G4LVK3_SCHMA Loading...

RNA helicase AlphaSync

AlphaFold DB , UniProt , Accession G4LVK3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 453 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
1M84.3Confident94.1Very high128 Ų12862 Ų6263%0.63134%0.343SS*.  0132.90-144.6162.7-87.700108.5E5 L6 P24 E29M1-E5 VanDerWaalsContact C-OE2 3.27Å; M1-E5 WeakPolarHBondContact CA-OE2 2.97Å; M1-E5 HydrophobicContact CG-CB 4.23Å; M1-L6 HydrophobicContact CG-CD2 3.72Å; M1-L6 HydrophobicContact CG-CG 4.28Å; M1-L6 HydrophobicContact SD-CD2 3.29Å; M1-L6 WeakPolarHBondContact SD-CD2 3.29Å; M1-L6 HydrophobicContact SD-CG 4.42Å; M1-P24 HydrophobicContact CB-CG 4.5Å; M1-P24 VanDerWaalsContact O-CD 3.3Å; M1-P24 WeakPolarHBondContact O-CD 3.49Å; M1-P24 WeakPolarHBondContact O-CG 3.47Å; M1-E29 HydrophobicContact CB-CG 4.11Å; M1-E29 VanDerWaalsContact CB-OE1 3.25Å; M1-E29 WeakPolarHBondContact CB-OE1 3.33Å; M1-E29 HydrophobicContact SD-CB 4.11Å; M1-E29 HydrophobicContact SD-CG 4.19Å
2T93.8Very high94.1Very high57 Ų5757 Ų5735%0.3532%0.315SS..  trans-99.6165.2171.169.20000110.1E4 E5 L6T2-E4 VanDerWaalsContact C-N 3.25Å; T2-E4 PolarHBondContact O-N 3.49Å; T2-E4 PolarHBondContact OG1-N 3.28Å; T2-E5 PolarHBondContact N-OE2 3.49Å; T2-E5 PolarHBondContact O-N 3.24Å; T2-E5 WeakPolarHBondContact OG1-CG 3.28Å; T2-E5 PolarHBondContact OG1-N 3Å; T2-E5 VanDerWaalsContact OG1-N 3.15Å; T2-L6 WeakPolarHBondContact O-CG 3.47Å; T2-L6 PolarHBondContact O-N 3.15Å
3F95.9Very high94.2Very high8 Ų853.5 Ų53.54%0.03530%0.296CS..THydrogen-bonded Turntrans-62.9-33.7173.2-76.6-75.8000112.5L6 V8 V13 L16 I21 P24 I32 I57F3-L6 HydrophobicContact CD1-CD1 4.29Å; F3-L6 WeakPolarHBondContact O-CB 3.41Å; F3-L6 PolarHBondContact O-N 3.06Å; F3-L6 VanDerWaalsContact O-N 3.13Å; F3-V8 HydrophobicContact CB-CB 4.17Å; F3-V8 HydrophobicContact CB-CG2 4.22Å; F3-V8 HydrophobicContact CD1-CG2 4.14Å; F3-V8 VanDerWaalsContact O-CB 3.27Å; F3-V8 WeakPolarHBondContact O-CB 3.47Å; F3-V8 WeakPolarHBondContact O-CG2 3.3Å; F3-V8 PolarHBondContact O-N 3.26Å; F3-V8 VanDerWaalsContact O-N 3.12Å; F3-V13 HydrophobicContact CB-CG2 3.93Å; F3-L16 HydrophobicContact CB-CD1 4.47Å; F3-L16 HydrophobicContact CD1-CD1 3.84Å; F3-L16 HydrophobicContact CD2-CD1 3.92Å; F3-L16 HydrophobicContact CE1-CD1 3.93Å; F3-L16 HydrophobicContact CE2-CD1 4.03Å; F3-L16 HydrophobicContact CG-CD1 3.82Å; F3-L16 HydrophobicContact CZ-CD1 4.03Å; F3-I21 HydrophobicContact CE2-CG2 3.84Å; F3-I21 HydrophobicContact CZ-CG2 3.94Å; F3-P24 HydrophobicContact CD1-CB 4.18Å; F3-P24 HydrophobicContact CE1-CB 3.8Å; F3-P24 HydrophobicContact CE2-CB 4.3Å; F3-P24 HydrophobicContact CZ-CB 3.87Å; F3-I32 HydrophobicContact CD1-CD1 4.19Å; F3-I32 HydrophobicContact CE1-CD1 3.96Å; F3-I57 HydrophobicContact CD1-CD1 4.33Å; F3-I57 HydrophobicContact CE1-CD1 3.79Å
4E95.4Very high94.1Very high115 Ų11556.7 Ų56.754%0.53731%0.308SS..THydrogen-bonded Turntrans-61.5-43.8174.9-64.8169.5-169.300110.9T2 L6 G7 V13 R17T2-E4 VanDerWaalsContact C-N 3.25Å; T2-E4 PolarHBondContact O-N 3.49Å; T2-E4 PolarHBondContact OG1-N 3.28Å; E4-L6 PolarHBondContact O-N 3.16Å; E4-G7 PolarHBondContact O-N 2.88Å; E4-V13 HydrophobicContact CG-CB 4.38Å; E4-V13 HydrophobicContact CG-CG1 3.95Å; E4-V13 HydrophobicContact CG-CG2 3.84Å; E4-R17 IonicContact OE1-NH2 3.37Å
5E95.5Very high94Very high134 Ų13453.9 Ų53.963%0.62629%0.293SS*.THydrogen-bonded Turntrans-64.5-22.9175.7-70.7168.8170.300113M1 T2 G7M1-E5 VanDerWaalsContact C-OE2 3.27Å; M1-E5 WeakPolarHBondContact CA-OE2 2.97Å; M1-E5 HydrophobicContact CG-CB 4.23Å; T2-E5 PolarHBondContact N-OE2 3.49Å; T2-E5 PolarHBondContact O-N 3.24Å; T2-E5 WeakPolarHBondContact OG1-CG 3.28Å; T2-E5 PolarHBondContact OG1-N 3Å; T2-E5 VanDerWaalsContact OG1-N 3.15Å; E5-G7 PolarHBondContact O-N 3.15Å
6L96.1Very high94Very high6 Ų650.6 Ų50.63%0.03128%0.275CS..THydrogen-bonded Turntrans-80.2-2.6173.8-61.4179.5000113.4M1 T2 F3 E4 V8 P24 E29 I32 P33M1-L6 HydrophobicContact CG-CD2 3.72Å; M1-L6 HydrophobicContact CG-CG 4.28Å; M1-L6 HydrophobicContact SD-CD2 3.29Å; M1-L6 WeakPolarHBondContact SD-CD2 3.29Å; M1-L6 HydrophobicContact SD-CG 4.42Å; T2-L6 WeakPolarHBondContact O-CG 3.47Å; T2-L6 PolarHBondContact O-N 3.15Å; F3-L6 HydrophobicContact CD1-CD1 4.29Å; F3-L6 WeakPolarHBondContact O-CB 3.41Å; F3-L6 PolarHBondContact O-N 3.06Å; F3-L6 VanDerWaalsContact O-N 3.13Å; E4-L6 PolarHBondContact O-N 3.16Å; L6-V8 HydrophobicContact CB-CG2 4.37Å; L6-P24 HydrophobicContact CD1-CB 3.65Å; L6-P24 HydrophobicContact CD1-CG 3.84Å; L6-E29 HydrophobicContact CD2-CB 4.4Å; L6-I32 HydrophobicContact CB-CG2 4.21Å; L6-I32 HydrophobicContact CD1-CB 4.39Å; L6-I32 HydrophobicContact CD1-CD1 4.19Å; L6-P33 HydrophobicContact CB-CG 4.12Å; L6-P33 HydrophobicContact CD2-CG 3.69Å; L6-P33 HydrophobicContact CG-CG 4.48Å
7G95.7Very high93.9Very high42 Ų4255.4 Ų55.443%0.43329%0.288SS..THydrogen-bonded Turntrans84.616.2-175.900000114.4E4 E5 L36 Q61E4-G7 PolarHBondContact O-N 2.88Å; E5-G7 PolarHBondContact O-N 3.15Å; G7-L36 WeakPolarHBondContact O-CD1 3.48Å; G7-Q61 PolarHBondContact O-NE2 3.1Å
8V96.3Very high93.7Very high7 Ų759.4 Ų59.44%0.04231%0.31CS..  trans-75.3133.3174.8-175.30000110.1F3 L6 I12 V13 I32 I57 Q61F3-V8 HydrophobicContact CB-CB 4.17Å; F3-V8 HydrophobicContact CB-CG2 4.22Å; F3-V8 HydrophobicContact CD1-CG2 4.14Å; F3-V8 VanDerWaalsContact O-CB 3.27Å; F3-V8 WeakPolarHBondContact O-CB 3.47Å; F3-V8 WeakPolarHBondContact O-CG2 3.3Å; F3-V8 PolarHBondContact O-N 3.26Å; F3-V8 VanDerWaalsContact O-N 3.12Å; L6-V8 HydrophobicContact CB-CG2 4.37Å; V8-I12 HydrophobicContact CG1-CB 3.75Å; V8-I12 HydrophobicContact CG1-CG2 3.61Å; V8-V13 HydrophobicContact CB-CG2 4.02Å; V8-V13 HydrophobicContact CG1-CG2 3.91Å; V8-I32 HydrophobicContact CG2-CG2 3.78Å; V8-I57 HydrophobicContact CB-CG2 4.43Å; V8-I57 HydrophobicContact CG1-CG2 3.79Å; V8-I57 HydrophobicContact CG2-CG2 3.71Å; V8-Q61 VanDerWaalsContact CA-OE1 3.25Å
9C94.6Very high93.3Very high22 Ų2261.1 Ų61.115%0.14931%0.314CS..  trans-68.6152.4-176.474.80000112.8E11 I12 V13 Q61C9-E11 VanDerWaalsContact C-N 3.26Å; C9-E11 WeakPolarHBondContact CB-OE2 3.42Å; C9-E11 PolarHBondContact O-N 3.26Å; C9-E11 VanDerWaalsContact O-N 3.16Å; C9-E11 PolarHBondContact SG-OE2 3.48Å; C9-I12 PolarHBondContact O-N 3.19Å; C9-I12 VanDerWaalsContact O-N 3.15Å; C9-V13 WeakPolarHBondContact O-CG2 3.37Å; C9-V13 PolarHBondContact O-N 3.47Å; C9-Q61 HydrophobicContact CB-CG 4.49Å
10P94.6Very high93.1Very high95 Ų9560.7 Ų60.762%0.61733%0.325SS*.Hα-helixtrans-54.8-37.2-173.8-27.535.9000114.4I12 V13 E14P10-I12 PolarHBondContact O-N 2.86Å; P10-V13 PolarHBondContact O-N 2.77Å; P10-E14 WeakPolarHBondContact O-CB 3.25Å; P10-E14 PolarHBondContact O-N 3.41Å
11E93.1Very high93Very high68 Ų6860.8 Ų60.832%0.31833%0.325SS..Hα-helixtrans-67.4-37.9-177.4-5484.1170.300112.1C9 L15 M64 I95C9-E11 VanDerWaalsContact C-N 3.26Å; C9-E11 WeakPolarHBondContact CB-OE2 3.42Å; C9-E11 PolarHBondContact O-N 3.26Å; C9-E11 VanDerWaalsContact O-N 3.16Å; C9-E11 PolarHBondContact SG-OE2 3.48Å; E11-L15 PolarHBondContact O-N 2.97Å; E11-M64 HydrophobicContact CB-CE 4.01Å; E11-M64 HydrophobicContact CG-CE 4.09Å; E11-I95 HydrophobicContact CB-CG2 3.73Å; E11-I95 HydrophobicContact CG-CG2 4.39Å
12I94.4Very high93.3Very high2 Ų259.8 Ų59.81%0.0132%0.323CS..Hα-helixtrans-73.8-37.3174.5-65.4173.2000109.9V8 C9 P10 E14 L15 L16 I57 L60 Q61 M64 I95V8-I12 HydrophobicContact CG1-CB 3.75Å; V8-I12 HydrophobicContact CG1-CG2 3.61Å; C9-I12 PolarHBondContact O-N 3.19Å; C9-I12 VanDerWaalsContact O-N 3.15Å; P10-I12 PolarHBondContact O-N 2.86Å; I12-E14 VanDerWaalsContact C-N 3.33Å; I12-E14 PolarHBondContact O-N 3.12Å; I12-L15 WeakPolarHBondContact O-CB 3.47Å; I12-L15 PolarHBondContact O-N 3.13Å; I12-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 HydrophobicContact CG2-CG 4.21Å; I12-L16 WeakPolarHBondContact O-CB 3.39Å; I12-L16 VanDerWaalsContact O-CG 3.23Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.37Å; I12-I57 HydrophobicContact CG2-CG1 4.46Å; I12-I57 HydrophobicContact CG2-CG2 4.22Å; I12-L60 HydrophobicContact CD1-CB 4.27Å; I12-Q61 HydrophobicContact CD1-CB 3.76Å; I12-M64 HydrophobicContact CD1-SD 3.91Å; I12-M64 HydrophobicContact CG1-SD 4.02Å; I12-I95 HydrophobicContact CG1-CD1 3.79Å
13V95.2Very high93.3Very high12 Ų1265 Ų657%0.07334%0.34CS..Hα-helixtrans-61.3-43.3176.4174.20000111.2F3 E4 V8 C9 P10 L16 R17F3-V13 HydrophobicContact CB-CG2 3.93Å; E4-V13 HydrophobicContact CG-CB 4.38Å; E4-V13 HydrophobicContact CG-CG1 3.95Å; E4-V13 HydrophobicContact CG-CG2 3.84Å; V8-V13 HydrophobicContact CB-CG2 4.02Å; V8-V13 HydrophobicContact CG1-CG2 3.91Å; C9-V13 WeakPolarHBondContact O-CG2 3.37Å; C9-V13 PolarHBondContact O-N 3.47Å; P10-V13 PolarHBondContact O-N 2.77Å; V13-L16 PolarHBondContact O-N 3.23Å; V13-R17 PolarHBondContact O-N 3.29Å
14E93.1Very high93.2Very high98 Ų9865.2 Ų65.246%0.45834%0.343SS..Hα-helixtrans-60-48.3174.6-174.6171.7-158.100111.1P10 I12 L16 R17 D18P10-E14 WeakPolarHBondContact O-CB 3.25Å; P10-E14 PolarHBondContact O-N 3.41Å; I12-E14 VanDerWaalsContact C-N 3.33Å; I12-E14 PolarHBondContact O-N 3.12Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 2.89Å; E14-R17 WeakPolarHBondContact O-CB 3.31Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 VanDerWaalsContact O-N 3.1Å; E14-D18 PolarHBondContact O-N 2.69Å
