16Å; M267-T318 WeakPolarHBondContact CA-OG1 3.43Å; M267-T318 HydrophobicContact CB-CG2 4.48Å; M267-T318 WeakPolarHBondContact CB-OG1 3.34Å; M267-T318 HydrophobicContact CE-CG2 3.2Å; M267-T318 WeakPolarHBondContact CE-OG1 3.29Å; M267-T318 VanDerWaalsContact O-CB 3.28Å; M267-T318 WeakPolarHBondContact O-CB 3.23Å; M267-T318 PolarHBondContact O-OG1 3.3Å; M267-T318 HydrophobicContact SD-CG2 4.38Å; M267-T318 PolarHBondContact SD-OG1 3.48Å; M267-Q328 HydrophobicContact CE-CB 3.35Å; M267-Q328 HydrophobicContact CE-CG 4.17Å; M267-Q328 HydrophobicContact SD-CB 4.2Å
268A82.3Confident84.3Confident4 Ų439.7 Ų39.73%0.03321%0.205CC..SBendtrans-86.9141.1-172.100000111.7L240 Q242 L265 R266L240-A268 HydrophobicContact CB-CB 4.26Å; L240-A268 HydrophobicContact CD2-CB 3.74Å; L240-A268 HydrophobicContact CG-CB 3.65Å; L240-A268 CarbonylContact O-C 3.28Å; L240-A268 WeakPolarHBondContact O-CA 3.19Å; Q242-A268 HydrophobicContact CB-CB 4.36Å; Q242-A268 HydrophobicContact CG-CB 3.31Å; Q242-A268 PolarHBondContact NE2-O 3.28Å; Q242-A268 VanDerWaalsContact NE2-O 3.11Å; L265-A268 WeakPolarHBondContact O-CB 3.4Å; L265-A268 PolarHBondContact O-N 2.89Å; R266-A268 VanDerWaalsContact C-N 3.34Å
269I85.3Confident85.3Confident2 Ų238.9 Ų38.91%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-77.8132.6175.4-63.6161.9000108.7P238 L240 I241 Q242 A271 I273 P301 F317P238-I269 WeakPolarHBondContact O-CD1 3.35Å; L240-I269 PolarHBondContact O-N 2.72Å; I241-I269 WeakPolarHBondContact CA-O 3.42Å; I241-I269 HydrophobicContact CD1-CB 3.81Å; I241-I269 HydrophobicContact CD1-CD1 4.33Å; I241-I269 HydrophobicContact CD1-CG2 4.31Å; Q242-I269 PolarHBondContact N-O 2.78Å; I269-A271 PolarHBondContact O-N 3.44Å; I269-I273 HydrophobicContact CG2-CB 3.61Å; I269-I273 HydrophobicContact CG2-CG1 4.1Å; I269-I273 HydrophobicContact CG2-CG2 3.7Å; I269-P301 HydrophobicContact CD1-CG 3.94Å; I269-F317 HydrophobicContact CB-CD1 4.24Å; I269-F317 HydrophobicContact CB-CG 4.5Å; I269-F317 HydrophobicContact CD1-CB 4.12Å; I269-F317 HydrophobicContact CD1-CG 4.43Å; I269-F317 HydrophobicContact CG1-CB 3.6Å; I269-F317 HydrophobicContact CG1-CD1 3.77Å; I269-F317 HydrophobicContact CG1-CD2 4.38Å; I269-F317 HydrophobicContact CG1-CG 3.65Å; I269-F317 HydrophobicContact CG2-CD1 4.27Å; I269-F317 HydrophobicContact CG2-CE1 4.3Å; I269-F317 HydrophobicContact CG2-CG 4.44Å; I269-F317 HydrophobicContact CG2-CZ 4.48Å
270P88.9Confident86.3Confident26 Ų2636.5 Ų36.517%0.16919%0.193CC..EExtended strand (participates in β ladder)trans-57.1133.4170-24.234.3000111.5P272 I273 F317P270-P272 VanDerWaalsContact C-CD 3.45Å; P270-P272 VanDerWaalsContact O-N 3.17Å; P270-I273 HydrophobicContact CB-CG1 4.16Å; P270-I273 HydrophobicContact CG-CG1 4.46Å; P270-I273 WeakPolarHBondContact O-CB 3.37Å; P270-I273 WeakPolarHBondContact O-CG1 3.37Å; P270-I273 PolarHBondContact O-N 3.39Å; P270-I273 VanDerWaalsContact O-N 3.12Å; P270-F317 VanDerWaalsContact CD-CE1 3.44Å; P270-F317 HydrophobicContact CG-CE1 4.37Å
271A88.3Confident87.4Confident12 Ų1234.1 Ų34.110%0.09917%0.169CC..THydrogen-bonded Turntrans-53.7-39.2-171.700000115.5G22 I241 I269 I273 L274G22-A271 CarbonylContact C-O 3.6Å; G22-A271 VanDerWaalsContact CA-C 3.47Å; G22-A271 WeakPolarHBondContact CA-O 3.44Å; I241-A271 HydrophobicContact CG2-CB 3.81Å; I269-A271 PolarHBondContact O-N 3.44Å; A271-I273 PolarHBondContact O-N 2.91Å; A271-L274 PolarHBondContact O-N 3.32Å
272P91.7Very high88.2Confident37 Ų3729.4 Ų29.424%0.2415%0.151CC..Hα-helixtrans-59.2-27.4179.6-27.937.7000115.7G22 I25 P270 L274 G275 D276G22-P272 WeakPolarHBondContact O-CA 3.05Å; I25-P272 HydrophobicContact CG2-CB 4.31Å; I25-P272 HydrophobicContact CG2-CG 4.37Å; P270-P272 VanDerWaalsContact C-CD 3.45Å; P270-P272 VanDerWaalsContact O-N 3.17Å; P272-L274 PolarHBondContact O-N 2.97Å; P272-G275 WeakPolarHBondContact O-CA 3.3Å; P272-G275 PolarHBondContact O-N 3.28Å; P272-D276 PolarHBondContact O-N 2.98Å
273I92.8Very high88.8Confident22 Ų2228.1 Ų28.111%0.11314%0.141CC..Hα-helixtrans-60.2-30.5-177.6-62.6-63000112I269 P270 A271 G275 D276 V277 T304 I309 F317I269-I273 HydrophobicContact CG2-CB 3.61Å; I269-I273 HydrophobicContact CG2-CG1 4.1Å; I269-I273 HydrophobicContact CG2-CG2 3.7Å; P270-I273 HydrophobicContact CB-CG1 4.16Å; P270-I273 HydrophobicContact CG-CG1 4.46Å; P270-I273 WeakPolarHBondContact O-CB 3.37Å; P270-I273 WeakPolarHBondContact O-CG1 3.37Å; P270-I273 PolarHBondContact O-N 3.39Å; P270-I273 VanDerWaalsContact O-N 3.12Å; A271-I273 PolarHBondContact O-N 2.91Å; I273-G275 VanDerWaalsContact C-N 3.31Å; I273-G275 PolarHBondContact O-N 2.94Å; I273-D276 WeakPolarHBondContact O-CB 3.5Å; I273-D276 PolarHBondContact O-N 3.23Å; I273-V277 WeakPolarHBondContact O-CG2 3.19Å; I273-V277 PolarHBondContact O-N 3.18Å; I273-T304 HydrophobicContact CG2-CG2 3.59Å; I273-I309 HydrophobicContact CD1-CG2 3.9Å; I273-I309 HydrophobicContact CG2-CG2 3.93Å; I273-F317 HydrophobicContact CD1-CZ 4.12Å; I273-F317 HydrophobicContact CG1-CE2 4.39Å; I273-F317 HydrophobicContact CG1-CZ 3.88Å; I273-F317 HydrophobicContact CG2-CE2 3.86Å; I273-F317 HydrophobicContact CG2-CZ 4.19Å
274L95.2Very high89.5Confident3 Ų328.6 Ų28.62%0.01614%0.142CC..Hα-helixtrans-66.9-33.9175.5-69175.4000112.5V19 I23 P238 I241 A271 P272 V277 I278 A300V19-L274 HydrophobicContact CG1-CD1 3.64Å; I23-L274 HydrophobicContact CD1-CB 4.34Å; I23-L274 HydrophobicContact CD1-CD1 4.47Å; I23-L274 HydrophobicContact CG1-CB 3.63Å; I23-L274 HydrophobicContact CG1-CD1 4.39Å; P238-L274 HydrophobicContact CB-CD1 3.89Å; P238-L274 HydrophobicContact CB-CD2 4.14Å; P238-L274 HydrophobicContact CG-CD1 4.44Å; I241-L274 HydrophobicContact CD1-CD1 3.68Å; I241-L274 HydrophobicContact CD1-CD2 4.25Å; I241-L274 HydrophobicContact CD1-CG 4.02Å; I241-L274 HydrophobicContact CG1-CD1 3.9Å; A271-L274 PolarHBondContact O-N 3.32Å; P272-L274 PolarHBondContact O-N 2.97Å; L274-V277 PolarHBondContact O-N 2.87Å; L274-I278 VanDerWaalsContact O-CG1 3.3Å; L274-I278 WeakPolarHBondContact O-CG1 3.42Å; L274-I278 PolarHBondContact O-N 3.02Å; L274-A300 HydrophobicContact CD2-CB 3.4Å; L274-A300 VanDerWaalsContact CD2-CB 3.4Å
275G96.6Very high90Very high0 Ų027.4 Ų27.40%013%0.134CC..Hα-helixtrans-65.6-41.217300000111.2I23 P272 I273 V277 I278 A279I23-G275 WeakPolarHBondContact O-CA 3.33Å; P272-G275 WeakPolarHBondContact O-CA 3.3Å; P272-G275 PolarHBondContact O-N 3.28Å; I273-G275 VanDerWaalsContact C-N 3.31Å; I273-G275 PolarHBondContact O-N 2.94Å; G275-V277 VanDerWaalsContact C-N 3.35Å; G275-V277 PolarHBondContact O-N 3.23Å; G275-I278 PolarHBondContact O-N 2.95Å; G275-A279 WeakPolarHBondContact O-CB 3.44Å; G275-A279 PolarHBondContact O-N 3.18Å
276D95.4Very high90Very high49 Ų4931.7 Ų31.726%0.26216%0.157SC..Hα-helixtrans-62-42.3175.2-58.3-28.7000111.6P272 I273 A279 C280 I309P272-D276 PolarHBondContact O-N 2.98Å; I273-D276 WeakPolarHBondContact O-CB 3.5Å; I273-D276 PolarHBondContact O-N 3.23Å; D276-A279 PolarHBondContact O-N 3Å; D276-C280 WeakPolarHBondContact O-CB 3.2Å; D276-C280 PolarHBondContact O-N 3.17Å; D276-C280 PolarHBondContact O-SG 3.49Å; D276-C280 VanDerWaalsContact O-SG 3.34Å; D276-I309 HydrophobicContact CB-CD1 4.05Å