15L92.7Very high93.1Very high15 Ų1562.1 Ų62.18%0.07933%0.332CS..Hα-helixtrans-57.7-41.9175.2177.865.7000113E11 I12 R17 D18 K19 L92 L94 I95E11-L15 PolarHBondContact O-N 2.97Å; I12-L15 WeakPolarHBondContact O-CB 3.47Å; I12-L15 PolarHBondContact O-N 3.13Å; L15-R17 VanDerWaalsContact C-N 3.33Å; L15-D18 PolarHBondContact O-N 2.64Å; L15-K19 WeakPolarHBondContact O-CG 3.08Å; L15-K19 PolarHBondContact O-N 2.97Å; L15-K19 VanDerWaalsContact O-N 3.14Å; L15-L92 HydrophobicContact CD2-CB 4.49Å; L15-L92 HydrophobicContact CD2-CD2 4.5Å; L15-L92 WeakPolarHBondContact CD2-O 3.4Å; L15-L94 HydrophobicContact CD1-CB 4.47Å; L15-L94 WeakPolarHBondContact CD1-O 3.27Å; L15-I95 HydrophobicContact CD2-CD1 4.04Å
16L93.3Very high93Very high1 Ų160.9 Ų60.91%0.00533%0.326CS..Hα-helixtrans-64.1-41.4177.9-71.5171.4000110.7F3 I12 V13 E14 K19 G20 I21 I57 L92F3-L16 HydrophobicContact CB-CD1 4.47Å; F3-L16 HydrophobicContact CD1-CD1 3.84Å; F3-L16 HydrophobicContact CD2-CD1 3.92Å; F3-L16 HydrophobicContact CE1-CD1 3.93Å; F3-L16 HydrophobicContact CE2-CD1 4.03Å; F3-L16 HydrophobicContact CG-CD1 3.82Å; F3-L16 HydrophobicContact CZ-CD1 4.03Å; I12-L16 HydrophobicContact CG2-CD1 4.01Å; I12-L16 HydrophobicContact CG2-CG 4.21Å; I12-L16 WeakPolarHBondContact O-CB 3.39Å; I12-L16 VanDerWaalsContact O-CG 3.23Å; I12-L16 WeakPolarHBondContact O-CG 3.4Å; I12-L16 PolarHBondContact O-N 3.37Å; V13-L16 PolarHBondContact O-N 3.23Å; E14-L16 VanDerWaalsContact C-N 3.31Å; E14-L16 PolarHBondContact O-N 2.89Å; L16-K19 CarbonylContact O-C 3.35Å; L16-K19 PolarHBondContact O-N 3.1Å; L16-G20 PolarHBondContact O-N 3.3Å; L16-I21 CarbonylContact C-O 3.23Å; L16-I21 HydrophobicContact CB-CB 4.27Å; L16-I21 HydrophobicContact CD2-CB 4.33Å; L16-I21 HydrophobicContact CD2-CD1 4.03Å; L16-I21 HydrophobicContact CD2-CG2 4.41Å; L16-I21 WeakPolarHBondContact O-CA 3.36Å; L16-I21 WeakPolarHBondContact O-CB 3.23Å; L16-I21 PolarHBondContact O-N 2.88Å; L16-I57 HydrophobicContact CD1-CD1 3.9Å; L16-I57 HydrophobicContact CD1-CG1 4.49Å; L16-I57 HydrophobicContact CD2-CD1 4.24Å; L16-L92 HydrophobicContact CD2-CD2 3.72Å
17R92.4Very high92.8Very high131 Ų13160.7 Ų60.749%0.49433%0.325SS..Hα-helixtrans-62-44.3175.7-169.2-174.7-62139.11.2111.9E4 V13 E14 L15 K19 G20E4-R17 IonicContact OE1-NH2 3.37Å; V13-R17 PolarHBondContact O-N 3.29Å; E14-R17 WeakPolarHBondContact O-CB 3.31Å; E14-R17 PolarHBondContact O-N 3.34Å; E14-R17 VanDerWaalsContact O-N 3.1Å; L15-R17 VanDerWaalsContact C-N 3.33Å; R17-K19 PolarHBondContact O-N 2.74Å; R17-G20 WeakPolarHBondContact O-CA 3.28Å; R17-G20 PolarHBondContact O-N 2.59Å
18D89.4Confident92.9Very high128 Ų12859.1 Ų59.168%0.68431%0.306SS*.Hα-helixtrans-62.2-30.2176.7-73.2-10.1000112.6E14 L15 G20E14-D18 PolarHBondContact O-N 2.69Å; L15-D18 PolarHBondContact O-N 2.64Å; D18-G20 VanDerWaalsContact C-N 3.25Å; D18-G20 PolarHBondContact O-N 3.48Å
19K87.1Confident92.8Very high92 Ų9261.9 Ų61.940%0.432%0.319SS..THydrogen-bonded Turntrans-83.13.7172.2-66.2-173.8-167-55.10113.8L15 L16 R17 I21 G91 L92L15-K19 WeakPolarHBondContact O-CG 3.08Å; L15-K19 PolarHBondContact O-N 2.97Å; L15-K19 VanDerWaalsContact O-N 3.14Å; L16-K19 CarbonylContact O-C 3.35Å; L16-K19 PolarHBondContact O-N 3.1Å; R17-K19 PolarHBondContact O-N 2.74Å; K19-I21 VanDerWaalsContact C-N 3.31Å; K19-I21 HydrophobicContact CB-CD1 4.35Å; K19-I21 HydrophobicContact CB-CG1 4.29Å; K19-I21 PolarHBondContact O-N 3.3Å; K19-G91 VanDerWaalsContact CE-C 3.46Å; K19-G91 WeakPolarHBondContact CE-O 3.35Å; K19-G91 PolarHBondContact NZ-O 2.89Å; K19-L92 HydrophobicContact CD-CD2 4.21Å
20G90.1Very high92.8Very high52 Ų5262 Ų6254%0.53632%0.324SS..THydrogen-bonded Turntrans75.613.5-178.100000114.8L16 R17 D18 N22L16-G20 PolarHBondContact O-N 3.3Å; R17-G20 WeakPolarHBondContact O-CA 3.28Å; R17-G20 PolarHBondContact O-N 2.59Å; D18-G20 VanDerWaalsContact C-N 3.25Å; D18-G20 PolarHBondContact O-N 3.48Å; G20-N22 PolarHBondContact O-N 3.29Å; G20-N22 PolarHBondContact O-ND2 2.98Å
21I90.5Very high92.9Very high63 Ų6357.5 Ų57.532%0.32329%0.294SS..  trans-94.187.9-179.9-51.8176000108.9F3 L16 K19F3-I21 HydrophobicContact CE2-CG2 3.84Å; F3-I21 HydrophobicContact CZ-CG2 3.94Å; L16-I21 CarbonylContact C-O 3.23Å; L16-I21 HydrophobicContact CB-CB 4.27Å; L16-I21 HydrophobicContact CD2-CB 4.33Å; L16-I21 HydrophobicContact CD2-CD1 4.03Å; L16-I21 HydrophobicContact CD2-CG2 4.41Å; L16-I21 WeakPolarHBondContact O-CA 3.36Å; L16-I21 WeakPolarHBondContact O-CB 3.23Å; L16-I21 PolarHBondContact O-N 2.88Å; K19-I21 VanDerWaalsContact C-N 3.31Å; K19-I21 HydrophobicContact CB-CD1 4.35Å; K19-I21 HydrophobicContact CB-CG1 4.29Å; K19-I21 PolarHBondContact O-N 3.3Å
22N89.8Confident93.2Very high107 Ų10754.2 Ų54.257%0.57228%0.279SS*.  trans-92.8-21.4-172-63.6-56.4000114.8G20G20-N22 PolarHBondContact O-N 3.29Å; G20-N22 PolarHBondContact O-ND2 2.98Å
23K93.7Very high93.3Very high167 Ų16756 Ų5673%0.72629%0.291SS*.SBendtrans-135.1138.8-177.9-68.6-172.2177.6-176.30110.7
24P94.7Very high93.4Very high12 Ų1256.7 Ų56.78%0.07830%0.295CS..  trans-66.8149.6174.130-35.2000110.8M1 F3 L6 Q28 E29M1-P24 HydrophobicContact CB-CG 4.5Å; M1-P24 VanDerWaalsContact O-CD 3.3Å; M1-P24 WeakPolarHBondContact O-CD 3.49Å; M1-P24 WeakPolarHBondContact O-CG 3.47Å; F3-P24 HydrophobicContact CD1-CB 4.18Å; F3-P24 HydrophobicContact CE1-CB 3.8Å; F3-P24 HydrophobicContact CE2-CB 4.3Å; F3-P24 HydrophobicContact CZ-CB 3.87Å; L6-P24 HydrophobicContact CD1-CB 3.65Å; L6-P24 HydrophobicContact CD1-CG 3.84Å; P24-Q28 VanDerWaalsContact CA-OE1 3.29Å; P24-Q28 HydrophobicContact CB-CB 3.92Å; P24-E29 HydrophobicContact CB-CG 3.78Å; P24-E29 HydrophobicContact CG-CG 3.56Å
25T93.1Very high93.6Very high51 Ų5152.2 Ų52.231%0.31327%0.274SS..  trans-81.7162.6168.164.80000110.6V27 Q28 E29 S49T25-V27 PolarHBondContact O-N 2.9Å; T25-V27 VanDerWaalsContact O-N 3.11Å; T25-V27 WeakPolarHBondContact OG1-CG1 3.38Å; T25-Q28 CarbonylContact O-C 3.55Å; T25-Q28 WeakPolarHBondContact O-CA 3.49Å; T25-Q28 WeakPolarHBondContact O-CB 3.44Å; T25-Q28 PolarHBondContact O-N 3.41Å; T25-Q28 VanDerWaalsContact OG1-CG 3.3Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.49Å; T25-Q28 PolarHBondContact OG1-OE1 2.97Å; T25-E29 PolarHBondContact O-N 2.85Å; T25-S49 WeakPolarHBondContact CB-O 3.48Å; T25-S49 WeakPolarHBondContact CG2-O 3.44Å; T25-S49 PolarHBondContact OG1-O 3.07Å
26E92.8Very high93.8Very high108 Ų10853.7 Ų53.751%0.50528%0.282SS..Hα-helixtrans-49-42.3179.8-160.6-163.1160.800113.5E29 G30 W225 P227E26-E29 PolarHBondContact O-N 3.27Å; E26-G30 PolarHBondContact O-N 2.95Å; E26-W225 HydrophobicContact CB-CH2 4.49Å; E26-W225 HydrophobicContact CB-CZ2 4.37Å; E26-W225 HydrophobicContact CG-CH2 4.36Å; E26-W225 HydrophobicContact CG-CZ2 3.96Å; E26-W225 VanDerWaalsContact O-CZ2 3.27Å; E26-W225 WeakPolarHBondContact O-CZ2 3.45Å; E26-P227 WeakPolarHBondContact OE1-CA 3.39Å; E26-P227 VanDerWaalsContact OE1-CB 3.3Å; E26-P227 WeakPolarHBondContact OE1-CB 3.35Å
27V93Very high93.9Very high1 Ų159.9 Ų59.91%0.00631%0.311CS..Hα-helixtrans-70.6-31.8176.666.40000112.7T25 C31 A43 A45 S49 K51 F195 W225T25-V27 PolarHBondContact O-N 2.9Å; T25-V27 VanDerWaalsContact O-N 3.11Å; T25-V27 WeakPolarHBondContact OG1-CG1 3.38Å; V27-C31 WeakPolarHBondContact O-CB 3.39Å; V27-C31 PolarHBondContact O-N 2.93Å; V27-C31 PolarHBondContact O-SG 3.44Å; V27-C31 VanDerWaalsContact O-SG 3.32Å; V27-A43 HydrophobicContact CG2-CB 4.5Å; V27-A45 HydrophobicContact CB-CB 4.13Å; V27-A45 HydrophobicContact CG2-CB 3.99Å; V27-S49 WeakPolarHBondContact CG1-O 3.42Å; V27-K51 HydrophobicContact CG1-CG 4.5Å; V27-K51 HydrophobicContact CG2-CG 4.35Å; V27-F195 HydrophobicContact CG2-CE1 4.49Å; V27-W225 HydrophobicContact CB-CE3 4.23Å; V27-W225 HydrophobicContact CB-CH2 3.54Å; V27-W225 HydrophobicContact CB-CZ2 4.19Å; V27-W225 HydrophobicContact CB-CZ3 3.57Å; V27-W225 HydrophobicContact CG2-CD2 4.47Å; V27-W225 HydrophobicContact CG2-CE3 3.76Å; V27-W225 HydrophobicContact CG2-CH2 4.03Å; V27-W225 HydrophobicContact CG2-CZ3 3.53Å
28Q96.3Very high94.1Very high9 Ų955.8 Ų55.84%0.04231%0.309CS..Hα-helixtrans-71.6-43.4175.8-69164.6100110.1P24 T25 G30 C31 I32 G50 A54P24-Q28 VanDerWaalsContact CA-OE1 3.29Å; P24-Q28 HydrophobicContact CB-CB 3.92Å; T25-Q28 CarbonylContact O-C 3.55Å; T25-Q28 WeakPolarHBondContact O-CA 3.49Å; T25-Q28 WeakPolarHBondContact O-CB 3.44Å; T25-Q28 PolarHBondContact O-N 3.41Å; T25-Q28 VanDerWaalsContact OG1-CG 3.3Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.49Å; T25-Q28 PolarHBondContact OG1-OE1 2.97Å; Q28-G30 VanDerWaalsContact C-N 3.32Å; Q28-G30 PolarHBondContact O-N 3.28Å; Q28-C31 PolarHBondContact O-N 3.44Å; Q28-I32 HydrophobicContact CB-CD1 3.74Å; Q28-I32 HydrophobicContact CB-CG1 4.33Å; Q28-I32 HydrophobicContact CG-CD1 4.24Å; Q28-I32 VanDerWaalsContact O-CB 3.26Å; Q28-I32 WeakPolarHBondContact O-CB 3.43Å; Q28-I32 VanDerWaalsContact O-CG1 3.28Å; Q28-I32 WeakPolarHBondContact O-CG1 3.28Å; Q28-I32 PolarHBondContact O-N 3.08Å; Q28-G50 PolarHBondContact NE2-O 3.31Å; Q28-G50 VanDerWaalsContact NE2-O 3.09Å; Q28-A54 HydrophobicContact CG-CB 3.84Å
29E96Very high94.4Very high66 Ų6650.5 Ų50.531%0.30828%0.281SS..Hα-helixtrans-57-45.6174.4-67.1-178.815700111.5M1 L6 P24 T25 E26 P33M1-E29 HydrophobicContact CB-CG 4.11Å; M1-E29 VanDerWaalsContact CB-OE1 3.25Å; M1-E29 WeakPolarHBondContact CB-OE1 3.33Å; M1-E29 HydrophobicContact SD-CB 4.11Å; M1-E29 HydrophobicContact SD-CG 4.19Å; L6-E29 HydrophobicContact CD2-CB 4.4Å; P24-E29 HydrophobicContact CB-CG 3.78Å; P24-E29 HydrophobicContact CG-CG 3.56Å; T25-E29 PolarHBondContact O-N 2.85Å; E26-E29 PolarHBondContact O-N 3.27Å; E29-P33 WeakPolarHBondContact O-CD 3.11Å