277V96.1Very high90.3Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-59.6-46.1174.5165.70000111.5I273 L274 G275 A279 C280 L281 L303 T304 F307 I309I273-V277 WeakPolarHBondContact O-CG2 3.19Å; I273-V277 PolarHBondContact O-N 3.18Å; L274-V277 PolarHBondContact O-N 2.87Å; G275-V277 VanDerWaalsContact C-N 3.35Å; G275-V277 PolarHBondContact O-N 3.23Å; V277-A279 VanDerWaalsContact C-N 3.34Å; V277-C280 PolarHBondContact O-N 2.93Å; V277-L281 HydrophobicContact CG1-CD1 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.43Å; V277-L281 PolarHBondContact O-N 3.22Å; V277-L303 HydrophobicContact CG1-CB 3.65Å; V277-L303 HydrophobicContact CG1-CD1 3.43Å; V277-L303 VanDerWaalsContact CG1-CD1 3.43Å; V277-L303 HydrophobicContact CG1-CG 4.21Å; V277-L303 HydrophobicContact CG2-CB 4.39Å; V277-T304 HydrophobicContact CG2-CG2 3.56Å; V277-F307 HydrophobicContact CG1-CE2 4.32Å; V277-I309 HydrophobicContact CG2-CD1 3.79Å
278I97.7Very high91Very high1 Ų131 Ų311%0.00516%0.164CC..Hα-helixtrans-66.4-39.1178.8-67.1165.5000110.6I23 L27 I96 V98 L188 V190 I236 L274 G275 L281 A282I23-I278 HydrophobicContact CD1-CD1 4.13Å; I23-I278 HydrophobicContact CG1-CD1 4.11Å; I23-I278 HydrophobicContact CG2-CD1 3.66Å; L27-I278 HydrophobicContact CD2-CB 4.32Å; L27-I278 HydrophobicContact CD2-CG2 3.97Å; I96-I278 HydrophobicContact CG2-CG2 3.9Å; V98-I278 HydrophobicContact CG1-CD1 4.41Å; V98-I278 HydrophobicContact CG2-CD1 4.22Å; L188-I278 HydrophobicContact CD2-CG2 4.13Å; V190-I278 HydrophobicContact CG1-CD1 4.07Å; V190-I278 HydrophobicContact CG1-CG1 4.44Å; V190-I278 HydrophobicContact CG2-CD1 4.39Å; V190-I278 HydrophobicContact CG2-CG1 4.29Å; V190-I278 HydrophobicContact CG2-CG2 4.11Å; I236-I278 HydrophobicContact CD1-CD1 4.29Å; I236-I278 HydrophobicContact CD1-CG1 3.71Å; L274-I278 VanDerWaalsContact O-CG1 3.3Å; L274-I278 WeakPolarHBondContact O-CG1 3.42Å; L274-I278 PolarHBondContact O-N 3.02Å; G275-I278 PolarHBondContact O-N 2.95Å; I278-L281 WeakPolarHBondContact O-CB 3.39Å; I278-L281 PolarHBondContact O-N 3.11Å; I278-A282 PolarHBondContact O-N 3.43Å
279A97.2Very high91.6Very high1 Ų134.3 Ų34.31%0.00818%0.178CC..Hα-helixtrans-61.5-45174.800000111.6L5 L27 A30 G275 D276 V277 L281 A282 Q283L5-A279 HydrophobicContact CD1-CB 3.68Å; L5-A279 HydrophobicContact CG-CB 4.16Å; L27-A279 HydrophobicContact CD2-CB 4.35Å; A30-A279 HydrophobicContact CB-CB 4.07Å; G275-A279 WeakPolarHBondContact O-CB 3.44Å; G275-A279 PolarHBondContact O-N 3.18Å; D276-A279 PolarHBondContact O-N 3Å; V277-A279 VanDerWaalsContact C-N 3.34Å; A279-L281 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 3.42Å; A279-A282 PolarHBondContact O-N 3.09Å; A279-Q283 WeakPolarHBondContact O-CG 3.33Å; A279-Q283 PolarHBondContact O-N 2.91Å
280C96.2Very high92.1Very high22 Ų2234.2 Ų34.215%0.14918%0.177CC..Hα-helixtrans-62.5-37.7175-72.90000112.7S3 D276 V277 Q283 F307S3-C280 WeakPolarHBondContact OG-CA 3.48Å; S3-C280 PolarHBondContact OG-N 3.02Å; S3-C280 PolarHBondContact OG-SG 3.39Å; D276-C280 WeakPolarHBondContact O-CB 3.2Å; D276-C280 PolarHBondContact O-N 3.17Å; D276-C280 PolarHBondContact O-SG 3.49Å; D276-C280 VanDerWaalsContact O-SG 3.34Å; V277-C280 PolarHBondContact O-N 2.93Å; C280-Q283 PolarHBondContact O-N 2.78Å; C280-F307 HydrophobicContact CB-CB 4.23Å; C280-F307 HydrophobicContact CB-CD1 4.13Å; C280-F307 HydrophobicContact CB-CD2 3.28Å; C280-F307 HydrophobicContact CB-CE1 4.35Å; C280-F307 HydrophobicContact CB-CE2 3.52Å; C280-F307 HydrophobicContact CB-CG 3.62Å; C280-F307 HydrophobicContact CB-CZ 4.07Å
281L96.9Very high92.5Very high0 Ų035.9 Ų35.90%018%0.184CC..Hα-helixtrans-61.8-45.6173.1-77.4170.6000111.4L188 I236 V277 I278 A279 Q283 Q284 L290 L298 L303 F307L188-L281 HydrophobicContact CD2-CB 3.97Å; I236-L281 HydrophobicContact CD1-CD1 3.98Å; V277-L281 HydrophobicContact CG1-CD1 4.42Å; V277-L281 WeakPolarHBondContact O-CG 3.43Å; V277-L281 PolarHBondContact O-N 3.22Å; I278-L281 WeakPolarHBondContact O-CB 3.39Å; I278-L281 PolarHBondContact O-N 3.11Å; A279-L281 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 3.42Å; L281-Q283 PolarHBondContact O-N 3.24Å; L281-Q284 VanDerWaalsContact O-CB 3.28Å; L281-Q284 WeakPolarHBondContact O-CB 3.35Å; L281-Q284 PolarHBondContact O-N 2.91Å; L281-L290 HydrophobicContact CB-CD1 4.18Å; L281-L290 HydrophobicContact CD2-CD1 4.4Å; L281-L298 HydrophobicContact CD1-CD1 4.22Å; L281-L298 HydrophobicContact CD2-CD1 4.14Å; L281-L303 HydrophobicContact CD1-CD1 3.89Å; L281-L303 HydrophobicContact CD2-CD1 4.43Å; L281-L303 HydrophobicContact CD2-CD2 4.31Å; L281-L303 HydrophobicContact CG-CD1 4.37Å; L281-F307 HydrophobicContact CD2-CE2 4.3Å; L281-F307 HydrophobicContact CD2-CZ 3.86Å; L281-F307 HydrophobicContact CG-CE2 4.05Å; L281-F307 HydrophobicContact CG-CZ 4.06Å
282A96.5Very high92.8Very high2 Ų241.9 Ų41.92%0.01721%0.211CC..Hα-helixtrans-60.6-33.6179.200000112.7L5 Y8 I96 L188 I278 A279 Q284 S285L5-A282 HydrophobicContact CD2-CB 3.95Å; Y8-A282 HydrophobicContact CE1-CB 4.31Å; I96-A282 HydrophobicContact CD1-CB 3.64Å; I96-A282 HydrophobicContact CG1-CB 4.42Å; L188-A282 HydrophobicContact CD2-CB 4.36Å; I278-A282 PolarHBondContact O-N 3.43Å; A279-A282 PolarHBondContact O-N 3.09Å; A282-Q284 PolarHBondContact O-N 3.38Å; A282-S285 VanDerWaalsContact O-CB 3.28Å; A282-S285 WeakPolarHBondContact O-CB 3.24Å; A282-S285 PolarHBondContact O-N 2.87Å; A282-S285 VanDerWaalsContact O-N 3.1Å
283Q93.2Very high93.1Very high69 Ų6941.7 Ų41.732%0.32221%0.205SC..G310 helixtrans-65.9-16.4174.5-64-56.7-43.600113.9D4 A279 C280 L281 S285D4-Q283 PolarHBondContact O-NE2 3.27Å; A279-Q283 WeakPolarHBondContact O-CG 3.33Å; A279-Q283 PolarHBondContact O-N 2.91Å; C280-Q283 PolarHBondContact O-N 2.78Å; L281-Q283 PolarHBondContact O-N 3.24Å; Q283-S285 PolarHBondContact O-N 3.16Å
284Q92.6Very high93.3Very high18 Ų1841.7 Ų41.78%0.08421%0.207CC..G310 helixtrans-77.98.3172.7-57.9-171.2-26.400113.4L281 A282 N286 N287 K289 L290 E306L281-Q284 VanDerWaalsContact O-CB 3.28Å; L281-Q284 WeakPolarHBondContact O-CB 3.35Å; L281-Q284 PolarHBondContact O-N 2.91Å; A282-Q284 PolarHBondContact O-N 3.38Å; Q284-N286 VanDerWaalsContact C-N 3.33Å; Q284-N286 PolarHBondContact O-N 3.09Å; Q284-N287 PolarHBondContact O-OD1 3.17Å; Q284-K289 HydrophobicContact CB-CB 4.27Å; Q284-L290 HydrophobicContact CB-CB 4.02Å; Q284-L290 PolarHBondContact O-N 3.12Å; Q284-E306 PolarHBondContact NE2-OE1 2.85Å
285S85.4Confident93.5Very high14 Ų1442 Ų4210%0.09821%0.21CC..G310 helixtrans-56.9-43.4172.5166.50000112.4P185 T186 A282 Q283 N287P185-S285 WeakPolarHBondContact CA-OG 3.44Å; P185-S285 VanDerWaalsContact CB-OG 3.29Å; P185-S285 WeakPolarHBondContact CB-OG 3.28Å; T186-S285 PolarHBondContact N-OG 3.36Å; A282-S285 VanDerWaalsContact O-CB 3.28Å; A282-S285 WeakPolarHBondContact O-CB 3.24Å; A282-S285 PolarHBondContact O-N 2.87Å; A282-S285 VanDerWaalsContact O-N 3.1Å; Q283-S285 PolarHBondContact O-N 3.16Å; S285-N287 VanDerWaalsContact C-N 3.29Å; S285-N287 PolarHBondContact O-N 2.89Å
286N76.9Confident93.5Very high120 Ų12047 Ų4764%0.64223%0.234SC*.G310 helixtrans-72.3-16.2-169.7-66.4-35.4000114.7Q284Q284-N286 VanDerWaalsContact C-N 3.33Å; Q284-N286 PolarHBondContact O-N 3.09Å