30G94.1Very high94.9Very high24 Ų2447.3 Ų47.325%0.24727%0.268CS..Hα-helixtrans-80.8-24.1-177.900000116.1E26 Q28E26-G30 PolarHBondContact O-N 2.95Å; Q28-G30 VanDerWaalsContact C-N 3.32Å; Q28-G30 PolarHBondContact O-N 3.28Å
31C97.1Very high95.2Very high0 Ų044.9 Ų44.90%024%0.243CC..Hα-helixtrans-103.2-38.1-175.8-65.90000114V27 Q28 V34 I35 A54V27-C31 WeakPolarHBondContact O-CB 3.39Å; V27-C31 PolarHBondContact O-N 2.93Å; V27-C31 PolarHBondContact O-SG 3.44Å; V27-C31 VanDerWaalsContact O-SG 3.32Å; Q28-C31 PolarHBondContact O-N 3.44Å; C31-V34 PolarHBondContact O-N 3.49Å; C31-I35 HydrophobicContact CB-CD1 3.91Å; C31-I35 WeakPolarHBondContact O-CD1 3.4Å; C31-I35 WeakPolarHBondContact O-CG1 3.33Å; C31-I35 PolarHBondContact O-N 3.32Å; C31-A54 HydrophobicContact CB-CB 4.38Å
32I97.9Very high95.5Very high0 Ų042.2 Ų42.20%023%0.23CC..Hα-helixtrans-57.9-51.6-171.9-70.4173.5000112.1F3 L6 V8 Q28 V34 I35 L36 I57F3-I32 HydrophobicContact CD1-CD1 4.19Å; F3-I32 HydrophobicContact CE1-CD1 3.96Å; L6-I32 HydrophobicContact CB-CG2 4.21Å; L6-I32 HydrophobicContact CD1-CB 4.39Å; L6-I32 HydrophobicContact CD1-CD1 4.19Å; V8-I32 HydrophobicContact CG2-CG2 3.78Å; Q28-I32 HydrophobicContact CB-CD1 3.74Å; Q28-I32 HydrophobicContact CB-CG1 4.33Å; Q28-I32 HydrophobicContact CG-CD1 4.24Å; Q28-I32 VanDerWaalsContact O-CB 3.26Å; Q28-I32 WeakPolarHBondContact O-CB 3.43Å; Q28-I32 VanDerWaalsContact O-CG1 3.28Å; Q28-I32 WeakPolarHBondContact O-CG1 3.28Å; Q28-I32 PolarHBondContact O-N 3.08Å; I32-V34 VanDerWaalsContact C-N 3.3Å; I32-V34 PolarHBondContact O-N 3.05Å; I32-I35 PolarHBondContact O-N 3.17Å; I32-L36 HydrophobicContact CG2-CD1 3.84Å; I32-L36 HydrophobicContact CG2-CG 4.26Å; I32-L36 WeakPolarHBondContact O-CG 3.17Å; I32-L36 PolarHBondContact O-N 2.98Å; I32-I57 HydrophobicContact CD1-CB 4.41Å; I32-I57 HydrophobicContact CD1-CD1 3.86Å; I32-I57 HydrophobicContact CD1-CG2 4.34Å
33P97.1Very high95.7Very high39 Ų3937.1 Ų37.125%0.25320%0.202SC..Hα-helixtrans-60.6-42.4-178.7-22.533.6000112L6 E29 I35 L36 E37L6-P33 HydrophobicContact CB-CG 4.12Å; L6-P33 HydrophobicContact CD2-CG 3.69Å; L6-P33 HydrophobicContact CG-CG 4.48Å; E29-P33 WeakPolarHBondContact O-CD 3.11Å; P33-I35 VanDerWaalsContact C-N 3.32Å; P33-I35 PolarHBondContact O-N 3.23Å; P33-L36 PolarHBondContact O-N 3.18Å; P33-E37 WeakPolarHBondContact O-CG 3.26Å; P33-E37 PolarHBondContact O-N 3.21Å; P33-E37 VanDerWaalsContact O-N 3.08Å
34V96.5Very high95.6Very high27 Ų2729.1 Ų29.116%0.16417%0.168CC..Hα-helixtrans-64-38-179.4-1800000111.8C31 I32 N39 V41 I223C31-V34 PolarHBondContact O-N 3.49Å; I32-V34 VanDerWaalsContact C-N 3.3Å; I32-V34 PolarHBondContact O-N 3.05Å; V34-N39 HydrophobicContact CG1-CB 3.82Å; V34-N39 WeakPolarHBondContact O-CB 3.43Å; V34-N39 PolarHBondContact O-N 3.28Å; V34-N39 PolarHBondContact O-ND2 3.39Å; V34-V41 HydrophobicContact CB-CG2 4.25Å; V34-V41 HydrophobicContact CG1-CG2 3.57Å; V34-I223 HydrophobicContact CG1-CB 4.22Å; V34-I223 HydrophobicContact CG1-CD1 3.36Å; V34-I223 HydrophobicContact CG1-CG1 4.36Å; V34-I223 HydrophobicContact CG1-CG2 4.39Å
35I98Very high95.2Very high3 Ų328.7 Ų28.72%0.01517%0.165CC..Hα-helixtrans-73.8-39.8178-62.6165000110.6C31 I32 P33 E37 G38 V41 A54 P58 Q191 L193 F195C31-I35 HydrophobicContact CB-CD1 3.91Å; C31-I35 WeakPolarHBondContact O-CD1 3.4Å; C31-I35 WeakPolarHBondContact O-CG1 3.33Å; C31-I35 PolarHBondContact O-N 3.32Å; I32-I35 PolarHBondContact O-N 3.17Å; P33-I35 VanDerWaalsContact C-N 3.32Å; P33-I35 PolarHBondContact O-N 3.23Å; I35-E37 VanDerWaalsContact C-N 3.25Å; I35-E37 PolarHBondContact O-N 2.79Å; I35-G38 WeakPolarHBondContact O-CA 3.26Å; I35-G38 PolarHBondContact O-N 3.34Å; I35-V41 HydrophobicContact CG1-CB 4.41Å; I35-V41 HydrophobicContact CG1-CG2 3.8Å; I35-A54 WeakPolarHBondContact CD1-O 3.46Å; I35-P58 HydrophobicContact CB-CB 4.04Å; I35-P58 HydrophobicContact CB-CG 3.81Å; I35-P58 HydrophobicContact CD1-CG 4.25Å; I35-P58 HydrophobicContact CG2-CB 3.58Å; I35-P58 HydrophobicContact CG2-CG 3.39Å; I35-Q191 PolarHBondContact O-NE2 3.24Å; I35-L193 HydrophobicContact CD1-CD1 4.09Å; I35-L193 HydrophobicContact CD1-CD2 4.4Å; I35-L193 HydrophobicContact CG1-CD1 4.24Å; I35-L193 HydrophobicContact CG1-CD2 3.9Å; I35-L193 HydrophobicContact CG2-CD1 3.7Å; I35-L193 HydrophobicContact CG2-CD2 4.19Å; I35-F195 HydrophobicContact CD1-CZ 4Å
36L97.2Very high94.5Very high47 Ų4732 Ų3225%0.24618%0.175CC..Hα-helixtrans-60.6-34175.9-74.2174.8000112.5G7 I32 P33 G38 P58 Q61G7-L36 WeakPolarHBondContact O-CD1 3.48Å; I32-L36 HydrophobicContact CG2-CD1 3.84Å; I32-L36 HydrophobicContact CG2-CG 4.26Å; I32-L36 WeakPolarHBondContact O-CG 3.17Å; I32-L36 PolarHBondContact O-N 2.98Å; P33-L36 PolarHBondContact O-N 3.18Å; L36-G38 PolarHBondContact O-N 2.88Å; L36-P58 HydrophobicContact CD2-CB 3.59Å; L36-P58 HydrophobicContact CG-CB 3.9Å; L36-Q61 HydrophobicContact CD2-CB 4.13Å; L36-Q61 HydrophobicContact CD2-CG 4.15Å
37E95.7Very high93.5Very high130 Ų13028.5 Ų28.561%0.60716%0.161SC*.THydrogen-bonded Turntrans-68.8-7.6172.2-74176.1-166.100114.1P33 I35 N39 R220P33-E37 WeakPolarHBondContact O-CG 3.26Å; P33-E37 PolarHBondContact O-N 3.21Å; P33-E37 VanDerWaalsContact O-N 3.08Å; I35-E37 VanDerWaalsContact C-N 3.25Å; I35-E37 PolarHBondContact O-N 2.79Å; E37-N39 VanDerWaalsContact CB-ND2 3.28Å; E37-N39 WeakPolarHBondContact CB-ND2 3.44Å; E37-N39 PolarHBondContact OE2-ND2 3.22Å; E37-R220 IonicContact OE2-NH1 2.69Å
38G95.4Very high92.6Very high45 Ų4532 Ų3246%0.46420%0.197SC..THydrogen-bonded Turntrans84.414-179.700000114.8I35 L36 Q191I35-G38 WeakPolarHBondContact O-CA 3.26Å; I35-G38 PolarHBondContact O-N 3.34Å; L36-G38 PolarHBondContact O-N 2.88Å; G38-Q191 VanDerWaalsContact C-NE2 3.28Å
39N96.1Very high91.9Very high18 Ų1832.5 Ų32.510%0.09620%0.202CC..  trans-79.3149.9179.6-53.7-64.6000112.1V34 E37 Q191 R220 I223V34-N39 HydrophobicContact CG1-CB 3.82Å; V34-N39 WeakPolarHBondContact O-CB 3.43Å; V34-N39 PolarHBondContact O-N 3.28Å; V34-N39 PolarHBondContact O-ND2 3.39Å; E37-N39 VanDerWaalsContact CB-ND2 3.28Å; E37-N39 WeakPolarHBondContact CB-ND2 3.44Å; E37-N39 PolarHBondContact OE2-ND2 3.22Å; N39-Q191 WeakPolarHBondContact O-CG 3.34Å; N39-Q191 PolarHBondContact O-NE2 3.28Å; N39-R220 VanDerWaalsContact CG-NH1 3.28Å; N39-R220 PolarHBondContact ND2-NH1 2.89Å; N39-R220 WeakPolarHBondContact OD1-CD 3.43Å; N39-R220 PolarHBondContact OD1-NH1 3.25Å; N39-I223 HydrophobicContact CB-CD1 3.99Å
40D97.2Very high91.5Very high24 Ų2430.5 Ų30.513%0.12820%0.199CC..  trans-70.8140.6168.2-68.7-14.3000110Q191 T192 R219 P222 I223D40-Q191 VanDerWaalsContact OD1-CA 3.3Å; D40-Q191 WeakPolarHBondContact OD1-CA 3.41Å; D40-T192 WeakPolarHBondContact CA-O 3.39Å; D40-T192 WeakPolarHBondContact CB-O 3.36Å; D40-T192 PolarHBondContact OD1-N 3.08Å; D40-R219 IonicContact OD2-NH1 2.7Å; D40-P222 HydrophobicContact CB-CB 3.82Å; D40-P222 WeakPolarHBondContact O-CA 3.1Å; D40-I223 PolarHBondContact O-N 3.48Å
41V97Very high91.4Very high2 Ų230.1 Ų30.11%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-132.1136.2-177.4177.50000110.9V34 I35 A43 T192 L193 L194 I223V34-V41 HydrophobicContact CB-CG2 4.25Å; V34-V41 HydrophobicContact CG1-CG2 3.57Å; I35-V41 HydrophobicContact CG1-CB 4.41Å; I35-V41 HydrophobicContact CG1-CG2 3.8Å; V41-A43 HydrophobicContact CG1-CB 4.01Å; V41-T192 PolarHBondContact N-O 3.02Å; V41-L193 HydrophobicContact CB-CD2 4.05Å; V41-L193 HydrophobicContact CG2-CD2 4.29Å; V41-L193 CarbonylContact O-C 3.59Å; V41-L193 WeakPolarHBondContact O-CA 3.25Å; V41-L194 PolarHBondContact O-N 3.29Å; V41-I223 CarbonylContact C-O 3.55Å; V41-I223 WeakPolarHBondContact CA-O 3.36Å
42V96.2Very high91.3Very high6 Ų631.1 Ų31.14%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-113106.3163.9175.10000107L194 V203 L207 P222 I223 L224 W225V42-L194 CarbonylContact C-O 3.38Å; V42-L194 WeakPolarHBondContact CA-O 3.43Å; V42-L194 HydrophobicContact CG1-CD2 4.16Å; V42-L194 HydrophobicContact CG2-CB 4.15Å; V42-V203 HydrophobicContact CG1-CG1 4.12Å; V42-L207 HydrophobicContact CB-CD1 4.05Å; V42-L207 HydrophobicContact CG2-CB 4.44Å; V42-L207 HydrophobicContact CG2-CD1 3.54Å; V42-P222 HydrophobicContact CG2-CB 4.28Å; V42-I223 PolarHBondContact N-O 2.81Å; V42-L224 HydrophobicContact CB-CD1 4.09Å; V42-L224 HydrophobicContact CG1-CD1 3.72Å; V42-L224 CarbonylContact O-C 3.6Å; V42-L224 WeakPolarHBondContact O-CA 3.39Å; V42-L224 WeakPolarHBondContact O-CD1 3.31Å; V42-W225 PolarHBondContact O-N 3.32Å
43A94.4Very high91.1Very high0 Ų031.8 Ų31.80%020%0.202CC..EExtended strand (participates in β ladder)trans-110.9118.9-177.500000110.9V27 V41 L194 F195 S196 W225V27-A43 HydrophobicContact CG2-CB 4.5Å; V41-A43 HydrophobicContact CG1-CB 4.01Å; A43-L194 PolarHBondContact N-O 2.87Å; A43-F195 HydrophobicContact CB-CD1 3.6Å; A43-F195 HydrophobicContact CB-CE1 3.54Å; A43-F195 HydrophobicContact CB-CG 4.36Å; A43-F195 HydrophobicContact CB-CZ 4.26Å; A43-F195 WeakPolarHBondContact O-CA 3.42Å; A43-S196 PolarHBondContact O-N 3.48Å; A43-W225 WeakPolarHBondContact CA-O 3.26Å; A43-W225 HydrophobicContact CB-CE3 4.36Å
44C91.9Very high91.1Very high0 Ų030 Ų300%019%0.19CC..EExtended strand (participates in β ladder)trans-105.6115.7172.6-61.60000109.6S196 F199 W225 Q226 P227 M230C44-S196 WeakPolarHBondContact CA-O 3.42Å; C44-F199 HydrophobicContact CB-CB 4.47Å; C44-F199 VanDerWaalsContact SG-CD2 3.53Å; C44-W225 PolarHBondContact N-O 3.5Å; C44-Q226 HydrophobicContact CB-CG 4.1Å; C44-P227 WeakPolarHBondContact O-CD 3.45Å; C44-M230 HydrophobicContact CB-SD 3.73Å