287N80.2Confident93.5Very high97 Ų9746.3 Ų46.352%0.51923%0.232SC..G310 helixtrans-117.715-174.467.8-1.1000113.8Q284 S285 K289Q284-N287 PolarHBondContact O-OD1 3.17Å; S285-N287 VanDerWaalsContact C-N 3.29Å; S285-N287 PolarHBondContact O-N 2.89Å; N287-K289 PolarHBondContact O-N 2.94Å; N287-K289 WeakPolarHBondContact OD1-CB 3.47Å; N287-K289 PolarHBondContact OD1-N 2.91Å; N287-K289 VanDerWaalsContact OD1-N 3.11Å
288K86.4Confident93.5Very high153 Ų15347 Ų4767%0.66524%0.236SC*.SBendtrans59.1-0.7-175.8-55.5-177.6179.1-1790115.2L290 L291 Q292K288-L290 PolarHBondContact O-N 3.3Å; K288-L291 PolarHBondContact O-N 3.31Å; K288-L291 VanDerWaalsContact O-N 3.15Å; K288-Q292 PolarHBondContact O-N 3.36Å
289K93.6Very high93.3Very high72 Ų7247.2 Ų47.231%0.31324%0.237SC..Hα-helixtrans-64.4-31.4179.8-172.5175.6174.4-172.30110.9Q284 N287 Q292 R293 E306Q284-K289 HydrophobicContact CB-CB 4.27Å; N287-K289 PolarHBondContact O-N 2.94Å; N287-K289 WeakPolarHBondContact OD1-CB 3.47Å; N287-K289 PolarHBondContact OD1-N 2.91Å; N287-K289 VanDerWaalsContact OD1-N 3.11Å; K289-Q292 WeakPolarHBondContact O-CB 3.38Å; K289-Q292 PolarHBondContact O-N 2.94Å; K289-R293 WeakPolarHBondContact O-CG 3.03Å; K289-R293 PolarHBondContact O-N 2.86Å; K289-E306 WeakPolarHBondContact CE-OE1 3.48Å; K289-E306 IonicContact NZ-OE1 3.05Å; K289-E306 PolarHBondContact NZ-OE1 3.09Å
290L95.9Very high93.1Very high0 Ų047.2 Ų47.20%024%0.236CC..Hα-helixtrans-62.5-47173.2-170.755000111.9T186 L188 S232 L281 Q284 K288 Q292 R293T186-L290 HydrophobicContact CG2-CD2 3.94Å; T186-L290 HydrophobicContact CG2-CG 4.27Å; L188-L290 HydrophobicContact CB-CD2 4.36Å; L188-L290 HydrophobicContact CD1-CD1 3.93Å; L188-L290 HydrophobicContact CD1-CD2 4.37Å; L188-L290 HydrophobicContact CD1-CG 4.47Å; L188-L290 HydrophobicContact CD2-CD1 4.46Å; S232-L290 PolarHBondContact OG-O 3.1Å; L281-L290 HydrophobicContact CB-CD1 4.18Å; L281-L290 HydrophobicContact CD2-CD1 4.4Å; Q284-L290 HydrophobicContact CB-CB 4.02Å; Q284-L290 PolarHBondContact O-N 3.12Å; K288-L290 PolarHBondContact O-N 3.3Å; L290-Q292 VanDerWaalsContact C-N 3.26Å; L290-Q292 PolarHBondContact O-N 2.84Å; L290-R293 WeakPolarHBondContact O-CB 3.38Å; L290-R293 PolarHBondContact O-N 3.31Å
291L97Very high92.9Very high61 Ų6146.5 Ų46.532%0.31923%0.232SC..Hα-helixtrans-61.6-33.1177.3-68172.4000112.7T186 K288 R293 S294T186-L291 HydrophobicContact CG2-CD2 3.61Å; T186-L291 HydrophobicContact CG2-CG 3.96Å; K288-L291 PolarHBondContact O-N 3.31Å; K288-L291 VanDerWaalsContact O-N 3.15Å; L291-R293 PolarHBondContact O-N 2.9Å; L291-S294 VanDerWaalsContact O-CB 3.25Å; L291-S294 WeakPolarHBondContact O-CB 3.41Å; L291-S294 PolarHBondContact O-N 2.65Å
292Q96.1Very high92.7Very high139 Ų13947 Ų4765%0.6524%0.235SC*.Hα-helixtrans-66.4-21.6174.9-67.5171.1-6.200113.2K288 K289 L290K288-Q292 PolarHBondContact O-N 3.36Å; K289-Q292 WeakPolarHBondContact O-CB 3.38Å; K289-Q292 PolarHBondContact O-N 2.94Å; L290-Q292 VanDerWaalsContact C-N 3.26Å; L290-Q292 PolarHBondContact O-N 2.84Å
293R97Very high92.6Very high32 Ų3247.1 Ų47.112%0.12124%0.235CC..THydrogen-bonded Turntrans-85.3-12.7176.1-65.3174.6175.6-72.9-2.6113V234 K289 L290 L291 G295 H296 L298 E306V234-R293 HydrophobicContact CG1-CB 4.12Å; V234-R293 WeakPolarHBondContact CG1-O 3.23Å; K289-R293 WeakPolarHBondContact O-CG 3.03Å; K289-R293 PolarHBondContact O-N 2.86Å; L290-R293 WeakPolarHBondContact O-CB 3.38Å; L290-R293 PolarHBondContact O-N 3.31Å; L291-R293 PolarHBondContact O-N 2.9Å; R293-G295 PolarHBondContact O-N 3.3Å; R293-H296 WeakPolarHBondContact O-CB 3.33Å; R293-H296 PolarHBondContact O-CD2 2.72Å; R293-H296 PolarHBondContact O-N 3.34Å; R293-L298 HydrophobicContact CB-CD1 4.28Å; R293-E306 IonicContact CZ-OE1 3.96Å; R293-E306 IonicContact CZ-OE2 3.42Å; R293-E306 IonicContact NH1-OE2 2.74Å; R293-E306 IonicContact NH2-OE1 3.91Å; R293-E306 PolarHBondContact NH2-OE1 3.39Å; R293-E306 IonicContact NH2-OE2 3.25Å; R293-E306 PolarHBondContact NH2-OE2 3.18Å
294S98.2Very high92.5Very high23 Ų2343.9 Ų43.916%0.16122%0.22CC..THydrogen-bonded Turntrans-57.7131.1-175.8-161.20000111.1A221 V233 L291 H296A221-S294 VanDerWaalsContact CB-OG 3.27Å; A221-S294 WeakPolarHBondContact CB-OG 3.14Å; V233-S294 PolarHBondContact N-OG 2.82Å; V233-S294 CarbonylContact O-C 3.56Å; V233-S294 WeakPolarHBondContact O-CA 3.36Å; L291-S294 VanDerWaalsContact O-CB 3.25Å; L291-S294 WeakPolarHBondContact O-CB 3.41Å; L291-S294 PolarHBondContact O-N 2.65Å; S294-H296 VanDerWaalsContact C-N 3.34Å
295G98.1Very high92.4Very high8 Ų846.5 Ų46.58%0.08223%0.232CC..THydrogen-bonded Turntrans86.6-6.4-17700000114.8Q218 A221 V233 R293Q218-G295 WeakPolarHBondContact CG-O 3.46Å; A221-G295 VanDerWaalsContact CB-CA 3.43Å; A221-G295 VanDerWaalsContact CB-N 3.27Å; V233-G295 PolarHBondContact O-N 3.25Å; R293-G295 PolarHBondContact O-N 3.3Å
296H96.8Very high92.7Very high107 Ų10749.8 Ų49.850%0.49525%0.246SC..  trans-90.5150.1-178.8-66.3-69.9000113.3S235 R293 S294 L298S235-H296 PolarHBondContact N-O 3.36Å; S235-H296 VanDerWaalsContact N-O 3.11Å; R293-H296 WeakPolarHBondContact O-CB 3.33Å; R293-H296 PolarHBondContact O-CD2 2.72Å; R293-H296 PolarHBondContact O-N 3.34Å; S294-H296 VanDerWaalsContact C-N 3.34Å; H296-L298 HydrophobicContact CB-CD2 3.96Å
297C95.3Very high93.5Very high34 Ų3446.2 Ų46.223%0.2323%0.225CC..EExtended strand (participates in β ladder)trans-85.8113.5165.1-660000109.2S235 I237S235-C297 CarbonylContact O-C 3.47Å; S235-C297 WeakPolarHBondContact O-CA 3.12Å; I237-C297 HydrophobicContact CD1-CB 4.19Å
298L95.7Very high94Very high14 Ų1444 Ų447%0.07322%0.224CC..EExtended strand (participates in β ladder)trans-103.9128.5-177.1-51.5-179.2000110V234 S235 I236 I237 L281 R293 H296 L303V234-L298 HydrophobicContact CB-CD1 4.05Å; V234-L298 HydrophobicContact CB-CG 4.45Å; V234-L298 HydrophobicContact CG1-CD1 3.99Å; V234-L298 HydrophobicContact CG2-CD1 4.35Å; S235-L298 PolarHBondContact O-N 2.88Å; I236-L298 CarbonylContact C-O 3.58Å; I236-L298 WeakPolarHBondContact CA-O 3.46Å; I237-L298 PolarHBondContact N-O 3.49Å; L281-L298 HydrophobicContact CD1-CD1 4.22Å; L281-L298 HydrophobicContact CD2-CD1 4.14Å; R293-L298 HydrophobicContact CB-CD1 4.28Å; H296-L298 HydrophobicContact CB-CD2 3.96Å; L298-L303 HydrophobicContact CB-CD1 3.84Å; L298-L303 HydrophobicContact CB-CG 4.37Å; L298-L303 HydrophobicContact CD1-CD1 4.17Å
299F93.9Very high94.2Very high6 Ų637.9 Ų37.93%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-85.4119.8179.4-72-119.7000108.2F195 I198 I237 P301 D302 L303 Y347 I350F195-F299 HydrophobicContact CE1-CD1 4.31Å; F195-F299 AromaticContact CE1-CE1 3.52Å; F195-F299 HydrophobicContact CE1-CE1 3.52Å; F195-F299 HydrophobicContact CE1-CZ 4.37Å; F195-F299 HydrophobicContact CE2-CD1 4.36Å; F195-F299 HydrophobicContact CE2-CE1 4.28Å; F195-F299 AromaticContact CZ-CD1 3.66Å; F195-F299 HydrophobicContact CZ-CD1 3.66Å; F195-F299 AromaticContact CZ-CE1 3.34Å; F195-F299 HydrophobicContact CZ-CE1 3.34Å; F195-F299 HydrophobicContact CZ-CZ 4.48Å; I198-F299 HydrophobicContact CD1-CE2 4.37Å; I198-F299 HydrophobicContact CD1-CZ 3.74Å; I237-F299 HydrophobicContact CD1-CD2 4.3Å; I237-F299 HydrophobicContact CD1-CE1 4.35Å; I237-F299 HydrophobicContact CD1-CE2 3.84Å; I237-F299 HydrophobicContact CD1-CZ 3.87Å; F299-P301 VanDerWaalsContact C-N 3.35Å; F299-D302 HydrophobicContact CB-CB 4.18Å; F299-D302 WeakPolarHBondContact CB-OD2 3.33Å; F299-D302 WeakPolarHBondContact O-CB 3.32Å; F299-D302 PolarHBondContact O-N 3.26Å; F299-L303 PolarHBondContact O-N 3.35Å; F299-L303 VanDerWaalsContact O-N 3.12Å; F299-Y347 AromaticContact CD2-CE1 3.72Å; F299-Y347 HydrophobicContact CD2-CE1 3.72Å; F299-Y347 HydrophobicContact CE2-CD1 4.32Å; F299-Y347 AromaticContact CE2-CE1 3.85Å; F299-Y347 HydrophobicContact CE2-CE1 3.85Å; F299-I350 HydrophobicContact CE1-CD1 4.49Å; F299-I350 HydrophobicContact CZ-CD1 4.03Å