45A86.3Confident91.2Very high3 Ų328.7 Ų28.73%0.02518%0.182CC..  trans-146.6148.4-179.800000110V27 S49 K51 S196 A197 W225V27-A45 HydrophobicContact CB-CB 4.13Å; V27-A45 HydrophobicContact CG2-CB 3.99Å; A45-S49 WeakPolarHBondContact CB-OG 3.44Å; A45-K51 HydrophobicContact CB-CD 3.92Å; A45-K51 HydrophobicContact CB-CG 3.9Å; A45-K51 PolarHBondContact O-NZ 2.94Å; A45-S196 PolarHBondContact N-O 2.99Å; A45-S196 VanDerWaalsContact O-O 3.13Å; A45-A197 WeakPolarHBondContact O-CA 3.37Å; A45-W225 HydrophobicContact CB-CZ3 3.77Å
46K78.3Confident91.1Very high121 Ų12128.5 Ų28.553%0.52618%0.182SC..  trans-56.5158.9177.563.4-173176.4-171.40113.2S49 K51 V241K46-S49 WeakPolarHBondContact O-CB 3.31Å; K46-S49 PolarHBondContact O-N 2.94Å; K46-S49 PolarHBondContact O-OG 2.89Å; K46-K51 PolarHBondContact O-NZ 3.21Å; K46-V241 HydrophobicContact CD-CG1 4.34Å
47T72.4Confident91.1Very high34 Ų3426.3 Ų26.321%0.20917%0.17CC..THydrogen-bonded Turntrans-59.6140.6171.152.10000110.5S49 A197T47-S49 VanDerWaalsContact C-N 3.29Å; T47-S49 PolarHBondContact O-N 2.94Å; T47-A197 HydrophobicContact CG2-CB 4.37Å
48G73.4Confident91.2Very high74 Ų7420.2 Ų20.276%0.76314%0.142SC*.THydrogen-bonded Turntrans77.96-17800000115.1G50G48-G50 PolarHBondContact O-N 2.93Å
49S81.9Confident91.3Very high19 Ų1918.1 Ų18.113%0.13312%0.12CC..SBendtrans-75-3.1175.566.70000114.5T25 V27 A45 K46 T47 K51T25-S49 WeakPolarHBondContact CB-O 3.48Å; T25-S49 WeakPolarHBondContact CG2-O 3.44Å; T25-S49 PolarHBondContact OG1-O 3.07Å; V27-S49 WeakPolarHBondContact CG1-O 3.42Å; A45-S49 WeakPolarHBondContact CB-OG 3.44Å; K46-S49 WeakPolarHBondContact O-CB 3.31Å; K46-S49 PolarHBondContact O-N 2.94Å; K46-S49 PolarHBondContact O-OG 2.89Å; T47-S49 VanDerWaalsContact C-N 3.29Å; T47-S49 PolarHBondContact O-N 2.94Å; S49-K51 WeakPolarHBondContact OG-CG 3.44Å
50G87.4Confident91.3Very high24 Ų2417.3 Ų17.325%0.24712%0.115CC..SBendtrans89.817.5-177.700000115.6Q28 G48 T52 A53 A54Q28-G50 PolarHBondContact NE2-O 3.31Å; Q28-G50 VanDerWaalsContact NE2-O 3.09Å; G48-G50 PolarHBondContact O-N 2.93Å; G50-T52 VanDerWaalsContact C-N 3.27Å; G50-T52 PolarHBondContact O-N 2.96Å; G50-A53 PolarHBondContact O-N 3.4Å; G50-A54 PolarHBondContact O-N 3.27Å
51K92.6Very high91.3Very high17 Ų1717.8 Ų17.87%0.07412%0.117CC..Hα-helixtrans-50-42.4178.6-65.7-168.2-69.7-85.80114V27 A45 K46 S49 A53 A54 F55 F195V27-K51 HydrophobicContact CG1-CG 4.5Å; V27-K51 HydrophobicContact CG2-CG 4.35Å; A45-K51 HydrophobicContact CB-CD 3.92Å; A45-K51 HydrophobicContact CB-CG 3.9Å; A45-K51 PolarHBondContact O-NZ 2.94Å; K46-K51 PolarHBondContact O-NZ 3.21Å; S49-K51 WeakPolarHBondContact OG-CG 3.44Å; K51-A53 PolarHBondContact O-N 2.76Å; K51-A54 VanDerWaalsContact O-CB 3.27Å; K51-A54 WeakPolarHBondContact O-CB 2.94Å; K51-A54 PolarHBondContact O-N 3.48Å; K51-F55 WeakPolarHBondContact O-CD1 3.4Å; K51-F55 PolarHBondContact O-N 3.5Å; K51-F195 HydrophobicContact CB-CD1 3.81Å; K51-F195 HydrophobicContact CB-CE1 4.37Å; K51-F195 HydrophobicContact CD-CB 4.2Å; K51-F195 HydrophobicContact CD-CD1 3.95Å; K51-F195 HydrophobicContact CG-CD1 4Å
52T93.9Very high91.3Very high20 Ų2019 Ų1912%0.12313%0.125CC..Hα-helixtrans-62.8-44.9-175.5-47.90000112G50 A54 F55 L56 I85G50-T52 VanDerWaalsContact C-N 3.27Å; G50-T52 PolarHBondContact O-N 2.96Å; T52-A54 VanDerWaalsContact C-N 3.3Å; T52-A54 PolarHBondContact O-N 3.39Å; T52-F55 VanDerWaalsContact CA-CE1 3.49Å; T52-F55 HydrophobicContact CG2-CE1 4.34Å; T52-F55 HydrophobicContact CG2-CE2 4.17Å; T52-F55 HydrophobicContact CG2-CZ 3.71Å; T52-F55 PolarHBondContact O-N 2.8Å; T52-L56 HydrophobicContact CG2-CD1 3.74Å; T52-L56 HydrophobicContact CG2-CG 4.3Å; T52-L56 WeakPolarHBondContact O-CB 3.42Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.47Å; T52-I85 HydrophobicContact CG2-CB 4.48Å; T52-I85 HydrophobicContact CG2-CG1 3.99Å; T52-I85 HydrophobicContact CG2-CG2 4.33Å
53A94.6Very high91.3Very high15 Ų1518.7 Ų18.712%0.12412%0.123CC..Hα-helixtrans-66.4-33.2173.400000112.1G50 K51 F55 L56 I57 L92G50-A53 PolarHBondContact O-N 3.4Å; K51-A53 PolarHBondContact O-N 2.76Å; A53-F55 PolarHBondContact O-N 2.89Å; A53-L56 PolarHBondContact O-N 3.28Å; A53-I57 HydrophobicContact CB-CD1 4.12Å; A53-I57 WeakPolarHBondContact O-CB 3.4Å; A53-I57 WeakPolarHBondContact O-CD1 3.38Å; A53-I57 VanDerWaalsContact O-CG1 3.26Å; A53-I57 WeakPolarHBondContact O-CG1 2.9Å; A53-I57 PolarHBondContact O-N 3.33Å; A53-L92 HydrophobicContact CB-CD1 4.47Å
54A96.8Very high91.2Very high0 Ų021.7 Ų21.70%014%0.138CC..Hα-helixtrans-59.5-30.4179.600000113.5Q28 C31 I35 G50 K51 T52 P58 F195Q28-A54 HydrophobicContact CG-CB 3.84Å; C31-A54 HydrophobicContact CB-CB 4.38Å; I35-A54 WeakPolarHBondContact CD1-O 3.46Å; G50-A54 PolarHBondContact O-N 3.27Å; K51-A54 VanDerWaalsContact O-CB 3.27Å; K51-A54 WeakPolarHBondContact O-CB 2.94Å; K51-A54 PolarHBondContact O-N 3.48Å; T52-A54 VanDerWaalsContact C-N 3.3Å; T52-A54 PolarHBondContact O-N 3.39Å; A54-P58 VanDerWaalsContact O-CD 3.26Å; A54-P58 WeakPolarHBondContact O-CD 3.3Å; A54-P58 WeakPolarHBondContact O-CG 3.27Å; A54-F195 HydrophobicContact CB-CE1 4.23Å; A54-F195 HydrophobicContact CB-CZ 4.46Å
55F97.6Very high91.2Very high0 Ų027.5 Ų27.50%017%0.174CC..Hα-helixtrans-99.4-29.1172.263.7-108.7000114.4K51 T52 A53 P58 I59 I74 I85 V163 D165 L193 F195K51-F55 WeakPolarHBondContact O-CD1 3.4Å; K51-F55 PolarHBondContact O-N 3.5Å; T52-F55 VanDerWaalsContact CA-CE1 3.49Å; T52-F55 HydrophobicContact CG2-CE1 4.34Å; T52-F55 HydrophobicContact CG2-CE2 4.17Å; T52-F55 HydrophobicContact CG2-CZ 3.71Å; T52-F55 PolarHBondContact O-N 2.8Å; A53-F55 PolarHBondContact O-N 2.89Å; F55-P58 WeakPolarHBondContact O-CD 3.44Å; F55-P58 WeakPolarHBondContact O-CG 3.49Å; F55-I59 HydrophobicContact CD2-CD1 4.24Å; F55-I59 VanDerWaalsContact O-CD1 3.26Å; F55-I59 WeakPolarHBondContact O-CD1 3.38Å; F55-I59 WeakPolarHBondContact O-CG1 3.33Å; F55-I59 PolarHBondContact O-N 3.41Å; F55-I74 HydrophobicContact CD2-CD1 4.44Å; F55-I74 HydrophobicContact CE2-CD1 3.87Å; F55-I74 HydrophobicContact CE2-CG1 4.26Å; F55-I74 HydrophobicContact CE2-CG2 4.3Å; F55-I74 HydrophobicContact CZ-CG2 4.34Å; F55-I85 HydrophobicContact CE2-CG2 4.41Å; F55-I85 HydrophobicContact CZ-CG2 4.49Å; F55-V163 HydrophobicContact CB-CG2 4.48Å; F55-V163 HydrophobicContact CD1-CG1 3.89Å; F55-V163 HydrophobicContact CD2-CG1 4.13Å; F55-V163 HydrophobicContact CD2-CG2 4.17Å; F55-V163 HydrophobicContact CE1-CG1 3.96Å; F55-V163 HydrophobicContact CE2-CG1 4.25Å; F55-V163 HydrophobicContact CG-CG1 3.96Å; F55-V163 HydrophobicContact CG-CG2 4.38Å; F55-V163 HydrophobicContact CZ-CG1 4.15Å; F55-D165 HydrophobicContact CE1-CB 4.44Å; F55-L193 HydrophobicContact CB-CD1 4.03Å; F55-F195 HydrophobicContact CB-CD2 4.43Å; F55-F195 HydrophobicContact CB-CE2 3.6Å; F55-F195 HydrophobicContact CB-CZ 3.9Å; F55-F195 HydrophobicContact CD1-CD1 4.46Å; F55-F195 AromaticContact CD1-CD2 3.63Å; F55-F195 HydrophobicContact CD1-CD2 3.63Å; F55-F195 HydrophobicContact CD1-CE1 4.43Å; F55-F195 AromaticContact CD1-CE2 3.6Å; F55-F195 HydrophobicContact CD1-CE2 3.6Å; F55-F195 HydrophobicContact CD1-CG 4.08Å; F55-F195 HydrophobicContact CD1-CZ 4.01Å; F55-F195 HydrophobicContact CE1-CD2 4.32Å; F55-F195 HydrophobicContact CG-CD2 4.41Å; F55-F195 HydrophobicContact CG-CE2 4.03Å; F55-F195 HydrophobicContact CG-CZ 4.47Å
56L97.5Very high91.6Very high0 Ų029.4 Ų29.40%018%0.183CC..Hα-helixtrans-69.3-41.6179.8-75.6177.6000112.3T52 A53 I59 L60 I74 Q88 A89 L92T52-L56 HydrophobicContact CG2-CD1 3.74Å; T52-L56 HydrophobicContact CG2-CG 4.3Å; T52-L56 WeakPolarHBondContact O-CB 3.42Å; T52-L56 VanDerWaalsContact O-CG 3.29Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.47Å; A53-L56 PolarHBondContact O-N 3.28Å; L56-I59 PolarHBondContact O-N 3.27Å; L56-L60 WeakPolarHBondContact O-CB 2.99Å; L56-L60 VanDerWaalsContact O-CG 3.31Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 3.22Å; L56-I74 HydrophobicContact CD2-CD1 3.82Å; L56-Q88 HydrophobicContact CD1-CB 4.11Å; L56-A89 HydrophobicContact CD1-CB 4.08Å; L56-A89 HydrophobicContact CD2-CB 3.88Å; L56-L92 HydrophobicContact CB-CD1 4.04Å; L56-L92 HydrophobicContact CD1-CD1 4.07Å
57I97.1Very high92.3Very high0 Ų028.1 Ų28.10%018%0.181CC..Hα-helixtrans-54.1-55.9179-70.8165.6000111.5F3 V8 I12 L16 I32 A53 I59 L60 Q61F3-I57 HydrophobicContact CD1-CD1 4.33Å; F3-I57 HydrophobicContact CE1-CD1 3.79Å; V8-I57 HydrophobicContact CB-CG2 4.43Å; V8-I57 HydrophobicContact CG1-CG2 3.79Å; V8-I57 HydrophobicContact CG2-CG2 3.71Å; I12-I57 HydrophobicContact CG2-CG1 4.46Å; I12-I57 HydrophobicContact CG2-CG2 4.22Å; L16-I57 HydrophobicContact CD1-CD1 3.9Å; L16-I57 HydrophobicContact CD1-CG1 4.49Å; L16-I57 HydrophobicContact CD2-CD1 4.24Å; I32-I57 HydrophobicContact CD1-CB 4.41Å; I32-I57 HydrophobicContact CD1-CD1 3.86Å; I32-I57 HydrophobicContact CD1-CG2 4.34Å; A53-I57 HydrophobicContact CB-CD1 4.12Å; A53-I57 WeakPolarHBondContact O-CB 3.4Å; A53-I57 WeakPolarHBondContact O-CD1 3.38Å; A53-I57 VanDerWaalsContact O-CG1 3.26Å; A53-I57 WeakPolarHBondContact O-CG1 2.9Å; A53-I57 PolarHBondContact O-N 3.33Å; I57-I59 VanDerWaalsContact C-N 3.34Å; I57-I59 PolarHBondContact O-N 3.14Å; I57-L60 PolarHBondContact O-N 2.9Å; I57-Q61 PolarHBondContact O-N 2.9Å
58P97.7Very high93.4Very high2 Ų231.5 Ų31.51%0.01319%0.193CC..Hα-helixtrans-67.2-31.2-179.824.5-34.8000113.8I35 L36 A54 F55 S62I35-P58 HydrophobicContact CB-CB 4.04Å; I35-P58 HydrophobicContact CB-CG 3.81Å; I35-P58 HydrophobicContact CD1-CG 4.25Å; I35-P58 HydrophobicContact CG2-CB 3.58Å; I35-P58 HydrophobicContact CG2-CG 3.39Å; L36-P58 HydrophobicContact CD2-CB 3.59Å; L36-P58 HydrophobicContact CG-CB 3.9Å; A54-P58 VanDerWaalsContact O-CD 3.26Å; A54-P58 WeakPolarHBondContact O-CD 3.3Å; A54-P58 WeakPolarHBondContact O-CG 3.27Å; F55-P58 WeakPolarHBondContact O-CD 3.44Å; F55-P58 WeakPolarHBondContact O-CG 3.49Å; P58-S62 WeakPolarHBondContact O-CB 3.46Å; P58-S62 PolarHBondContact O-N 2.8Å; P58-S62 PolarHBondContact O-OG 3.39Å
59I97.6Very high94.5Very high1 Ų130.9 Ų30.91%0.00518%0.175CC..Hα-helixtrans-64.3-46.6174.3-70.1169.4000110.7F55 L56 I57 S62 L63 A72 I125 V161 V163F55-I59 HydrophobicContact CD2-CD1 4.24Å; F55-I59 VanDerWaalsContact O-CD1 3.26Å; F55-I59 WeakPolarHBondContact O-CD1 3.38Å; F55-I59 WeakPolarHBondContact O-CG1 3.33Å; F55-I59 PolarHBondContact O-N 3.41Å; L56-I59 PolarHBondContact O-N 3.27Å; I57-I59 VanDerWaalsContact C-N 3.34Å; I57-I59 PolarHBondContact O-N 3.14Å; I59-S62 PolarHBondContact O-N 3.38Å; I59-L63 HydrophobicContact CG2-CD1 4.09Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 2.96Å; I59-A72 HydrophobicContact CD1-CB 4.2Å; I59-A72 HydrophobicContact CG2-CB 3.69Å; I59-I125 HydrophobicContact CG2-CD1 3.94Å; I59-I125 HydrophobicContact CG2-CG1 4.3Å; I59-V161 HydrophobicContact CD1-CG1 4.02Å; I59-V161 HydrophobicContact CG1-CG1 4.03Å; I59-V163 HydrophobicContact CD1-CG2 3.84Å
60L96.6Very high95.2Very high1 Ų130.5 Ų30.51%0.00517%0.172CC..Hα-helixtrans-64.4-44.9178.6-72.1165.9000111.1I12 L56 I57 S62 L63 M64 L92 N93 L100 I125I12-L60 HydrophobicContact CD1-CB 4.27Å; L56-L60 WeakPolarHBondContact O-CB 2.99Å; L56-L60 VanDerWaalsContact O-CG 3.31Å; L56-L60 WeakPolarHBondContact O-CG 3.41Å; L56-L60 PolarHBondContact O-N 3.22Å; I57-L60 PolarHBondContact O-N 2.9Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 3.45Å; L60-L63 WeakPolarHBondContact O-CB 3.22Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-L63 VanDerWaalsContact O-N 3.07Å; L60-M64 WeakPolarHBondContact O-CG 3.42Å; L60-M64 PolarHBondContact O-N 3.35Å; L60-L92 HydrophobicContact CD1-CB 3.54Å; L60-L92 WeakPolarHBondContact CD1-O 3.46Å; L60-N93 HydrophobicContact CD2-CB 4.09Å; L60-L100 HydrophobicContact CD2-CD2 4.34Å; L60-L100 WeakPolarHBondContact O-CD2 3.12Å; L60-I125 HydrophobicContact CD2-CD1 4.15Å
61Q96.4Very high95.7Very high35 Ų3530.2 Ų30.216%0.16416%0.163CC..Hα-helixtrans-59-39.9175-174.2161.6-43.600112G7 V8 C9 I12 L36 I57 M64G7-Q61 PolarHBondContact O-NE2 3.1Å; V8-Q61 VanDerWaalsContact CA-OE1 3.25Å; C9-Q61 HydrophobicContact CB-CG 4.49Å; I12-Q61 HydrophobicContact CD1-CB 3.76Å; L36-Q61 HydrophobicContact CD2-CB 4.13Å; L36-Q61 HydrophobicContact CD2-CG 4.15Å; I57-Q61 PolarHBondContact O-N 2.9Å; Q61-M64 WeakPolarHBondContact O-CB 3.42Å; Q61-M64 PolarHBondContact O-N 2.74Å
62S96.1Very high95.9Very high26 Ų2629.5 Ų29.518%0.18216%0.16CC..Hα-helixtrans-65.4-39.6175.4-56.50000111.8P58 I59 L60 M64 T65 E66 Y71P58-S62 WeakPolarHBondContact O-CB 3.46Å; P58-S62 PolarHBondContact O-N 2.8Å; P58-S62 PolarHBondContact O-OG 3.39Å; I59-S62 PolarHBondContact O-N 3.38Å; L60-S62 VanDerWaalsContact C-N 3.27Å; L60-S62 PolarHBondContact O-N 3.45Å; S62-M64 VanDerWaalsContact C-N 3.29Å; S62-M64 PolarHBondContact O-N 3.26Å; S62-T65 PolarHBondContact O-N 3.19Å; S62-T65 VanDerWaalsContact O-N 3.08Å; S62-T65 PolarHBondContact O-OG1 2.88Å; S62-E66 PolarHBondContact O-N 3.47Å; S62-Y71 VanDerWaalsContact CB-OH 3.25Å; S62-Y71 WeakPolarHBondContact CB-OH 3.38Å
63L95.9Very high96.2Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-66.8-25.9175.9-77168.6000113.6I59 L60 T65 E66 L67 Y71 L100 C101 H124 I125I59-L63 HydrophobicContact CG2-CD1 4.09Å; I59-L63 WeakPolarHBondContact O-CG 3.36Å; I59-L63 PolarHBondContact O-N 2.96Å; L60-L63 WeakPolarHBondContact O-CB 3.22Å; L60-L63 PolarHBondContact O-N 2.91Å; L60-L63 VanDerWaalsContact O-N 3.07Å; L63-T65 PolarHBondContact O-N 3.15Å; L63-E66 CarbonylContact O-C 3.43Å; L63-L67 HydrophobicContact CD2-CD1 4.35Å; L63-L67 PolarHBondContact O-N 3.29Å; L63-Y71 HydrophobicContact CD2-CD1 4.03Å; L63-Y71 HydrophobicContact CD2-CD2 3.99Å; L63-Y71 HydrophobicContact CD2-CG 3.61Å; L63-Y71 HydrophobicContact CG-CD1 4.13Å; L63-Y71 HydrophobicContact CG-CG 4.23Å; L63-L100 HydrophobicContact CB-CD2 4.23Å; L63-C101 HydrophobicContact CD1-CB 4.32Å; L63-H124 HydrophobicContact CD1-CB 4.32Å; L63-H124 HydrophobicContact CD2-CB 4.1Å; L63-I125 HydrophobicContact CD1-CD1 3.82Å; L63-I125 HydrophobicContact CD1-CG1 3.71Å
64M93.7Very high96.3Very high63 Ų6327.9 Ų27.931%0.3115%0.149SC..Hα-helixtrans-64.7-30.2170.7-65.5175.668.400112E11 I12 L60 Q61 S62 I95 L100E11-M64 HydrophobicContact CB-CE 4.01Å; E11-M64 HydrophobicContact CG-CE 4.09Å; I12-M64 HydrophobicContact CD1-SD 3.91Å; I12-M64 HydrophobicContact CG1-SD 4.02Å; L60-M64 WeakPolarHBondContact O-CG 3.42Å; L60-M64 PolarHBondContact O-N 3.35Å; Q61-M64 WeakPolarHBondContact O-CB 3.42Å; Q61-M64 PolarHBondContact O-N 2.74Å; S62-M64 VanDerWaalsContact C-N 3.29Å; S62-M64 PolarHBondContact O-N 3.26Å; M64-I95 HydrophobicContact CE-CG2 4.31Å; M64-L100 HydrophobicContact CB-CD2 4.49Å; M64-L100 HydrophobicContact CG-CD1 3.9Å; M64-L100 HydrophobicContact CG-CD2 3.42Å; M64-L100 VanDerWaalsContact CG-CD2 3.42Å; M64-L100 HydrophobicContact CG-CG 4.3Å
65T92.2Very high96.4Very high123 Ų12328 Ų2876%0.75515%0.149SC*.Hα-helixtrans-90.9-32176.6660000113.2S62 L63S62-T65 PolarHBondContact O-N 3.19Å; S62-T65 VanDerWaalsContact O-N 3.08Å; S62-T65 PolarHBondContact O-OG1 2.88Å; L63-T65 PolarHBondContact O-N 3.15Å
66E93.1Very high96.3Very high43 Ų4328 Ų2820%0.20115%0.149CC..  trans-141.878.9-173.4-169.7-176.8-165.800111.2S62 L63 K68 Y71 K160S62-E66 PolarHBondContact O-N 3.47Å; L63-E66 CarbonylContact O-C 3.43Å; E66-K68 HydrophobicContact CG-CD 3.74Å; E66-K68 HydrophobicContact CG-CG 3.94Å; E66-K68 PolarHBondContact O-N 2.76Å; E66-K68 VanDerWaalsContact OE1-CD 3.28Å; E66-K68 WeakPolarHBondContact OE1-CD 3.48Å; E66-K68 WeakPolarHBondContact OE1-CE 3.4Å; E66-K68 IonicContact OE1-NZ 3.64Å; E66-K68 PolarHBondContact OE1-NZ 2.85Å; E66-Y71 HydrophobicContact CB-CE2 4.46Å; E66-K160 VanDerWaalsContact OE1-CE 3.31Å; E66-K160 WeakPolarHBondContact OE1-CE 3.3Å; E66-K160 IonicContact OE1-NZ 2.59Å; E66-K160 PolarHBondContact OE1-NZ 2.72Å; E66-K160 WeakPolarHBondContact OE2-CE 3.49Å; E66-K160 IonicContact OE2-NZ 3.89Å; E66-K160 PolarHBondContact OE2-NZ 2.96Å
67L94.5Very high96Very high94 Ų9428.5 Ų28.549%0.49215%0.153SC..  trans-73.491.7177.6-167.867.4000110.5L63 C101 H124L63-L67 HydrophobicContact CD2-CD1 4.35Å; L63-L67 PolarHBondContact O-N 3.29Å; L67-C101 HydrophobicContact CD1-CB 3.81Å; L67-H124 VanDerWaalsContact CD1-CD2 3.42Å; L67-H124 WeakPolarHBondContact CD1-CD2 3.27Å
68K95Very high95.5Very high104 Ų10428.8 Ų28.845%0.45215%0.154SC..  trans-120142.9178.3-74.4-178.7179.9174.10112.3E66 Y71 H124E66-K68 HydrophobicContact CG-CD 3.74Å; E66-K68 HydrophobicContact CG-CG 3.94Å; E66-K68 PolarHBondContact O-N 2.76Å; E66-K68 VanDerWaalsContact OE1-CD 3.28Å; E66-K68 WeakPolarHBondContact OE1-CD 3.48Å; E66-K68 WeakPolarHBondContact OE1-CE 3.4Å; E66-K68 IonicContact OE1-NZ 3.64Å; E66-K68 PolarHBondContact OE1-NZ 2.85Å; K68-Y71 HydrophobicContact CB-CD2 4.41Å; K68-Y71 WeakPolarHBondContact O-CB 3.29Å; K68-H124 PolarHBondContact O-CD2 2.82Å
69P95.8Very high94.9Very high62 Ų6233.7 Ų33.740%0.40317%0.173SC..THydrogen-bonded Turntrans-55.6144.2170-29.237.5000112.8Y71P69-Y71 PolarHBondContact O-N 3.04Å; P69-Y71 VanDerWaalsContact O-N 3.15Å
70L96.5Very high94.1Very high10 Ų1034.2 Ų34.25%0.05218%0.175CC..THydrogen-bonded Turntrans52.334.4175.7-60.7164.9000112.5L119 P123 H124 V126 W154 T155 T159L70-L119 HydrophobicContact CD2-CD2 3.97Å; L70-P123 WeakPolarHBondContact CA-O 3.26Å; L70-P123 HydrophobicContact CD2-CG 4.17Å; L70-P123 PolarHBondContact N-O 3.24Å; L70-H124 CarbonylContact C-O 3.57Å; L70-V126 HydrophobicContact CD2-CG2 3.54Å; L70-W154 HydrophobicContact CD1-CB 4.27Å; L70-T155 VanDerWaalsContact CD1-O 3.23Å; L70-T155 WeakPolarHBondContact CD1-O 3.46Å; L70-T159 VanDerWaalsContact O-CA 3.28Å; L70-T159 WeakPolarHBondContact O-CA 3.37Å; L70-T159 PolarHBondContact O-OG1 3.48Å
71Y97.9Very high93.7Very high19 Ų1934.4 Ų34.48%0.07518%0.176CC..  trans-60.8-46.4-178-174-84.6000112.2S62 L63 E66 K68 P69 H124 K160 V161S62-Y71 VanDerWaalsContact CB-OH 3.25Å; S62-Y71 WeakPolarHBondContact CB-OH 3.38Å; L63-Y71 HydrophobicContact CD2-CD1 4.03Å; L63-Y71 HydrophobicContact CD2-CD2 3.99Å; L63-Y71 HydrophobicContact CD2-CG 3.61Å; L63-Y71 HydrophobicContact CG-CD1 4.13Å; L63-Y71 HydrophobicContact CG-CG 4.23Å; E66-Y71 HydrophobicContact CB-CE2 4.46Å; K68-Y71 HydrophobicContact CB-CD2 4.41Å; K68-Y71 WeakPolarHBondContact O-CB 3.29Å; P69-Y71 PolarHBondContact O-N 3.04Å; P69-Y71 VanDerWaalsContact O-N 3.15Å; Y71-H124 PolarHBondContact N-O 3.32Å; Y71-K160 HydrophobicContact CD2-CB 4.38Å; Y71-K160 HydrophobicContact CD2-CD 4.31Å; Y71-K160 HydrophobicContact CD2-CG 4.4Å; Y71-K160 HydrophobicContact CE1-CB 4.3Å; Y71-K160 HydrophobicContact CE2-CB 4.12Å; Y71-K160 HydrophobicContact CE2-CD 3.7Å; Y71-K160 HydrophobicContact CE2-CG 4.19Å; Y71-K160 PolarHBondContact O-N 2.79Å; Y71-V161 HydrophobicContact CD1-CG2 4.34Å; Y71-V161 HydrophobicContact CE1-CG2 3.66Å; Y71-V161 PolarHBondContact O-N 2.79Å; Y71-V161 VanDerWaalsContact O-N 3.07Å
72A98.2Very high93.5Very high1 Ų132.8 Ų32.81%0.00817%0.168CC..EExtended strand (participates in β ladder)trans-123.2134.9-177.300000112.4I59 H124 I125 V126 V161I59-A72 HydrophobicContact CD1-CB 4.2Å; I59-A72 HydrophobicContact CG2-CB 3.69Å; A72-H124 PolarHBondContact N-O 3.47Å; A72-H124 VanDerWaalsContact N-O 3.1Å; A72-I125 HydrophobicContact CB-CG1 4.35Å; A72-I125 HydrophobicContact CB-CG2 4.48Å; A72-I125 WeakPolarHBondContact O-CA 3.26Å; A72-V126 PolarHBondContact O-N 2.98Å; A72-V161 CarbonylContact C-O 3.49Å; A72-V161 VanDerWaalsContact CA-O 3.31Å; A72-V161 WeakPolarHBondContact CA-O 3.43Å; A72-V161 HydrophobicContact CB-CB 4.3Å