300A94.2Very high93.7Very high0 Ų040.2 Ų40.20%021%0.209CC..Hα-helixtrans-56.3-41.2-178.500000113.4I236 I237 L274 D302 L303 T304I236-A300 HydrophobicContact CG2-CB 4.05Å; I237-A300 PolarHBondContact O-N 2.98Å; L274-A300 HydrophobicContact CD2-CB 3.4Å; L274-A300 VanDerWaalsContact CD2-CB 3.4Å; A300-D302 PolarHBondContact O-N 2.73Å; A300-L303 PolarHBondContact O-N 3.2Å; A300-L303 VanDerWaalsContact O-N 3.09Å; A300-T304 WeakPolarHBondContact O-CG2 3.33Å; A300-T304 PolarHBondContact O-N 2.96Å; A300-T304 PolarHBondContact O-OG1 3.19Å
301P90.9Very high92.7Very high7 Ų741.9 Ų41.95%0.04522%0.22CC..Hα-helixtrans-58.3-32.9174-23.731.4000114.2I269 F299 T304 E305 T318 N319I269-P301 HydrophobicContact CD1-CG 3.94Å; F299-P301 VanDerWaalsContact C-N 3.35Å; P301-T304 VanDerWaalsContact C-OG1 3.31Å; P301-T304 WeakPolarHBondContact CA-OG1 3.14Å; P301-T304 PolarHBondContact O-OG1 2.96Å; P301-E305 PolarHBondContact O-N 3.15Å; P301-T318 WeakPolarHBondContact CB-O 3.31Å; P301-T318 WeakPolarHBondContact CG-O 3.29Å; P301-N319 HydrophobicContact CB-CB 3.85Å
302D92.4Very high91.5Very high12 Ų1248.4 Ų48.46%0.06425%0.247CC..Hα-helixtrans-71.2-40.5175.7-71.3-41000111.7F299 A300 E305 E306 N319 R321 K344 Y347F299-D302 HydrophobicContact CB-CB 4.18Å; F299-D302 WeakPolarHBondContact CB-OD2 3.33Å; F299-D302 WeakPolarHBondContact O-CB 3.32Å; F299-D302 PolarHBondContact O-N 3.26Å; A300-D302 PolarHBondContact O-N 2.73Å; D302-E305 PolarHBondContact O-N 3.17Å; D302-E306 WeakPolarHBondContact O-CB 3.35Å; D302-E306 PolarHBondContact O-N 2.92Å; D302-N319 PolarHBondContact OD1-ND2 3.18Å; D302-R321 IonicContact OD1-CZ 2.7Å; D302-R321 IonicContact OD1-NE 2.64Å; D302-R321 IonicContact OD1-NH2 3.29Å; D302-R321 PolarHBondContact OD1-NH2 3Å; D302-R321 IonicContact OD2-CZ 3.92Å; D302-R321 VanDerWaalsContact OD2-CZ 3.25Å; D302-R321 IonicContact OD2-NE 3.68Å; D302-R321 PolarHBondContact OD2-NE 3.03Å; D302-R321 IonicContact OD2-NH2 3.93Å; D302-R321 PolarHBondContact OD2-NH2 3.17Å; D302-K344 IonicContact OD1-NZ 3.92Å; D302-K344 PolarHBondContact OD1-NZ 3.38Å; D302-Y347 PolarHBondContact OD2-OH 2.86Å
303L94Very high90.4Very high4 Ų447.6 Ų47.62%0.02125%0.247CC..Hα-helixtrans-67.7-37177.1-63.9178.5000111.9V277 L281 L298 F299 A300 E305 E306 F307V277-L303 HydrophobicContact CG1-CB 3.65Å; V277-L303 HydrophobicContact CG1-CD1 3.43Å; V277-L303 VanDerWaalsContact CG1-CD1 3.43Å; V277-L303 HydrophobicContact CG1-CG 4.21Å; V277-L303 HydrophobicContact CG2-CB 4.39Å; L281-L303 HydrophobicContact CD1-CD1 3.89Å; L281-L303 HydrophobicContact CD2-CD1 4.43Å; L281-L303 HydrophobicContact CD2-CD2 4.31Å; L281-L303 HydrophobicContact CG-CD1 4.37Å; L298-L303 HydrophobicContact CB-CD1 3.84Å; L298-L303 HydrophobicContact CB-CG 4.37Å; L298-L303 HydrophobicContact CD1-CD1 4.17Å; F299-L303 PolarHBondContact O-N 3.35Å; F299-L303 VanDerWaalsContact O-N 3.12Å; A300-L303 PolarHBondContact O-N 3.2Å; A300-L303 VanDerWaalsContact O-N 3.09Å; L303-E305 VanDerWaalsContact C-N 3.29Å; L303-E305 PolarHBondContact O-N 3.48Å; L303-E306 PolarHBondContact O-N 3.01Å; L303-F307 HydrophobicContact CB-CD2 4.21Å; L303-F307 HydrophobicContact CB-CE2 3.91Å; L303-F307 HydrophobicContact CD2-CE2 4.24Å; L303-F307 HydrophobicContact CD2-CZ 4.17Å; L303-F307 WeakPolarHBondContact O-CB 3.37Å; L303-F307 WeakPolarHBondContact O-CD2 3.27Å; L303-F307 WeakPolarHBondContact O-CG 3.46Å; L303-F307 PolarHBondContact O-N 2.98Å
304T92.5Very high89.2Confident1 Ų147.9 Ų47.91%0.00626%0.26CS..Hα-helixtrans-61.4-40.7174.651.90000111.4I273 V277 A300 P301 G308 I309 F317I273-T304 HydrophobicContact CG2-CG2 3.59Å; V277-T304 HydrophobicContact CG2-CG2 3.56Å; A300-T304 WeakPolarHBondContact O-CG2 3.33Å; A300-T304 PolarHBondContact O-N 2.96Å; A300-T304 PolarHBondContact O-OG1 3.19Å; P301-T304 VanDerWaalsContact C-OG1 3.31Å; P301-T304 WeakPolarHBondContact CA-OG1 3.14Å; P301-T304 PolarHBondContact O-OG1 2.96Å; T304-G308 CarbonylContact O-C 3.57Å; T304-G308 PolarHBondContact O-N 3.32Å; T304-I309 HydrophobicContact CG2-CB 4.23Å; T304-I309 HydrophobicContact CG2-CG2 4.42Å; T304-I309 PolarHBondContact O-N 3.05Å; T304-F317 HydrophobicContact CG2-CD2 3.91Å; T304-F317 HydrophobicContact CG2-CE2 4.11Å
305E90.6Very high87.8Confident72 Ų7255.1 Ų55.134%0.33629%0.285SS..Hα-helixtrans-68.7-44.6175.8-173.9175.1177.600111.6P301 D302 L303 F307 G308 K344P301-E305 PolarHBondContact O-N 3.15Å; D302-E305 PolarHBondContact O-N 3.17Å; L303-E305 VanDerWaalsContact C-N 3.29Å; L303-E305 PolarHBondContact O-N 3.48Å; E305-F307 VanDerWaalsContact C-N 3.27Å; E305-F307 PolarHBondContact O-N 3.38Å; E305-G308 PolarHBondContact O-N 3.15Å; E305-K344 VanDerWaalsContact OE2-CE 3.24Å; E305-K344 WeakPolarHBondContact OE2-CE 3.31Å; E305-K344 IonicContact OE2-NZ 3.17Å; E305-K344 PolarHBondContact OE2-NZ 3.25Å
306E91.9Very high86.7Confident83 Ų8358.6 Ų58.639%0.38830%0.302SS..Hα-helixtrans-57.7-39.6176.4-176.5-176153.200112.3Q284 K289 R293 D302 L303Q284-E306 PolarHBondContact NE2-OE1 2.85Å; K289-E306 WeakPolarHBondContact CE-OE1 3.48Å; K289-E306 IonicContact NZ-OE1 3.05Å; K289-E306 PolarHBondContact NZ-OE1 3.09Å; R293-E306 IonicContact CZ-OE1 3.96Å; R293-E306 IonicContact CZ-OE2 3.42Å; R293-E306 IonicContact NH1-OE2 2.74Å; R293-E306 IonicContact NH2-OE1 3.91Å; R293-E306 PolarHBondContact NH2-OE1 3.39Å; R293-E306 IonicContact NH2-OE2 3.25Å; R293-E306 PolarHBondContact NH2-OE2 3.18Å; D302-E306 WeakPolarHBondContact O-CB 3.35Å; D302-E306 PolarHBondContact O-N 2.92Å; L303-E306 PolarHBondContact O-N 3.01Å
307F93.2Very high86Confident46 Ų4654.5 Ų54.520%0.20228%0.282CS..THydrogen-bonded Turntrans-90.8-0.6-178.2-57.2-31.6000113.8V277 C280 L281 L303 E305 I309V277-F307 HydrophobicContact CG1-CE2 4.32Å; C280-F307 HydrophobicContact CB-CB 4.23Å; C280-F307 HydrophobicContact CB-CD1 4.13Å; C280-F307 HydrophobicContact CB-CD2 3.28Å; C280-F307 HydrophobicContact CB-CE1 4.35Å; C280-F307 HydrophobicContact CB-CE2 3.52Å; C280-F307 HydrophobicContact CB-CG 3.62Å; C280-F307 HydrophobicContact CB-CZ 4.07Å; L281-F307 HydrophobicContact CD2-CE2 4.3Å; L281-F307 HydrophobicContact CD2-CZ 3.86Å; L281-F307 HydrophobicContact CG-CE2 4.05Å; L281-F307 HydrophobicContact CG-CZ 4.06Å; L303-F307 HydrophobicContact CB-CD2 4.21Å; L303-F307 HydrophobicContact CB-CE2 3.91Å; L303-F307 HydrophobicContact CD2-CE2 4.24Å; L303-F307 HydrophobicContact CD2-CZ 4.17Å; L303-F307 WeakPolarHBondContact O-CB 3.37Å; L303-F307 WeakPolarHBondContact O-CD2 3.27Å; L303-F307 WeakPolarHBondContact O-CG 3.46Å; L303-F307 PolarHBondContact O-N 2.98Å; E305-F307 VanDerWaalsContact C-N 3.27Å; E305-F307 PolarHBondContact O-N 3.38Å; F307-I309 VanDerWaalsContact C-N 3.25Å; F307-I309 HydrophobicContact CB-CD1 3.95Å; F307-I309 HydrophobicContact CB-CG1 3.96Å; F307-I309 HydrophobicContact CD2-CD1 4.27Å; F307-I309 PolarHBondContact O-N 3.5Å
308G91.1Very high85.1Confident50 Ų5054.2 Ų54.252%0.51528%0.28SS..THydrogen-bonded Turntrans65.526.1-17700000114T304 E305T304-G308 CarbonylContact O-C 3.57Å; T304-G308 PolarHBondContact O-N 3.32Å; E305-G308 PolarHBondContact O-N 3.15Å
309I90Very high84.4Confident25 Ų2554 Ų5413%0.12828%0.278CS..  trans-81.4116.2174.2-55.3166.9000108.1I273 D276 V277 T304 F307 F317I273-I309 HydrophobicContact CD1-CG2 3.9Å; I273-I309 HydrophobicContact CG2-CG2 3.93Å; D276-I309 HydrophobicContact CB-CD1 4.05Å; V277-I309 HydrophobicContact CG2-CD1 3.79Å; T304-I309 HydrophobicContact CG2-CB 4.23Å; T304-I309 HydrophobicContact CG2-CG2 4.42Å; T304-I309 PolarHBondContact O-N 3.05Å; F307-I309 VanDerWaalsContact C-N 3.25Å; F307-I309 HydrophobicContact CB-CD1 3.95Å; F307-I309 HydrophobicContact CB-CG1 3.96Å; F307-I309 HydrophobicContact CD2-CD1 4.27Å; F307-I309 PolarHBondContact O-N 3.5Å; I309-F317 HydrophobicContact CG2-CE2 4.42Å
310K83.2Confident83.8Confident121 Ų12154.6 Ų54.653%0.52628%0.282SS..  trans-115158.1-174.2-67.8176.4170-167.60111.3G314K310-G314 WeakPolarHBondContact CD-O 3.26Å
311S75.6Confident83.4Confident34 Ų3455.9 Ų55.924%0.23829%0.287CS..  trans-63.7164.5167.4-174.20000111.2D313 G314 Y315S311-D313 PolarHBondContact O-N 2.86Å; S311-D313 VanDerWaalsContact O-N 3.17Å; S311-G314 WeakPolarHBondContact O-CA 3.48Å; S311-G314 PolarHBondContact O-N 3.33Å; S311-Y315 WeakPolarHBondContact CB-O 3.26Å; S311-Y315 PolarHBondContact N-O 2.84Å
312F71.7Confident83.1Confident198 Ų19855.8 Ų55.887%0.86829%0.286SS*.THydrogen-bonded Turntrans-52.4-34.9173.1-69.2-76000112.6G314F312-G314 PolarHBondContact O-N 2.98Å
313D71.4Confident82.6Confident123 Ų12357.8 Ų57.866%0.65830%0.296SS*.THydrogen-bonded Turntrans-78.93.5178.1-56.1-26.5000113.4S311 Y315S311-D313 PolarHBondContact O-N 2.86Å; S311-D313 VanDerWaalsContact O-N 3.17Å; D313-Y315 HydrophobicContact CB-CD2 3.7Å; D313-Y315 HydrophobicContact CB-CE2 4.19Å; D313-Y315 VanDerWaalsContact O-CD2 3.3Å; D313-Y315 WeakPolarHBondContact O-CD2 3.47Å; D313-Y315 PolarHBondContact O-N 3.15Å
314G71.8Confident82.1Confident38 Ų3860.9 Ų60.939%0.39231%0.31SS..SBendtrans77.5-1.2-178.600000115.4K310 S311 F312K310-G314 WeakPolarHBondContact CD-O 3.26Å; S311-G314 WeakPolarHBondContact O-CA 3.48Å; S311-G314 PolarHBondContact O-N 3.33Å; F312-G314 PolarHBondContact O-N 2.98Å
315Y68.9Low81.5Confident175 Ų17560.9 Ų60.969%0.68631%0.309SS*.PPolyproline II helixtrans-86.7153.3178.2-64.3-75.2000113S311 D313S311-Y315 WeakPolarHBondContact CB-O 3.26Å; S311-Y315 PolarHBondContact N-O 2.84Å; D313-Y315 HydrophobicContact CB-CD2 3.7Å; D313-Y315 HydrophobicContact CB-CE2 4.19Å; D313-Y315 VanDerWaalsContact O-CD2 3.3Å; D313-Y315 WeakPolarHBondContact O-CD2 3.47Å; D313-Y315 PolarHBondContact O-N 3.15Å
316N76.2Confident80.9Confident81 Ų8160 Ų6043%0.43331%0.307SS..PPolyproline II helixtrans-66.9146.9169.4-69.6-12.1000110.4
317F80.7Confident80.4Confident20 Ų2057.1 Ų57.19%0.08829%0.294CS..PPolyproline II helixtrans-67.8156.6174.2-59.9-74.9000111.9I269 P270 I273 T304 I309 N319I269-F317 HydrophobicContact CB-CD1 4.24Å; I269-F317 HydrophobicContact CB-CG 4.5Å; I269-F317 HydrophobicContact CD1-CB 4.12Å; I269-F317 HydrophobicContact CD1-CG 4.43Å; I269-F317 HydrophobicContact CG1-CB 3.6Å; I269-F317 HydrophobicContact CG1-CD1 3.77Å; I269-F317 HydrophobicContact CG1-CD2 4.38Å; I269-F317 HydrophobicContact CG1-CG 3.65Å; I269-F317 HydrophobicContact CG2-CD1 4.27Å; I269-F317 HydrophobicContact CG2-CE1 4.3Å; I269-F317 HydrophobicContact CG2-CG 4.44Å; I269-F317 HydrophobicContact CG2-CZ 4.48Å; P270-F317 VanDerWaalsContact CD-CE1 3.44Å; P270-F317 HydrophobicContact CG-CE1 4.37Å; I273-F317 HydrophobicContact CD1-CZ 4.12Å; I273-F317 HydrophobicContact CG1-CE2 4.39Å; I273-F317 HydrophobicContact CG1-CZ 3.88Å; I273-F317 HydrophobicContact CG2-CE2 3.86Å; I273-F317 HydrophobicContact CG2-CZ 4.19Å; T304-F317 HydrophobicContact CG2-CD2 3.91Å; T304-F317 HydrophobicContact CG2-CE2 4.11Å; I309-F317 HydrophobicContact CG2-CE2 4.42Å; F317-N319 PolarHBondContact O-N 2.82Å
318T77.4Confident79.7Confident29 Ų2958 Ų5818%0.17830%0.299CS..PPolyproline II helixtrans-53.5128.6174-590000110.8M267 P301M267-T318 WeakPolarHBondContact CA-OG1 3.43Å; M267-T318 HydrophobicContact CB-CG2 4.48Å; M267-T318 WeakPolarHBondContact CB-OG1 3.34Å; M267-T318 HydrophobicContact CE-CG2 3.2Å; M267-T318 WeakPolarHBondContact CE-OG1 3.29Å; M267-T318 VanDerWaalsContact O-CB 3.28Å; M267-T318 WeakPolarHBondContact O-CB 3.23Å; M267-T318 PolarHBondContact O-OG1 3.3Å; M267-T318 HydrophobicContact SD-CG2 4.38Å; M267-T318 PolarHBondContact SD-OG1 3.48Å; P301-T318 WeakPolarHBondContact CB-O 3.31Å; P301-T318 WeakPolarHBondContact CG-O 3.29Å
319N81.7Confident78.9Confident8 Ų856.7 Ų56.74%0.04328%0.28CS..  trans-116.2111175-167.9-25.2000110P301 D302 F317 R321 S322 K344P301-N319 HydrophobicContact CB-CB 3.85Å; D302-N319 PolarHBondContact OD1-ND2 3.18Å; F317-N319 PolarHBondContact O-N 2.82Å; N319-R321 PolarHBondContact O-N 3.32Å; N319-R321 VanDerWaalsContact O-N 3.14Å; N319-R321 WeakPolarHBondContact OD1-CA 3.33Å; N319-R321 WeakPolarHBondContact OD1-CB 3.26Å; N319-R321 PolarHBondContact OD1-N 2.83Å; N319-S322 WeakPolarHBondContact O-CB 3.41Å; N319-S322 PolarHBondContact O-N 3.28Å; N319-S322 PolarHBondContact O-OG 3.12Å; N319-K344 PolarHBondContact ND2-NZ 3.43Å
320L79.7Confident78.2Confident19 Ų1958.2 Ų58.210%0.09929%0.288CS..THydrogen-bonded Turntrans-66.4-9.9176.6-70.3177.2000113.3F195 L258 F259 L326 L329F195-L320 HydrophobicContact CD2-CD1 3.85Å; F195-L320 HydrophobicContact CE1-CB 4Å; F195-L320 HydrophobicContact CE1-CD1 4.35Å; F195-L320 HydrophobicContact CE2-CB 4.03Å; F195-L320 HydrophobicContact CE2-CD1 3.53Å; F195-L320 HydrophobicContact CE2-CG 4.32Å; F195-L320 HydrophobicContact CG-CD1 4.41Å; F195-L320 HydrophobicContact CZ-CB 3.48Å; F195-L320 VanDerWaalsContact CZ-CB 3.48Å; F195-L320 HydrophobicContact CZ-CD1 3.82Å; F195-L320 HydrophobicContact CZ-CG 4.25Å; L258-L320 HydrophobicContact CD2-CD1 4.05Å; F259-L320 HydrophobicContact CE2-CD1 4.35Å; L320-L326 WeakPolarHBondContact O-CD2 3.31Å; L320-L326 VanDerWaalsContact O-CG 3.27Å; L320-L326 WeakPolarHBondContact O-CG 3.3Å; L320-L329 HydrophobicContact CD2-CB 4.22Å; L320-L329 HydrophobicContact CD2-CD2 3.78Å; L320-L329 HydrophobicContact CD2-CG 4.42Å
321R85.8Confident77.7Confident27 Ų2754.7 Ų54.710%0.10229%0.286CS..THydrogen-bonded Turntrans-82.9-21167.9-165.5164.96587-6.5112.6D302 N319 K344 I345 I350D302-R321 IonicContact OD1-CZ 2.7Å; D302-R321 IonicContact OD1-NE 2.64Å; D302-R321 IonicContact OD1-NH2 3.29Å; D302-R321 PolarHBondContact OD1-NH2 3Å; D302-R321 IonicContact OD2-CZ 3.92Å; D302-R321 VanDerWaalsContact OD2-CZ 3.25Å; D302-R321 IonicContact OD2-NE 3.68Å; D302-R321 PolarHBondContact OD2-NE 3.03Å; D302-R321 IonicContact OD2-NH2 3.93Å; D302-R321 PolarHBondContact OD2-NH2 3.17Å; N319-R321 PolarHBondContact O-N 3.32Å; N319-R321 VanDerWaalsContact O-N 3.14Å; N319-R321 WeakPolarHBondContact OD1-CA 3.33Å; N319-R321 WeakPolarHBondContact OD1-CB 3.26Å; N319-R321 PolarHBondContact OD1-N 2.83Å; R321-K344 HydrophobicContact CG-CB 4.19Å; R321-K344 VanDerWaalsContact CZ-CD 3.48Å; R321-K344 CarbonylContact O-C 3.6Å; R321-K344 WeakPolarHBondContact O-CA 3.41Å; R321-I345 WeakPolarHBondContact CD-O 3.36Å; R321-I345 HydrophobicContact CG-CB 4.07Å; R321-I345 WeakPolarHBondContact CG-O 3.45Å; R321-I345 PolarHBondContact NH1-O 3.18Å; R321-I345 PolarHBondContact O-N 2.99Å; R321-I350 HydrophobicContact CG-CD1 3.83Å