73L98.6Very high93.2Very high1 Ų133.3 Ų33.31%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-117.2117.9171173.562.7000110I75 V126 L133 L156 T159 V161 V162 V163 I182 L186L73-I75 HydrophobicContact CD1-CG1 4.33Å; L73-I75 HydrophobicContact CD2-CD1 4.05Å; L73-I75 HydrophobicContact CD2-CG1 4.15Å; L73-I75 HydrophobicContact CG-CD1 4.37Å; L73-I75 HydrophobicContact CG-CG1 3.93Å; L73-V126 CarbonylContact C-O 3.59Å; L73-V126 WeakPolarHBondContact CA-O 3.39Å; L73-V126 HydrophobicContact CD1-CB 4.06Å; L73-V126 HydrophobicContact CD1-CG1 3.87Å; L73-L133 HydrophobicContact CD1-CD2 3.62Å; L73-L133 HydrophobicContact CD2-CD2 3.74Å; L73-L133 HydrophobicContact CG-CD2 4.32Å; L73-L156 HydrophobicContact CD2-CD1 4.21Å; L73-T159 HydrophobicContact CB-CG2 3.91Å; L73-V161 PolarHBondContact N-O 3.24Å; L73-V162 HydrophobicContact CB-CG2 4.44Å; L73-V162 CarbonylContact O-C 3.52Å; L73-V162 VanDerWaalsContact O-CA 3.31Å; L73-V162 WeakPolarHBondContact O-CA 3.39Å; L73-V163 PolarHBondContact O-N 2.85Å; L73-I182 HydrophobicContact CD2-CG2 3.88Å; L73-L186 HydrophobicContact CD2-CD1 4.29Å; L73-L186 HydrophobicContact CD2-CD2 4.09Å
74I98.5Very high92.8Very high0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-106.9116.4176.2-57.7158.3000108.7F55 L56 I85 I125 V126 V127 S128 V163F55-I74 HydrophobicContact CD2-CD1 4.44Å; F55-I74 HydrophobicContact CE2-CD1 3.87Å; F55-I74 HydrophobicContact CE2-CG1 4.26Å; F55-I74 HydrophobicContact CE2-CG2 4.3Å; F55-I74 HydrophobicContact CZ-CG2 4.34Å; L56-I74 HydrophobicContact CD2-CD1 3.82Å; I74-I85 HydrophobicContact CD1-CG2 3.99Å; I74-I85 HydrophobicContact CG2-CD1 4.02Å; I74-I85 HydrophobicContact CG2-CG2 4.14Å; I74-I125 HydrophobicContact CD1-CG2 3.78Å; I74-V126 PolarHBondContact N-O 2.78Å; I74-V127 HydrophobicContact CB-CG1 4.31Å; I74-V127 HydrophobicContact CB-CG2 4.34Å; I74-V127 HydrophobicContact CD1-CG2 4.07Å; I74-V127 HydrophobicContact CG2-CG1 4.31Å; I74-V127 CarbonylContact O-C 3.52Å; I74-V127 WeakPolarHBondContact O-CA 3.14Å; I74-S128 PolarHBondContact O-N 3.32Å; I74-V163 HydrophobicContact CB-CB 4.25Å; I74-V163 HydrophobicContact CG1-CB 3.92Å; I74-V163 HydrophobicContact CG1-CG2 3.93Å; I74-V163 HydrophobicContact CG2-CB 4.1Å; I74-V163 HydrophobicContact CG2-CG1 4.32Å
75I98.2Very high92.8Very high2 Ų231.8 Ų31.81%0.0116%0.16CC..EExtended strand (participates in β ladder)trans-103.9133.8-179.8-53.6-179.5000109L73 S128 P130 V163 L164 D165 L170 L179 I182L73-I75 HydrophobicContact CD1-CG1 4.33Å; L73-I75 HydrophobicContact CD2-CD1 4.05Å; L73-I75 HydrophobicContact CD2-CG1 4.15Å; L73-I75 HydrophobicContact CG-CD1 4.37Å; L73-I75 HydrophobicContact CG-CG1 3.93Å; I75-S128 WeakPolarHBondContact CA-O 3.25Å; I75-P130 HydrophobicContact CG2-CB 4.42Å; I75-P130 HydrophobicContact CG2-CG 3.59Å; I75-V163 PolarHBondContact N-O 3.43Å; I75-L164 HydrophobicContact CB-CD2 3.87Å; I75-L164 HydrophobicContact CD1-CD2 3.86Å; I75-L164 HydrophobicContact CG1-CD2 4.21Å; I75-L164 HydrophobicContact CG2-CD2 4.46Å; I75-D165 PolarHBondContact O-N 3.17Å; I75-L170 HydrophobicContact CG2-CD1 4.19Å; I75-L170 HydrophobicContact CG2-CD2 4.04Å; I75-L179 HydrophobicContact CD1-CD2 4.29Å; I75-L179 HydrophobicContact CG2-CD2 4.01Å; I75-I182 HydrophobicContact CD1-CD1 4.34Å; I75-I182 HydrophobicContact CD1-CG2 3.81Å
76T95.4Very high92.9Very high0 Ų026.2 Ų26.20%013%0.127CC..  trans-146.1146.5-176.9179.10000111.7T78 L81 A82 I85 V127 S128 T129 P130T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 3.42Å; T76-L81 HydrophobicContact CG2-CB 4.31Å; T76-L81 HydrophobicContact CG2-CG 4.45Å; T76-L81 VanDerWaalsContact OG1-CB 3.23Å; T76-L81 WeakPolarHBondContact OG1-CB 3.04Å; T76-L81 WeakPolarHBondContact OG1-CD2 3.35Å; T76-L81 WeakPolarHBondContact OG1-CG 3.45Å; T76-A82 HydrophobicContact CG2-CB 3.55Å; T76-I85 HydrophobicContact CG2-CD1 4.32Å; T76-V127 HydrophobicContact CG2-CG1 4.37Å; T76-S128 PolarHBondContact N-O 3.44Å; T76-T129 WeakPolarHBondContact O-CA 3.31Å; T76-P130 VanDerWaalsContact O-CD 3.26Å; T76-P130 WeakPolarHBondContact O-CD 3.36Å
77P91.1Very high92.8Very high11 Ų1130.5 Ų30.57%0.07115%0.147CC..SBendtrans-71.5-19.2-168.426-36.4000114.6D165 E166 R169 L170 F175P77-D165 VanDerWaalsContact CD-O 3.26Å; P77-D165 WeakPolarHBondContact CD-O 3.25Å; P77-E166 HydrophobicContact CG-CB 3.77Å; P77-E166 WeakPolarHBondContact CG-OE2 3.26Å; P77-R169 HydrophobicContact CB-CB 4.14Å; P77-R169 HydrophobicContact CG-CB 4.03Å; P77-L170 HydrophobicContact CB-CD2 4.03Å; P77-L170 HydrophobicContact CB-CG 4.47Å; P77-F175 HydrophobicContact CB-CE2 3.83Å; P77-F175 HydrophobicContact CB-CZ 4.2Å
78T85.8Confident92.6Very high6 Ų629.3 Ų29.34%0.03714%0.139CC..SBendtrans-128.6151.5-17371.20000112.4T76 E80 L81 A82 T129 L332 R335T76-T78 VanDerWaalsContact C-N 3.3Å; T76-T78 PolarHBondContact O-N 3.42Å; T78-E80 PolarHBondContact O-N 3.11Å; T78-L81 PolarHBondContact O-N 2.88Å; T78-L81 VanDerWaalsContact OG1-CB 3.31Å; T78-L81 WeakPolarHBondContact OG1-CB 3.28Å; T78-L81 PolarHBondContact OG1-N 3.2Å; T78-A82 PolarHBondContact O-N 2.8Å; T78-A82 VanDerWaalsContact O-N 3.1Å; T78-T129 VanDerWaalsContact C-CG2 3.43Å; T78-L332 HydrophobicContact CG2-CD1 4.1Å; T78-R335 HydrophobicContact CG2-CB 4.13Å
79R86.1Confident92.6Very high105 Ų10524.4 Ų24.440%0.39612%0.118SC..Hα-helixtrans-66.9-28.7178.9-47.9-177.7-178.8168.2-1.8111.5A82 H83 T107 G108 T129R79-A82 PolarHBondContact O-N 3.45Å; R79-H83 PolarHBondContact O-CD2 2.83Å; R79-H83 PolarHBondContact O-N 2.65Å; R79-T107 HydrophobicContact CB-CG2 3.88Å; R79-T107 HydrophobicContact CG-CG2 4.26Å; R79-G108 VanDerWaalsContact CD-O 3.23Å; R79-G108 WeakPolarHBondContact CD-O 3.37Å; R79-G108 PolarHBondContact NE-O 2.74Å; R79-G108 VanDerWaalsContact NE-O 3.08Å; R79-G108 PolarHBondContact NH1-O 3.15Å; R79-G108 VanDerWaalsContact NH2-C 3.31Å; R79-T129 HydrophobicContact CG-CG2 4.11Å
80E81.6Confident92.3Very high12 Ų1223.7 Ų23.76%0.05612%0.117CC..Hα-helixtrans-70.3-49.3-178.3-6868.5-11300110.2T78 A82 H83 Q84 R312 G336 L337T78-E80 PolarHBondContact O-N 3.11Å; E80-A82 VanDerWaalsContact C-N 3.26Å; E80-A82 PolarHBondContact O-N 3.49Å; E80-H83 PolarHBondContact O-N 3.18Å; E80-Q84 PolarHBondContact O-N 3.29Å; E80-R312 IonicContact OE1-CZ 3.33Å; E80-R312 IonicContact OE1-NH1 2.79Å; E80-R312 PolarHBondContact OE1-NH1 2.82Å; E80-R312 IonicContact OE1-NH2 3.39Å; E80-R312 PolarHBondContact OE1-NH2 3.32Å; E80-R312 VanDerWaalsContact OE1-NH2 3.15Å; E80-R312 IonicContact OE2-CZ 2.9Å; E80-R312 IonicContact OE2-NH1 3.7Å; E80-R312 IonicContact OE2-NH2 3.92Å; E80-R312 PolarHBondContact OE2-NH2 3.37Å; E80-G336 CarbonylContact C-O 3.47Å; E80-L337 HydrophobicContact CB-CD1 4.45Å; E80-L337 HydrophobicContact CB-CD2 3.65Å; E80-L337 HydrophobicContact CB-CG 3.78Å; E80-L337 HydrophobicContact CG-CD1 4.17Å; E80-L337 HydrophobicContact CG-CD2 3.89Å; E80-L337 HydrophobicContact CG-CG 4.02Å
81L87Confident92Very high6 Ų624.1 Ų24.13%0.03112%0.124CC..Hα-helixtrans-60.9-39.9174.4-168.841.8000110.9T76 T78 H83 Q84 I85 E166 G336T76-L81 HydrophobicContact CG2-CB 4.31Å; T76-L81 HydrophobicContact CG2-CG 4.45Å; T76-L81 VanDerWaalsContact OG1-CB 3.23Å; T76-L81 WeakPolarHBondContact OG1-CB 3.04Å; T76-L81 WeakPolarHBondContact OG1-CD2 3.35Å; T76-L81 WeakPolarHBondContact OG1-CG 3.45Å; T78-L81 PolarHBondContact O-N 2.88Å; T78-L81 VanDerWaalsContact OG1-CB 3.31Å; T78-L81 WeakPolarHBondContact OG1-CB 3.28Å; T78-L81 PolarHBondContact OG1-N 3.2Å; L81-H83 VanDerWaalsContact C-N 3.34Å; L81-H83 PolarHBondContact O-N 3.06Å; L81-Q84 PolarHBondContact O-N 3.46Å; L81-I85 HydrophobicContact CD1-CD1 3.94Å; L81-I85 HydrophobicContact CD1-CG1 3.91Å; L81-I85 HydrophobicContact CG-CD1 3.84Å; L81-I85 HydrophobicContact CG-CG1 4.31Å; L81-I85 WeakPolarHBondContact O-CB 3.43Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.29Å; L81-I85 PolarHBondContact O-N 3.24Å; L81-E166 HydrophobicContact CD2-CB 4.36Å; L81-E166 VanDerWaalsContact CD2-CD 3.46Å; L81-E166 HydrophobicContact CD2-CG 3.59Å; L81-G336 WeakPolarHBondContact CA-O 3.3Å; L81-G336 PolarHBondContact N-O 3.23Å
82A92.6Very high91.6Very high0 Ų023.9 Ų23.90%012%0.124CC..Hα-helixtrans-60.2-43.6176.100000112.2T76 T78 R79 E80 G86 V105 T107 V127T76-A82 HydrophobicContact CG2-CB 3.55Å; T78-A82 PolarHBondContact O-N 2.8Å; T78-A82 VanDerWaalsContact O-N 3.1Å; R79-A82 PolarHBondContact O-N 3.45Å; E80-A82 VanDerWaalsContact C-N 3.26Å; E80-A82 PolarHBondContact O-N 3.49Å; A82-G86 PolarHBondContact O-N 3.3Å; A82-V105 HydrophobicContact CB-CG1 4Å; A82-T107 HydrophobicContact CB-CG2 3.57Å; A82-V127 HydrophobicContact CB-CG1 3.98Å; A82-V127 WeakPolarHBondContact O-CG1 3.34Å
83H89.6Confident91.2Very high38 Ų3824.1 Ų24.118%0.17613%0.125CC..Hα-helixtrans-66.8-42174.8-80.5-60.7000112.2R79 E80 L81 G86 E87 R110R79-H83 PolarHBondContact O-CD2 2.83Å; R79-H83 PolarHBondContact O-N 2.65Å; E80-H83 PolarHBondContact O-N 3.18Å; L81-H83 VanDerWaalsContact C-N 3.34Å; L81-H83 PolarHBondContact O-N 3.06Å; H83-G86 PolarHBondContact O-N 2.99Å; H83-E87 WeakPolarHBondContact O-CG 3.47Å; H83-E87 PolarHBondContact O-N 3.45Å; H83-R110 PolarHBondContact CE1-NH2 3.45Å; H83-R110 VanDerWaalsContact CE1-NH2 3.31Å