322S85Confident77.9Confident5 Ų560.2 Ų60.24%0.03530%0.301CS..BIsolated β-bridgetrans-77.3141.2175.373.50000110.9N319 K324 G325 L326 G341 I343N319-S322 WeakPolarHBondContact O-CB 3.41Å; N319-S322 PolarHBondContact O-N 3.28Å; N319-S322 PolarHBondContact O-OG 3.12Å; S322-K324 PolarHBondContact O-N 2.85Å; S322-G325 PolarHBondContact O-N 2.93Å; S322-G325 VanDerWaalsContact O-N 3.12Å; S322-G325 WeakPolarHBondContact OG-CA 3.48Å; S322-G325 PolarHBondContact OG-N 3.48Å; S322-L326 PolarHBondContact O-N 3.27Å; S322-G341 WeakPolarHBondContact CB-O 3.37Å; S322-I343 WeakPolarHBondContact CA-O 3.34Å
323I82.7Confident78.1Confident55 Ų5557.6 Ų57.628%0.28229%0.29SS..Hα-helixtrans-58.7-41.1175.2-61-178.6000109.6G325 L326 L327 F339 I343I323-G325 PolarHBondContact O-N 3.05Å; I323-L326 PolarHBondContact O-N 3.49Å; I323-L327 HydrophobicContact CG2-CD1 3.88Å; I323-L327 HydrophobicContact CG2-CG 4.29Å; I323-L327 WeakPolarHBondContact O-CB 3.39Å; I323-L327 VanDerWaalsContact O-CG 3.29Å; I323-L327 WeakPolarHBondContact O-CG 3.5Å; I323-L327 PolarHBondContact O-N 3.17Å; I323-F339 HydrophobicContact CB-CD1 4.13Å; I323-F339 HydrophobicContact CB-CG 4.41Å; I323-F339 HydrophobicContact CD1-CD1 4.28Å; I323-F339 HydrophobicContact CD1-CE1 4.37Å; I323-F339 HydrophobicContact CG2-CB 4.28Å; I323-F339 HydrophobicContact CG2-CD1 3.6Å; I323-F339 HydrophobicContact CG2-CD2 4.24Å; I323-F339 HydrophobicContact CG2-CE1 3.93Å; I323-F339 HydrophobicContact CG2-CG 3.76Å; I323-F339 HydrophobicContact CG2-CZ 4.38Å; I323-I343 HydrophobicContact CD1-CG2 3.53Å; I323-I343 HydrophobicContact CG1-CG2 4.08Å; I323-I343 PolarHBondContact N-O 3.45Å; I323-I343 VanDerWaalsContact N-O 3.08Å
324K82.2Confident78.5Confident69 Ų6959.6 Ų59.630%0.330%0.295SS..Hα-helixtrans-54.1-50.3173.4-179.5171.3-169.5167.50112.4S322 L327 Q328 A336 F339S322-K324 PolarHBondContact O-N 2.85Å; K324-L327 PolarHBondContact O-N 3.47Å; K324-Q328 VanDerWaalsContact O-CG 3.31Å; K324-Q328 WeakPolarHBondContact O-CG 3.15Å; K324-Q328 PolarHBondContact O-N 3.41Å; K324-A336 HydrophobicContact CG-CB 4.36Å; K324-A336 WeakPolarHBondContact CG-O 3.29Å; K324-F339 HydrophobicContact CB-CB 4.43Å; K324-F339 WeakPolarHBondContact CD-O 3.19Å
325G80Confident78.9Confident0 Ų061.4 Ų61.40%030%0.295CS..Hα-helixtrans-64.1-39.7-17900000113S322 I323 Q328 L329S322-G325 PolarHBondContact O-N 2.93Å; S322-G325 VanDerWaalsContact O-N 3.12Å; S322-G325 WeakPolarHBondContact OG-CA 3.48Å; S322-G325 PolarHBondContact OG-N 3.48Å; I323-G325 PolarHBondContact O-N 3.05Å; G325-Q328 PolarHBondContact O-N 2.89Å; G325-L329 WeakPolarHBondContact O-CB 3.45Å; G325-L329 PolarHBondContact O-N 3.31Å
326L79.1Confident79.3Confident54 Ų5453 Ų5328%0.28326%0.262SS..Hα-helixtrans-63.4-45.5173.6-72.2171000112.1L320 S322 I323 Q328 L329 I330 I345L320-L326 WeakPolarHBondContact O-CD2 3.31Å; L320-L326 VanDerWaalsContact O-CG 3.27Å; L320-L326 WeakPolarHBondContact O-CG 3.3Å; S322-L326 PolarHBondContact O-N 3.27Å; I323-L326 PolarHBondContact O-N 3.49Å; L326-Q328 VanDerWaalsContact C-N 3.32Å; L326-Q328 PolarHBondContact O-N 3.48Å; L326-L329 WeakPolarHBondContact O-CB 3.36Å; L326-L329 PolarHBondContact O-N 2.97Å; L326-I330 WeakPolarHBondContact O-CG1 3.3Å; L326-I330 PolarHBondContact O-N 3.48Å; L326-I345 HydrophobicContact CD1-CD1 3.47Å; L326-I345 VanDerWaalsContact CD1-CD1 3.47Å; L326-I345 HydrophobicContact CD1-CG1 4.47Å
327L80.4Confident79.5Confident22 Ų2255.2 Ų55.212%0.11527%0.272CS..Hα-helixtrans-63.4-38.2177.3-70.3171.5000112.1I323 K324 I330 G331 W332 L335 A336 F339I323-L327 HydrophobicContact CG2-CD1 3.88Å; I323-L327 HydrophobicContact CG2-CG 4.29Å; I323-L327 WeakPolarHBondContact O-CB 3.39Å; I323-L327 VanDerWaalsContact O-CG 3.29Å; I323-L327 WeakPolarHBondContact O-CG 3.5Å; I323-L327 PolarHBondContact O-N 3.17Å; K324-L327 PolarHBondContact O-N 3.47Å; L327-I330 PolarHBondContact O-N 3.32Å; L327-G331 PolarHBondContact O-N 2.8Å; L327-W332 HydrophobicContact CD2-CB 4.25Å; L327-W332 HydrophobicContact CD2-CD2 4.49Å; L327-W332 HydrophobicContact CD2-CE3 3.72Å; L327-W332 HydrophobicContact CD2-CZ3 4.5Å; L327-W332 PolarHBondContact O-N 3.13Å; L327-L335 HydrophobicContact CD1-CB 4.41Å; L327-A336 HydrophobicContact CB-CB 3.62Å; L327-A336 HydrophobicContact CD1-CB 4.48Å; L327-F339 HydrophobicContact CD1-CB 4.47Å; L327-F339 HydrophobicContact CD1-CD2 3.35Å; L327-F339 HydrophobicContact CD1-CE2 3.77Å; L327-F339 HydrophobicContact CD1-CG 4.06Å
328Q78.5Confident79.7Confident64 Ų6460.5 Ų60.530%0.29930%0.301SS..Hα-helixtrans-65.6-39.6175-72.5173.9-31.700112.1M267 K324 G325 L326 G331 A336M267-Q328 HydrophobicContact CE-CB 3.35Å; M267-Q328 HydrophobicContact CE-CG 4.17Å; M267-Q328 HydrophobicContact SD-CB 4.2Å; K324-Q328 VanDerWaalsContact O-CG 3.31Å; K324-Q328 WeakPolarHBondContact O-CG 3.15Å; K324-Q328 PolarHBondContact O-N 3.41Å; G325-Q328 PolarHBondContact O-N 2.89Å; L326-Q328 VanDerWaalsContact C-N 3.32Å; L326-Q328 PolarHBondContact O-N 3.48Å; Q328-G331 PolarHBondContact O-N 2.71Å; Q328-A336 HydrophobicContact CG-CB 3.63Å
329L74.7Confident79.9Confident24 Ų2462.7 Ų62.713%0.12631%0.308CS..Hα-helixtrans-63.6-43175.6177.173.8000111.8L258 F259 Y261 L320 G325 L326 G331L258-L329 HydrophobicContact CB-CD1 4.38Å; L258-L329 HydrophobicContact CD2-CD1 4.38Å; F259-L329 HydrophobicContact CB-CD2 4.46Å; F259-L329 HydrophobicContact CD2-CD2 3.45Å; F259-L329 VanDerWaalsContact CD2-CD2 3.45Å; F259-L329 HydrophobicContact CE2-CD2 4.11Å; F259-L329 HydrophobicContact CG-CD2 4.32Å; Y261-L329 VanDerWaalsContact CB-O 3.29Å; Y261-L329 WeakPolarHBondContact CB-O 3.43Å; L320-L329 HydrophobicContact CD2-CB 4.22Å; L320-L329 HydrophobicContact CD2-CD2 3.78Å; L320-L329 HydrophobicContact CD2-CG 4.42Å; G325-L329 WeakPolarHBondContact O-CB 3.45Å; G325-L329 PolarHBondContact O-N 3.31Å; L326-L329 WeakPolarHBondContact O-CB 3.36Å; L326-L329 PolarHBondContact O-N 2.97Å; L329-G331 PolarHBondContact O-N 3.43Å; L329-G331 VanDerWaalsContact O-N 3.17Å
330I76.3Confident79.8Confident56 Ų5664.6 Ų64.629%0.28732%0.321SS..THydrogen-bonded Turntrans-70.9-5.9178.4-64.7164.1000112Y261 L326 L327 W332Y261-I330 HydrophobicContact CD2-CG1 4.32Å; Y261-I330 HydrophobicContact CE1-CB 4.36Å; Y261-I330 HydrophobicContact CE1-CG2 3.94Å; Y261-I330 HydrophobicContact CE2-CB 4.41Å; Y261-I330 HydrophobicContact CE2-CG1 3.88Å; Y261-I330 HydrophobicContact CE2-CG2 4.44Å; L326-I330 WeakPolarHBondContact O-CG1 3.3Å; L326-I330 PolarHBondContact O-N 3.48Å; L327-I330 PolarHBondContact O-N 3.32Å; I330-W332 VanDerWaalsContact C-N 3.34Å; I330-W332 HydrophobicContact CG2-CD2 4.27Å; I330-W332 HydrophobicContact CG2-CG 4.14Å
331G72.8Confident79.7Confident47 Ų4765.3 Ų65.349%0.48533%0.333SS..THydrogen-bonded Turntrans85.22.7-179.500000114.3L327 Q328 L329 K333L327-G331 PolarHBondContact O-N 2.8Å; Q328-G331 PolarHBondContact O-N 2.71Å; L329-G331 PolarHBondContact O-N 3.43Å; L329-G331 VanDerWaalsContact O-N 3.17Å; G331-K333 PolarHBondContact O-N 3.2Å
332W79.5Confident79.5Confident150 Ų15071.2 Ų71.257%0.56836%0.36SS*.  trans-81.455.4178.7-69.711.3000111.7L327 I330 H334 L335 A336L327-W332 HydrophobicContact CD2-CB 4.25Å; L327-W332 HydrophobicContact CD2-CD2 4.49Å; L327-W332 HydrophobicContact CD2-CE3 3.72Å; L327-W332 HydrophobicContact CD2-CZ3 4.5Å; L327-W332 PolarHBondContact O-N 3.13Å; I330-W332 VanDerWaalsContact C-N 3.34Å; I330-W332 HydrophobicContact CG2-CD2 4.27Å; I330-W332 HydrophobicContact CG2-CG 4.14Å; W332-H334 VanDerWaalsContact C-N 3.29Å; W332-H334 PolarHBondContact O-N 3.39Å; W332-L335 HydrophobicContact CB-CB 4.3Å; W332-L335 HydrophobicContact CB-CD1 4.27Å; W332-L335 HydrophobicContact CD2-CD1 3.91Å; W332-L335 HydrophobicContact CE3-CD1 3.36Å; W332-L335 HydrophobicContact CG-CD1 4.32Å; W332-L335 HydrophobicContact CZ3-CD1 3.97Å; W332-L335 PolarHBondContact O-N 2.65Å; W332-A336 PolarHBondContact O-N 3.31Å
333K75.9Confident79.6Confident144 Ų14474.1 Ų74.163%0.62637%0.374SS*.Hα-helixtrans-57.4-37.6-172.1-63.9176.7-175.11720113.2G331 A336 I337G331-K333 PolarHBondContact O-N 3.2Å; K333-A336 PolarHBondContact O-N 2.67Å; K333-I337 WeakPolarHBondContact O-CG1 3.29Å; K333-I337 PolarHBondContact O-N 3.5Å
334H79.7Confident79.8Confident165 Ų16573.6 Ų73.676%0.76437%0.37SS*.Hα-helixtrans-67.7-45.1178.6-63.6-70.1000112.3W332 A336 I337W332-H334 VanDerWaalsContact C-N 3.29Å; W332-H334 PolarHBondContact O-N 3.39Å; H334-A336 VanDerWaalsContact C-N 3.32Å; H334-A336 PolarHBondContact O-N 2.83Å; H334-I337 PolarHBondContact O-N 3.23Å
335L79.4Confident80Confident75 Ų7572.6 Ų72.639%0.39337%0.367SS..Hα-helixtrans-65.8-37.3174.9-74.4164.4000111.1L327 W332 I337 L338 F339L327-L335 HydrophobicContact CD1-CB 4.41Å; W332-L335 HydrophobicContact CB-CB 4.3Å; W332-L335 HydrophobicContact CB-CD1 4.27Å; W332-L335 HydrophobicContact CD2-CD1 3.91Å; W332-L335 HydrophobicContact CE3-CD1 3.36Å; W332-L335 HydrophobicContact CG-CD1 4.32Å; W332-L335 HydrophobicContact CZ3-CD1 3.97Å; W332-L335 PolarHBondContact O-N 2.65Å; L335-I337 PolarHBondContact O-N 3.41Å; L335-L338 HydrophobicContact CD2-CD1 4.18Å; L335-L338 WeakPolarHBondContact O-CB 3.45Å; L335-L338 PolarHBondContact O-N 2.9Å; L335-F339 WeakPolarHBondContact O-CD2 2.95Å
336A77.4Confident80.3Confident0 Ų075.1 Ų75.10%038%0.384CS..Hα-helixtrans-60.6-26.9178.300000113.7K324 L327 Q328 W332 K333 H334 L338 F339K324-A336 HydrophobicContact CG-CB 4.36Å; K324-A336 WeakPolarHBondContact CG-O 3.29Å; L327-A336 HydrophobicContact CB-CB 3.62Å; L327-A336 HydrophobicContact CD1-CB 4.48Å; Q328-A336 HydrophobicContact CG-CB 3.63Å; W332-A336 PolarHBondContact O-N 3.31Å; K333-A336 PolarHBondContact O-N 2.67Å; H334-A336 VanDerWaalsContact C-N 3.32Å; H334-A336 PolarHBondContact O-N 2.83Å; A336-L338 VanDerWaalsContact C-N 3.27Å; A336-L338 PolarHBondContact O-N 3.26Å; A336-F339 PolarHBondContact O-N 2.99Å
337I81.6Confident80.7Confident126 Ų12677.7 Ų77.765%0.64639%0.39SS*.Hα-helixtrans-66.4-32.3175.8-67.8164.6000111.1K333 H334 L335 F339K333-I337 WeakPolarHBondContact O-CG1 3.29Å; K333-I337 PolarHBondContact O-N 3.5Å; H334-I337 PolarHBondContact O-N 3.23Å; L335-I337 PolarHBondContact O-N 3.41Å; I337-F339 VanDerWaalsContact C-N 3.28Å; I337-F339 PolarHBondContact O-N 3.36Å
338L83.5Confident81Confident131 Ų13184.4 Ų84.469%0.68641%0.414SS*.Hα-helixtrans-71.9-22.5-179.5-58176000113L335 A336L335-L338 HydrophobicContact CD2-CD1 4.18Å; L335-L338 WeakPolarHBondContact O-CB 3.45Å; L335-L338 PolarHBondContact O-N 2.9Å; A336-L338 VanDerWaalsContact C-N 3.27Å; A336-L338 PolarHBondContact O-N 3.26Å
339F80.9Confident81.3Confident76 Ų7684.4 Ų84.433%0.33342%0.416SS..SBendtrans-97.3122.7179.8-72.4-91.1000110.7I323 K324 L327 L335 A336 I337I323-F339 HydrophobicContact CB-CD1 4.13Å; I323-F339 HydrophobicContact CB-CG 4.41Å; I323-F339 HydrophobicContact CD1-CD1 4.28Å; I323-F339 HydrophobicContact CD1-CE1 4.37Å; I323-F339 HydrophobicContact CG2-CB 4.28Å; I323-F339 HydrophobicContact CG2-CD1 3.6Å; I323-F339 HydrophobicContact CG2-CD2 4.24Å; I323-F339 HydrophobicContact CG2-CE1 3.93Å; I323-F339 HydrophobicContact CG2-CG 3.76Å; I323-F339 HydrophobicContact CG2-CZ 4.38Å; K324-F339 HydrophobicContact CB-CB 4.43Å; K324-F339 WeakPolarHBondContact CD-O 3.19Å; L327-F339 HydrophobicContact CD1-CB 4.47Å; L327-F339 HydrophobicContact CD1-CD2 3.35Å; L327-F339 HydrophobicContact CD1-CE2 3.77Å; L327-F339 HydrophobicContact CD1-CG 4.06Å; L335-F339 WeakPolarHBondContact O-CD2 2.95Å; A336-F339 PolarHBondContact O-N 2.99Å; I337-F339 VanDerWaalsContact C-N 3.28Å; I337-F339 PolarHBondContact O-N 3.36Å
340P80.6Confident81.8Confident47 Ų4784.6 Ų84.631%0.30542%0.417SS..  trans-69146.2173.627.8-33.6000111.2F342 I343P340-F342 HydrophobicContact CB-CD1 3.64Å; P340-F342 HydrophobicContact CB-CE1 3.27Å; P340-F342 HydrophobicContact CB-CE2 4.43Å; P340-F342 HydrophobicContact CB-CG 4.36Å; P340-F342 HydrophobicContact CB-CZ 3.71Å; P340-F342 HydrophobicContact CG-CD1 4.22Å; P340-F342 HydrophobicContact CG-CE1 3.61Å; P340-F342 HydrophobicContact CG-CE2 3.97Å; P340-F342 HydrophobicContact CG-CZ 3.45Å; P340-F342 VanDerWaalsContact CG-CZ 3.45Å; P340-F342 PolarHBondContact O-N 3.25Å; P340-F342 VanDerWaalsContact O-N 3.15Å; P340-I343 HydrophobicContact CG-CD1 3.58Å; P340-I343 HydrophobicContact CG-CG1 3.88Å; P340-I343 PolarHBondContact O-N 3.12Å
341G77.6Confident82.1Confident35 Ų3584.5 Ų84.536%0.36143%0.425SS..THydrogen-bonded Turntrans-65.6-17.3-175.600000115.1S322S322-G341 WeakPolarHBondContact CB-O 3.37Å
342F82.6Confident82.5Confident150 Ų15087.1 Ų87.166%0.65843%0.426SS*.THydrogen-bonded Turntrans-78.8-16.1178.464.8-105.9000113.4P340 K344P340-F342 HydrophobicContact CB-CD1 3.64Å; P340-F342 HydrophobicContact CB-CE1 3.27Å; P340-F342 HydrophobicContact CB-CE2 4.43Å; P340-F342 HydrophobicContact CB-CG 4.36Å; P340-F342 HydrophobicContact CB-CZ 3.71Å; P340-F342 HydrophobicContact CG-CD1 4.22Å; P340-F342 HydrophobicContact CG-CE1 3.61Å; P340-F342 HydrophobicContact CG-CE2 3.97Å; P340-F342 HydrophobicContact CG-CZ 3.45Å; P340-F342 VanDerWaalsContact CG-CZ 3.45Å; P340-F342 PolarHBondContact O-N 3.25Å; P340-F342 VanDerWaalsContact O-N 3.15Å; F342-K344 PolarHBondContact O-N 2.9Å; F342-K344 VanDerWaalsContact O-N 3.16Å
343I85.3Confident82.4Confident67 Ų6785.6 Ų85.634%0.34443%0.433SS..  trans-78106.2174.5-62173.9000108.1S322 I323 P340S322-I343 WeakPolarHBondContact CA-O 3.34Å; I323-I343 HydrophobicContact CD1-CG2 3.53Å; I323-I343 HydrophobicContact CG1-CG2 4.08Å; I323-I343 PolarHBondContact N-O 3.45Å; I323-I343 VanDerWaalsContact N-O 3.08Å; P340-I343 HydrophobicContact CG-CD1 3.58Å; P340-I343 HydrophobicContact CG-CG1 3.88Å; P340-I343 PolarHBondContact O-N 3.12Å
344K88.2Confident82.5Confident43 Ų4381.1 Ų81.119%0.18742%0.42CS..BIsolated β-bridgetrans-118.4143.1-176.4-60-178.7-172179.80110.7D302 E305 N319 R321 F342 P346D302-K344 IonicContact OD1-NZ 3.92Å; D302-K344 PolarHBondContact OD1-NZ 3.38Å; E305-K344 VanDerWaalsContact OE2-CE 3.24Å; E305-K344 WeakPolarHBondContact OE2-CE 3.31Å; E305-K344 IonicContact OE2-NZ 3.17Å; E305-K344 PolarHBondContact OE2-NZ 3.25Å; N319-K344 PolarHBondContact ND2-NZ 3.43Å; R321-K344 HydrophobicContact CG-CB 4.19Å; R321-K344 VanDerWaalsContact CZ-CD 3.48Å; R321-K344 CarbonylContact O-C 3.6Å; R321-K344 WeakPolarHBondContact O-CA 3.41Å; F342-K344 PolarHBondContact O-N 2.9Å; F342-K344 VanDerWaalsContact O-N 3.16Å; K344-P346 WeakPolarHBondContact O-CD 3.33Å