84Q87Confident90.9Very high31 Ų3127.6 Ų27.615%0.14514%0.143CC..Hα-helixtrans-61.7-46.5177.1-178.6-179.1-2900111.7E80 L81 G86 E87 Q88 G336 L337E80-Q84 PolarHBondContact O-N 3.29Å; L81-Q84 PolarHBondContact O-N 3.46Å; Q84-G86 VanDerWaalsContact C-N 3.3Å; Q84-G86 PolarHBondContact O-N 3.21Å; Q84-E87 PolarHBondContact O-N 3.34Å; Q84-Q88 WeakPolarHBondContact O-CG 3.26Å; Q84-Q88 PolarHBondContact O-N 3Å; Q84-G336 PolarHBondContact OE1-O 3.09Å; Q84-L337 VanDerWaalsContact OE1-C 3.25Å
85I93.8Very high90.3Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-62.9-41.2175.9-65.8166.6000109.8T52 F55 I74 T76 L81 Q88 A89 V127 D165T52-I85 HydrophobicContact CG2-CB 4.48Å; T52-I85 HydrophobicContact CG2-CG1 3.99Å; T52-I85 HydrophobicContact CG2-CG2 4.33Å; F55-I85 HydrophobicContact CE2-CG2 4.41Å; F55-I85 HydrophobicContact CZ-CG2 4.49Å; I74-I85 HydrophobicContact CD1-CG2 3.99Å; I74-I85 HydrophobicContact CG2-CD1 4.02Å; I74-I85 HydrophobicContact CG2-CG2 4.14Å; T76-I85 HydrophobicContact CG2-CD1 4.32Å; L81-I85 HydrophobicContact CD1-CD1 3.94Å; L81-I85 HydrophobicContact CD1-CG1 3.91Å; L81-I85 HydrophobicContact CG-CD1 3.84Å; L81-I85 HydrophobicContact CG-CG1 4.31Å; L81-I85 WeakPolarHBondContact O-CB 3.43Å; L81-I85 VanDerWaalsContact O-CG1 3.27Å; L81-I85 WeakPolarHBondContact O-CG1 3.29Å; L81-I85 PolarHBondContact O-N 3.24Å; I85-Q88 PolarHBondContact O-N 2.9Å; I85-A89 VanDerWaalsContact O-CB 3.26Å; I85-A89 WeakPolarHBondContact O-CB 3.4Å; I85-A89 PolarHBondContact O-N 3.28Å; I85-V127 HydrophobicContact CB-CG1 3.93Å; I85-V127 HydrophobicContact CD1-CG1 4.43Å; I85-V127 HydrophobicContact CG2-CG1 3.9Å; I85-V127 HydrophobicContact CG2-CG2 3.87Å; I85-D165 HydrophobicContact CD1-CB 4.27Å; I85-D165 WeakPolarHBondContact CD1-OD2 3.44Å
86G94Very high89.6Confident6 Ų636 Ų366%0.06218%0.183CC..Hα-helixtrans-60.1-43.3175.600000113.3A82 H83 Q84 A89 A90A82-G86 PolarHBondContact O-N 3.3Å; H83-G86 PolarHBondContact O-N 2.99Å; Q84-G86 VanDerWaalsContact C-N 3.3Å; Q84-G86 PolarHBondContact O-N 3.21Å; G86-A89 PolarHBondContact O-N 2.86Å; G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 2.99Å
87E91Very high89Confident133 Ų13338.8 Ų38.862%0.62121%0.212SC*.Hα-helixtrans-64.9-43.2174.7-73.3175.6169.200111.8H83 Q84 A90 G91H83-E87 WeakPolarHBondContact O-CG 3.47Å; H83-E87 PolarHBondContact O-N 3.45Å; Q84-E87 PolarHBondContact O-N 3.34Å; E87-A90 PolarHBondContact O-N 3.1Å; E87-G91 PolarHBondContact O-N 2.93Å
88Q91.6Very high88.9Confident69 Ų6945 Ų4532%0.32224%0.24SC..Hα-helixtrans-65.6-41.3176.7-73.4-171.6-13.300112L56 Q84 I85 G91 L92L56-Q88 HydrophobicContact CD1-CB 4.11Å; Q84-Q88 WeakPolarHBondContact O-CG 3.26Å; Q84-Q88 PolarHBondContact O-N 3Å; I85-Q88 PolarHBondContact O-N 2.9Å; Q88-G91 PolarHBondContact O-N 3.07Å; Q88-L92 WeakPolarHBondContact O-CB 3.5Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 3.15Å
89A94.4Very high89.2Confident0 Ų048.2 Ų48.20%026%0.261CS..Hα-helixtrans-62.2-48.5174.200000110.7L56 I85 G86 G91 L92 N93 V103L56-A89 HydrophobicContact CD1-CB 4.08Å; L56-A89 HydrophobicContact CD2-CB 3.88Å; I85-A89 VanDerWaalsContact O-CB 3.26Å; I85-A89 WeakPolarHBondContact O-CB 3.4Å; I85-A89 PolarHBondContact O-N 3.28Å; G86-A89 PolarHBondContact O-N 2.86Å; A89-G91 VanDerWaalsContact C-N 3.29Å; A89-G91 PolarHBondContact O-N 2.97Å; A89-L92 PolarHBondContact O-N 3.43Å; A89-N93 WeakPolarHBondContact O-CB 3.05Å; A89-N93 PolarHBondContact O-N 2.81Å; A89-V103 HydrophobicContact CB-CG1 4.02Å; A89-V103 HydrophobicContact CB-CG2 4.03Å
90A90Very high89.5Confident47 Ų4745.3 Ų45.339%0.38825%0.253SS..Hα-helixtrans-58.8-40.2176.100000112.3G86 E87 N93G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 2.99Å; E87-A90 PolarHBondContact O-N 3.1Å; A90-N93 PolarHBondContact O-N 2.89Å
91G88.7Confident90.1Very high20 Ų2045 Ų4521%0.20625%0.252CS..Hα-helixtrans-67.8-41.7177.200000113.6K19 E87 Q88 A89 N93K19-G91 VanDerWaalsContact CE-C 3.46Å; K19-G91 WeakPolarHBondContact CE-O 3.35Å; K19-G91 PolarHBondContact NZ-O 2.89Å; E87-G91 PolarHBondContact O-N 2.93Å; Q88-G91 PolarHBondContact O-N 3.07Å; A89-G91 VanDerWaalsContact C-N 3.29Å; A89-G91 PolarHBondContact O-N 2.97Å; G91-N93 VanDerWaalsContact C-N 3.25Å
92L91.2Very high90.6Very high13 Ų1349.3 Ų49.37%0.06828%0.275CS..Hα-helixtrans-78-9.7176.9-68.9174.7000113.2L15 L16 K19 A53 L56 L60 Q88 A89L15-L92 HydrophobicContact CD2-CB 4.49Å; L15-L92 HydrophobicContact CD2-CD2 4.5Å; L15-L92 WeakPolarHBondContact CD2-O 3.4Å; L16-L92 HydrophobicContact CD2-CD2 3.72Å; K19-L92 HydrophobicContact CD-CD2 4.21Å; A53-L92 HydrophobicContact CB-CD1 4.47Å; L56-L92 HydrophobicContact CB-CD1 4.04Å; L56-L92 HydrophobicContact CD1-CD1 4.07Å; L60-L92 HydrophobicContact CD1-CB 3.54Å; L60-L92 WeakPolarHBondContact CD1-O 3.46Å; Q88-L92 WeakPolarHBondContact O-CB 3.5Å; Q88-L92 WeakPolarHBondContact O-CG 3.49Å; Q88-L92 PolarHBondContact O-N 3.15Å; A89-L92 PolarHBondContact O-N 3.43Å
93N90.1Very high90.8Very high6 Ų651.2 Ų51.23%0.03229%0.287CS..THydrogen-bonded Turntrans-88.8-4.8-179.8177.566.5000113.5L60 A89 A90 G91 I95 P99 L100 C101L60-N93 HydrophobicContact CD2-CB 4.09Å; A89-N93 WeakPolarHBondContact O-CB 3.05Å; A89-N93 PolarHBondContact O-N 2.81Å; A90-N93 PolarHBondContact O-N 2.89Å; G91-N93 VanDerWaalsContact C-N 3.25Å; N93-I95 VanDerWaalsContact C-N 3.31Å; N93-I95 PolarHBondContact O-N 3.49Å; N93-P99 WeakPolarHBondContact ND2-CB 3.4Å; N93-P99 WeakPolarHBondContact O-CA 3.45Å; N93-L100 PolarHBondContact O-N 2.9Å; N93-L100 WeakPolarHBondContact OD1-CB 3.41Å; N93-L100 PolarHBondContact OD1-N 3.41Å; N93-C101 PolarHBondContact ND2-O 3.37Å; N93-C101 PolarHBondContact OD1-N 2.95Å; N93-C101 PolarHBondContact OD1-O 3.35Å; N93-C101 PolarHBondContact OD1-SG 3.27Å
94L90.9Very high91.1Very high74 Ų7450.6 Ų50.639%0.38729%0.285SS..EExtended strand (participates in β ladder)trans-82.272.3179.7-64.3175.3000111.2L15 Q96 E98L15-L94 HydrophobicContact CD1-CB 4.47Å; L15-L94 WeakPolarHBondContact CD1-O 3.27Å; L94-Q96 PolarHBondContact O-N 2.8Å; L94-E98 CarbonylContact C-O 3.53Å; L94-E98 WeakPolarHBondContact CA-O 3.49Å
95I86.4Confident91.6Very high19 Ų1950.3 Ų50.310%0.09729%0.285CS..EExtended strand (participates in β ladder)trans-80.5119179.3-54.3-60.7000108.4E11 I12 L15 M64 N93 G97 E98 L100E11-I95 HydrophobicContact CB-CG2 3.73Å; E11-I95 HydrophobicContact CG-CG2 4.39Å; I12-I95 HydrophobicContact CG1-CD1 3.79Å; L15-I95 HydrophobicContact CD2-CD1 4.04Å; M64-I95 HydrophobicContact CE-CG2 4.31Å; N93-I95 VanDerWaalsContact C-N 3.31Å; N93-I95 PolarHBondContact O-N 3.49Å; I95-G97 PolarHBondContact O-N 2.85Å; I95-E98 PolarHBondContact N-O 2.88Å; I95-E98 PolarHBondContact O-N 3.2Å; I95-E98 VanDerWaalsContact O-O 3.12Å; I95-L100 HydrophobicContact CG1-CB 3.96Å; I95-L100 HydrophobicContact CG1-CD2 4.33Å
96Q84.2Confident91.8Very high161 Ų16150.3 Ų50.375%0.75229%0.285SS*.THydrogen-bonded Turntrans54.634.1-177.1-60.4178.9-3300113.8L94 E98L94-Q96 PolarHBondContact O-N 2.8Å; Q96-E98 VanDerWaalsContact C-N 3.33Å; Q96-E98 PolarHBondContact O-N 3.35Å
97G82.5Confident91.8Very high58 Ų5850.1 Ų50.160%0.59828%0.282SS*.THydrogen-bonded Turntrans87.9-11.2177.600000115.3I95I95-G97 PolarHBondContact O-N 2.85Å
98E88.6Confident91.6Very high141 Ų14144.2 Ų44.266%0.65926%0.258SS*.EExtended strand (participates in β ladder)trans-112145.6-179.2-68.2-63.8152.100111.6L94 I95 Q96 L100L94-E98 CarbonylContact C-O 3.53Å; L94-E98 WeakPolarHBondContact CA-O 3.49Å; I95-E98 PolarHBondContact N-O 2.88Å; I95-E98 PolarHBondContact O-N 3.2Å; I95-E98 VanDerWaalsContact O-O 3.12Å; Q96-E98 VanDerWaalsContact C-N 3.33Å; Q96-E98 PolarHBondContact O-N 3.35Å; E98-L100 PolarHBondContact O-N 2.72Å
99P91.2Very high91.2Very high74 Ų7444 Ų4448%0.48127%0.273SS..EExtended strand (participates in β ladder)trans-69.8115.6175.927.9-31.7000110.7N93 C101N93-P99 WeakPolarHBondContact ND2-CB 3.4Å; N93-P99 WeakPolarHBondContact O-CA 3.45Å; P99-C101 VanDerWaalsContact C-N 3.3Å; P99-C101 PolarHBondContact O-N 3.04Å
100L93.3Very high90.8Very high44 Ų4450.9 Ų50.923%0.2330%0.299CS..SBendtrans-58.5-41.6175.5167.570.6000112L60 L63 M64 N93 I95 E98L60-L100 HydrophobicContact CD2-CD2 4.34Å; L60-L100 WeakPolarHBondContact O-CD2 3.12Å; L63-L100 HydrophobicContact CB-CD2 4.23Å; M64-L100 HydrophobicContact CB-CD2 4.49Å; M64-L100 HydrophobicContact CG-CD1 3.9Å; M64-L100 HydrophobicContact CG-CD2 3.42Å; M64-L100 VanDerWaalsContact CG-CD2 3.42Å; M64-L100 HydrophobicContact CG-CG 4.3Å; N93-L100 PolarHBondContact O-N 2.9Å; N93-L100 WeakPolarHBondContact OD1-CB 3.41Å; N93-L100 PolarHBondContact OD1-N 3.41Å; I95-L100 HydrophobicContact CG1-CB 3.96Å; I95-L100 HydrophobicContact CG1-CD2 4.33Å; E98-L100 PolarHBondContact O-N 2.72Å
101C95.3Very high90.8Very high5 Ų551.3 Ų51.33%0.03430%0.299CS..SBendtrans-146.3160.3-174.380.50000113.6L63 L67 N93 P99 H124L63-C101 HydrophobicContact CD1-CB 4.32Å; L67-C101 HydrophobicContact CD1-CB 3.81Å; N93-C101 PolarHBondContact ND2-O 3.37Å; N93-C101 PolarHBondContact OD1-N 2.95Å; N93-C101 PolarHBondContact OD1-O 3.35Å; N93-C101 PolarHBondContact OD1-SG 3.27Å; P99-C101 VanDerWaalsContact C-N 3.3Å; P99-C101 PolarHBondContact O-N 3.04Å; C101-H124 HydrophobicContact CB-CB 3.77Å
102N96Very high90.9Very high97 Ų9752.5 Ų52.552%0.51930%0.301SS..  trans-80.5127.7170.9-65.2-36.3000112.4P123 H124 I125N102-P123 HydrophobicContact CB-CB 4.41Å; N102-H124 PolarHBondContact N-ND1 3.35Å; N102-H124 PolarHBondContact O-N 3.26Å; N102-I125 PolarHBondContact O-N 3.49Å