345I85.9Confident82.5Confident48 Ų4876.1 Ų76.125%0.24640%0.404CS..  trans-56.3123.5166.8-60.5178.6000107.4R321 L326 L349 I350R321-I345 WeakPolarHBondContact CD-O 3.36Å; R321-I345 HydrophobicContact CG-CB 4.07Å; R321-I345 WeakPolarHBondContact CG-O 3.45Å; R321-I345 PolarHBondContact NH1-O 3.18Å; R321-I345 PolarHBondContact O-N 2.99Å; L326-I345 HydrophobicContact CD1-CD1 3.47Å; L326-I345 VanDerWaalsContact CD1-CD1 3.47Å; L326-I345 HydrophobicContact CD1-CG1 4.47Å; I345-L349 HydrophobicContact CG2-CB 4Å; I345-L349 HydrophobicContact CG2-CD2 4.01Å; I345-L349 HydrophobicContact CG2-CG 4.13Å; I345-I350 HydrophobicContact CB-CG1 4.47Å; I345-I350 HydrophobicContact CG2-CD1 4.5Å; I345-I350 HydrophobicContact CG2-CG1 3.72Å
346P87.4Confident82.4Confident53 Ų5381.6 Ų81.634%0.34442%0.424SS..  trans-61.7146.2175.6-24.535.2000111.5K344 W348 L349 I350K344-P346 WeakPolarHBondContact O-CD 3.33Å; P346-W348 VanDerWaalsContact CB-CD1 3.42Å; P346-W348 HydrophobicContact CB-CD2 4.46Å; P346-W348 HydrophobicContact CB-CG 4.18Å; P346-W348 PolarHBondContact O-N 3.01Å; P346-L349 WeakPolarHBondContact O-CB 3.32Å; P346-L349 PolarHBondContact O-N 2.78Å; P346-I350 PolarHBondContact O-N 3.11Å
347Y87.5Confident82.4Confident109 Ų10993.4 Ų93.443%0.42748%0.476SS..Hα-helixtrans-58.4-35.4-179.7-71.2-64000113.4F299 D302 L349 I350 A351F299-Y347 AromaticContact CD2-CE1 3.72Å; F299-Y347 HydrophobicContact CD2-CE1 3.72Å; F299-Y347 HydrophobicContact CE2-CD1 4.32Å; F299-Y347 AromaticContact CE2-CE1 3.85Å; F299-Y347 HydrophobicContact CE2-CE1 3.85Å; D302-Y347 PolarHBondContact OD2-OH 2.86Å; Y347-L349 VanDerWaalsContact C-N 3.25Å; Y347-L349 PolarHBondContact O-N 2.94Å; Y347-I350 HydrophobicContact CD1-CD1 4.35Å; Y347-I350 PolarHBondContact O-N 3.43Å; Y347-A351 WeakPolarHBondContact O-CB 3.49Å; Y347-A351 PolarHBondContact O-N 3.45Å
348W86.6Confident82.4Confident162 Ų16291.8 Ų91.861%0.61447%0.468SS*.Hα-helixtrans-63.1-33.5177.267.3-100.6000112P346 A351 I352P346-W348 VanDerWaalsContact CB-CD1 3.42Å; P346-W348 HydrophobicContact CB-CD2 4.46Å; P346-W348 HydrophobicContact CB-CG 4.18Å; P346-W348 PolarHBondContact O-N 3.01Å; W348-A351 WeakPolarHBondContact O-CB 3.46Å; W348-A351 PolarHBondContact O-N 3.26Å; W348-I352 HydrophobicContact CE3-CD1 3.47Å; W348-I352 VanDerWaalsContact CE3-CD1 3.47Å; W348-I352 HydrophobicContact CE3-CG1 4.45Å; W348-I352 HydrophobicContact CZ3-CD1 3.57Å; W348-I352 WeakPolarHBondContact O-CG1 3.42Å; W348-I352 PolarHBondContact O-N 2.99Å
349L84.9Confident82.4Confident65 Ų6589.7 Ų89.734%0.3446%0.456SS..Hα-helixtrans-73.1-37.9177.6-174.858.4000111.1I345 P346 Y347 A351 I352 V353I345-L349 HydrophobicContact CG2-CB 4Å; I345-L349 HydrophobicContact CG2-CD2 4.01Å; I345-L349 HydrophobicContact CG2-CG 4.13Å; P346-L349 WeakPolarHBondContact O-CB 3.32Å; P346-L349 PolarHBondContact O-N 2.78Å; Y347-L349 VanDerWaalsContact C-N 3.25Å; Y347-L349 PolarHBondContact O-N 2.94Å; L349-A351 VanDerWaalsContact C-N 3.3Å; L349-A351 PolarHBondContact O-N 3.43Å; L349-I352 PolarHBondContact O-N 2.92Å; L349-V353 WeakPolarHBondContact O-CG2 3.44Å; L349-V353 PolarHBondContact O-N 2.99Å
350I83.6Confident82.4Confident28 Ų2890.5 Ų90.514%0.14446%0.463CS..Hα-helixtrans-60-45.3170.1-58.6176.8000110I198 F299 R321 I345 P346 Y347 I352 V353 S354I198-I350 HydrophobicContact CD1-CG2 4.13Å; I198-I350 HydrophobicContact CG2-CG2 3.76Å; F299-I350 HydrophobicContact CE1-CD1 4.49Å; F299-I350 HydrophobicContact CZ-CD1 4.03Å; R321-I350 HydrophobicContact CG-CD1 3.83Å; I345-I350 HydrophobicContact CB-CG1 4.47Å; I345-I350 HydrophobicContact CG2-CD1 4.5Å; I345-I350 HydrophobicContact CG2-CG1 3.72Å; P346-I350 PolarHBondContact O-N 3.11Å; Y347-I350 HydrophobicContact CD1-CD1 4.35Å; Y347-I350 PolarHBondContact O-N 3.43Å; I350-I352 VanDerWaalsContact C-N 3.31Å; I350-I352 PolarHBondContact O-N 3.14Å; I350-V353 PolarHBondContact O-N 2.68Å; I350-S354 WeakPolarHBondContact O-CB 3.23Å; I350-S354 PolarHBondContact O-N 2.63Å; I350-S354 PolarHBondContact O-OG 3.28Å
351A82.5Confident82.5Confident54 Ų5493.1 Ų93.145%0.44647%0.472SS..Hα-helixtrans-58.7-43.5178.800000111.5Y347 W348 L349 S354 S355Y347-A351 WeakPolarHBondContact O-CB 3.49Å; Y347-A351 PolarHBondContact O-N 3.45Å; W348-A351 WeakPolarHBondContact O-CB 3.46Å; W348-A351 PolarHBondContact O-N 3.26Å; L349-A351 VanDerWaalsContact C-N 3.3Å; L349-A351 PolarHBondContact O-N 3.43Å; A351-S354 WeakPolarHBondContact CA-OG 3.38Å; A351-S354 CarbonylContact O-C 3.58Å; A351-S354 PolarHBondContact O-N 3.18Å; A351-S354 PolarHBondContact O-OG 3.09Å; A351-S355 WeakPolarHBondContact O-CB 3.4Å; A351-S355 PolarHBondContact O-N 2.82Å
352I82.6Confident82.8Confident102 Ų10296.7 Ų96.752%0.52348%0.479SS..Hα-helixtrans-62.8-47.8175.1-70.3172.9000111.4W348 L349 I350 S354 S355W348-I352 HydrophobicContact CE3-CD1 3.47Å; W348-I352 VanDerWaalsContact CE3-CD1 3.47Å; W348-I352 HydrophobicContact CE3-CG1 4.45Å; W348-I352 HydrophobicContact CZ3-CD1 3.57Å; W348-I352 WeakPolarHBondContact O-CG1 3.42Å; W348-I352 PolarHBondContact O-N 2.99Å; L349-I352 PolarHBondContact O-N 2.92Å; I350-I352 VanDerWaalsContact C-N 3.31Å; I350-I352 PolarHBondContact O-N 3.14Å; I352-S354 PolarHBondContact O-N 2.8Å; I352-S355 WeakPolarHBondContact O-CB 3.47Å; I352-S355 PolarHBondContact O-N 2.94Å
353V76.9Confident82.9Confident117 Ų11793.1 Ų93.171%0.70947%0.467SS*.Hα-helixtrans-64.2-32.8179.9172.20000111.7L349 I350 S355L349-V353 WeakPolarHBondContact O-CG2 3.44Å; L349-V353 PolarHBondContact O-N 2.99Å; I350-V353 PolarHBondContact O-N 2.68Å; V353-S355 VanDerWaalsContact C-N 3.32Å
354S78.4Confident82.7Confident51 Ų5195 Ų9536%0.35748%0.476SS..THydrogen-bonded Turntrans-84.2-6.8173.769.10000114I350 A351 I352I350-S354 WeakPolarHBondContact O-CB 3.23Å; I350-S354 PolarHBondContact O-N 2.63Å; I350-S354 PolarHBondContact O-OG 3.28Å; A351-S354 WeakPolarHBondContact CA-OG 3.38Å; A351-S354 CarbonylContact O-C 3.58Å; A351-S354 PolarHBondContact O-N 3.18Å; A351-S354 PolarHBondContact O-OG 3.09Å; I352-S354 PolarHBondContact O-N 2.8Å
355S80Confident82.3Confident59 Ų5999 Ų9941%0.41350%0.499SS..  trans-66.5140.2-177.5-1690000109.4A351 I352 V353 F357A351-S355 WeakPolarHBondContact O-CB 3.4Å; A351-S355 PolarHBondContact O-N 2.82Å; I352-S355 WeakPolarHBondContact O-CB 3.47Å; I352-S355 PolarHBondContact O-N 2.94Å; V353-S355 VanDerWaalsContact C-N 3.32Å; S355-F357 VanDerWaalsContact C-N 3.3Å; S355-F357 WeakPolarHBondContact CB-O 3.4Å; S355-F357 PolarHBondContact OG-N 3.4Å; S355-F357 VanDerWaalsContact OG-N 3.08Å; S355-F357 PolarHBondContact OG-O 3Å
356K76.3Confident82Confident191 Ų191103.3 Ų103.383%0.8352%0.52SS*.  trans-92.43.5168.4-61.8-173.9179.9-177.90112.2
357F76.9Confident81.5Confident248 Ų248107.8 Ų107.8100%1.08854%0.536SS*.  trans-1380-174.6-56.7-71.9000110.6S355S355-F357 VanDerWaalsContact C-N 3.3Å; S355-F357 WeakPolarHBondContact CB-O 3.4Å; S355-F357 PolarHBondContact OG-N 3.4Å; S355-F357 VanDerWaalsContact OG-N 3.08Å; S355-F357 PolarHBondContact OG-O 3Å

Retrieved 357 of 357 residues in 302.8 ms (Link to these results)

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