103V96.8Very high91Very high40 Ų4056.1 Ų56.124%0.24232%0.323CS..EExtended strand (participates in β ladder)trans-109.7126.5173.7-175.50000109.8A89 I125 V127A89-V103 HydrophobicContact CB-CG1 4.02Å; A89-V103 HydrophobicContact CB-CG2 4.03Å; V103-I125 CarbonylContact C-O 3.54Å; V103-I125 WeakPolarHBondContact CA-O 3.38Å; V103-I125 HydrophobicContact CG1-CB 4.33Å; V103-I125 HydrophobicContact CG1-CG2 4.35Å; V103-I125 HydrophobicContact CG2-CB 4.24Å; V103-I125 HydrophobicContact CG2-CD1 4.37Å; V103-V127 HydrophobicContact CG1-CG2 4.3Å
104L97.3Very high91.2Very high25 Ų2561.7 Ų61.713%0.13135%0.349CS..EExtended strand (participates in β ladder)trans-115.9130.5177.4-179.362.9000111.4I106 D118 L119 P123 I125 V126 V127L104-I106 HydrophobicContact CD2-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CG1 3.97Å; L104-I106 HydrophobicContact CG-CD1 4.31Å; L104-I106 HydrophobicContact CG-CG1 3.9Å; L104-D118 HydrophobicContact CD1-CB 3.72Å; L104-D118 HydrophobicContact CD2-CB 3.78Å; L104-D118 HydrophobicContact CG-CB 4.43Å; L104-L119 HydrophobicContact CD2-CD2 4.03Å; L104-L119 HydrophobicContact CD2-CG 3.93Å; L104-P123 HydrophobicContact CB-CB 3.67Å; L104-P123 HydrophobicContact CB-CG 3.77Å; L104-P123 HydrophobicContact CD2-CG 3.84Å; L104-P123 HydrophobicContact CG-CG 4.47Å; L104-I125 PolarHBondContact N-O 2.71Å; L104-V126 CarbonylContact O-C 3.58Å; L104-V126 WeakPolarHBondContact O-CA 3.43Å; L104-V127 PolarHBondContact O-N 3.43Å
105V97.3Very high91.4Very high24 Ų2458.4 Ų58.415%0.14533%0.331CS..EExtended strand (participates in β ladder)trans-103.8120.3175.4-179.60000110.8A82 T107 V127A82-V105 HydrophobicContact CB-CG1 4Å; V105-T107 HydrophobicContact CG1-CG2 3.85Å; V105-V127 CarbonylContact C-O 3.59Å; V105-V127 WeakPolarHBondContact CA-O 3.19Å; V105-V127 HydrophobicContact CG2-CB 4.36Å
106I96.9Very high91.8Very high0 Ų059 Ų590%034%0.338CS..EExtended strand (participates in β ladder)trans-115.4106.7-173.8-62.7-173.3000110.4L104 L119 V126 V127 S128 T129 R132 L136L104-I106 HydrophobicContact CD2-CD1 3.87Å; L104-I106 HydrophobicContact CD2-CG1 3.97Å; L104-I106 HydrophobicContact CG-CD1 4.31Å; L104-I106 HydrophobicContact CG-CG1 3.9Å; I106-L119 HydrophobicContact CD1-CD1 3.47Å; I106-L119 VanDerWaalsContact CD1-CD1 3.47Å; I106-L119 HydrophobicContact CD1-CD2 3.48Å; I106-L119 VanDerWaalsContact CD1-CD2 3.48Å; I106-L119 HydrophobicContact CD1-CG 3.4Å; I106-L119 VanDerWaalsContact CD1-CG 3.4Å; I106-V126 HydrophobicContact CD1-CG1 3.61Å; I106-V126 HydrophobicContact CG1-CG1 4.07Å; I106-V127 PolarHBondContact N-O 3.23Å; I106-S128 WeakPolarHBondContact CB-OG 3.41Å; I106-S128 VanDerWaalsContact CG2-OG 3.32Å; I106-S128 WeakPolarHBondContact CG2-OG 3.4Å; I106-S128 WeakPolarHBondContact O-CA 3.1Å; I106-S128 WeakPolarHBondContact O-CB 3.45Å; I106-S128 PolarHBondContact O-OG 2.93Å; I106-T129 PolarHBondContact O-N 3.34Å; I106-T129 VanDerWaalsContact O-N 3.17Å; I106-R132 HydrophobicContact CG2-CB 4.36Å; I106-R132 HydrophobicContact CG2-CG 3.62Å; I106-L136 HydrophobicContact CD1-CD1 4.35Å; I106-L136 HydrophobicContact CG2-CD1 3.47Å; I106-L136 VanDerWaalsContact CG2-CD1 3.47Å
107T94.3Very high92.3Very high2 Ų255.1 Ų55.11%0.01232%0.321CS..  trans-139.8158.1-175.363.80000112.5R79 A82 V105 Q115 T129R79-T107 HydrophobicContact CB-CG2 3.88Å; R79-T107 HydrophobicContact CG-CG2 4.26Å; A82-T107 HydrophobicContact CB-CG2 3.57Å; V105-T107 HydrophobicContact CG1-CG2 3.85Å; T107-Q115 PolarHBondContact O-NE2 3.02Å; T107-Q115 PolarHBondContact O-OE1 3.44Å; T107-T129 HydrophobicContact CG2-CG2 4.13Å
108G87.7Confident92.9Very high10 Ų1055 Ų5510%0.10331%0.306CS..THydrogen-bonded Turntrans-60.8162.3173.700000112.8R79 R110R79-G108 VanDerWaalsContact CD-O 3.23Å; R79-G108 WeakPolarHBondContact CD-O 3.37Å; R79-G108 PolarHBondContact NE-O 2.74Å; R79-G108 VanDerWaalsContact NE-O 3.08Å; R79-G108 PolarHBondContact NH1-O 3.15Å; R79-G108 VanDerWaalsContact NH2-C 3.31Å; G108-R110 VanDerWaalsContact C-N 3.27Å; G108-R110 PolarHBondContact O-N 3.43Å
109G83Confident93.3Very high63 Ų6348.2 Ų48.265%0.64928%0.275SS*.THydrogen-bonded Turntrans82.7-2.9175.600000115.3
110R84.7Confident93.5Very high145 Ų14546.3 Ų46.355%0.54727%0.265SS..SBendtrans-103.9167.4163.5-63.8-176.6-178.5-149.8-2110.3H83 G108 I112 R132H83-R110 PolarHBondContact CE1-NH2 3.45Å; H83-R110 VanDerWaalsContact CE1-NH2 3.31Å; G108-R110 VanDerWaalsContact C-N 3.27Å; G108-R110 PolarHBondContact O-N 3.43Å; R110-I112 PolarHBondContact O-N 2.86Å; R110-R132 PolarHBondContact O-NH1 3.27Å; R110-R132 PolarHBondContact O-NH2 3.1Å
111S90.7Very high93.6Very high56 Ų5652.8 Ų52.839%0.39229%0.287SS..  trans-57.5135.7174.1176.30000110.3V113 H114 Q115S111-V113 PolarHBondContact OG-N 2.99Å; S111-H114 PolarHBondContact OG-N 2.9Å; S111-Q115 PolarHBondContact O-N 3.16Å; S111-Q115 PolarHBondContact O-NE2 3.3Å; S111-Q115 VanDerWaalsContact O-NE2 3.1Å
112I91.7Very high93.6Very high45 Ų4554.9 Ų54.923%0.23130%0.302CS..Hα-helixtrans-72-40.6174.3-168.4172.1000110.4R110 H114 Q115 S116 D135 L136 T139R110-I112 PolarHBondContact O-N 2.86Å; I112-H114 PolarHBondContact O-N 3.31Å; I112-Q115 PolarHBondContact O-N 3.43Å; I112-S116 PolarHBondContact O-N 2.88Å; I112-D135 HydrophobicContact CD1-CB 4.32Å; I112-L136 HydrophobicContact CD1-CD2 4.29Å; I112-L136 HydrophobicContact CD1-CG 4.48Å; I112-L136 HydrophobicContact CG1-CD2 3.49Å; I112-L136 VanDerWaalsContact CG1-CD2 3.49Å; I112-L136 HydrophobicContact CG1-CG 4Å; I112-T139 WeakPolarHBondContact CD1-OG1 3.4Å
113V92Very high93.6Very high90 Ų9050.6 Ų50.655%0.54528%0.279SS..Hα-helixtrans-60.4-48.1179.71800000111S111 Q115 S116 I117S111-V113 PolarHBondContact OG-N 2.99Å; V113-Q115 VanDerWaalsContact C-N 3.32Å; V113-Q115 PolarHBondContact O-N 3.41Å; V113-S116 WeakPolarHBondContact O-CB 3.39Å; V113-S116 PolarHBondContact O-N 3.11Å; V113-S116 VanDerWaalsContact O-N 3.14Å; V113-I117 HydrophobicContact CG1-CD1 4.16Å; V113-I117 WeakPolarHBondContact O-CG1 3.41Å; V113-I117 PolarHBondContact O-N 2.95Å
114H94.2Very high93.7Very high123 Ų12349.7 Ų49.757%0.56927%0.272SS*.Hα-helixtrans-63.2-40.4179-70.6-160.5000111.7S111 I112 S116 I117 D118S111-H114 PolarHBondContact OG-N 2.9Å; I112-H114 PolarHBondContact O-N 3.31Å; H114-S116 VanDerWaalsContact C-N 3.29Å; H114-S116 PolarHBondContact O-N 3.44Å; H114-I117 PolarHBondContact O-N 3.45Å; H114-D118 VanDerWaalsContact O-CG 3.3Å; H114-D118 PolarHBondContact O-N 3.48Å
115Q95.7Very high93.7Very high4 Ų448.5 Ų48.52%0.01927%0.266CS..Hα-helixtrans-67-30.6176.7-79.2175.680.800112.7T107 S111 I112 V113 L119 L136T107-Q115 PolarHBondContact O-NE2 3.02Å; T107-Q115 PolarHBondContact O-OE1 3.44Å; S111-Q115 PolarHBondContact O-N 3.16Å; S111-Q115 PolarHBondContact O-NE2 3.3Å; S111-Q115 VanDerWaalsContact O-NE2 3.1Å; I112-Q115 PolarHBondContact O-N 3.43Å; V113-Q115 VanDerWaalsContact C-N 3.32Å; V113-Q115 PolarHBondContact O-N 3.41Å; Q115-L119 PolarHBondContact O-N 3.05Å; Q115-L136 HydrophobicContact CB-CD1 4.23Å; Q115-L136 HydrophobicContact CB-CD2 4.44Å
116S94Very high93.8Very high33 Ų3347.4 Ų47.423%0.23126%0.259CS..Hα-helixtrans-65.7-45.2171.5-165.30000111.2I112 V113 H114 D118 L119 A120I112-S116 PolarHBondContact O-N 2.88Å; V113-S116 WeakPolarHBondContact O-CB 3.39Å; V113-S116 PolarHBondContact O-N 3.11Å; V113-S116 VanDerWaalsContact O-N 3.14Å; H114-S116 VanDerWaalsContact C-N 3.29Å; H114-S116 PolarHBondContact O-N 3.44Å; S116-D118 VanDerWaalsContact C-N 3.33Å; S116-D118 PolarHBondContact O-N 2.88Å; S116-L119 WeakPolarHBondContact O-CB 3.3Å; S116-L119 PolarHBondContact O-N 2.71Å; S116-A120 PolarHBondContact O-N 2.84Å
117I94.9Very high93.8Very high79 Ų7947.4 Ų47.441%0.40526%0.259SS..Hα-helixtrans-61.4-43175.8-64.5165.9000110.7V113 H114 L119 A120 R121V113-I117 HydrophobicContact CG1-CD1 4.16Å; V113-I117 WeakPolarHBondContact O-CG1 3.41Å; V113-I117 PolarHBondContact O-N 2.95Å; H114-I117 PolarHBondContact O-N 3.45Å; I117-L119 VanDerWaalsContact C-N 3.3Å; I117-L119 PolarHBondContact O-N 2.92Å; I117-A120 WeakPolarHBondContact O-CB 3.44Å; I117-A120 PolarHBondContact O-N 2.79Å; I117-R121 WeakPolarHBondContact O-CG 3.42Å; I117-R121 PolarHBondContact O-N 2.83Å; I117-R121 VanDerWaalsContact O-N 3.15Å
118D96.1Very high94Very high54 Ų5447.3 Ų47.329%0.28926%0.259SS..Hα-helixtrans-64.7-34.3177.8-69.3-30.5000112.1L104 H114 S116 R121L104-D118 HydrophobicContact CD1-CB 3.72Å; L104-D118 HydrophobicContact CD2-CB 3.78Å; L104-D118 HydrophobicContact CG-CB 4.43Å; H114-D118 VanDerWaalsContact O-CG 3.3Å; H114-D118 PolarHBondContact O-N 3.48Å; S116-D118 VanDerWaalsContact C-N 3.33Å; S116-D118 PolarHBondContact O-N 2.88Å; D118-R121 WeakPolarHBondContact O-CB 3.06Å; D118-R121 PolarHBondContact O-N 2.78Å; D118-R121 IonicContact OD1-NH1 3.55Å
119L96.2Very high94.4Very high0 Ų047.5 Ų47.50%026%0.257CS..Hα-helixtrans-67.9-40.1172-85.9169.2000112.4L70 L104 I106 Q115 S116 I117 R121 S122 P123 V126 L136 W154L70-L119 HydrophobicContact CD2-CD2 3.97Å; L104-L119 HydrophobicContact CD2-CD2 4.03Å; L104-L119 HydrophobicContact CD2-CG 3.93Å; I106-L119 HydrophobicContact CD1-CD1 3.47Å; I106-L119 VanDerWaalsContact CD1-CD1 3.47Å; I106-L119 HydrophobicContact CD1-CD2 3.48Å; I106-L119 VanDerWaalsContact CD1-CD2 3.48Å; I106-L119 HydrophobicContact CD1-CG 3.4Å; I106-L119 VanDerWaalsContact CD1-CG 3.4Å; Q115-L119 PolarHBondContact O-N 3.05Å; S116-L119 WeakPolarHBondContact O-CB 3.3Å; S116-L119 PolarHBondContact O-N 2.71Å; I117-L119 VanDerWaalsContact C-N 3.3Å; I117-L119 PolarHBondContact O-N 2.92Å; L119-R121 PolarHBondContact O-N 2.96Å; L119-S122 PolarHBondContact O-N 2.8Å; L119-P123 HydrophobicContact CD2-CG 4.45Å; L119-P123 WeakPolarHBondContact O-CD 3.41Å; L119-V126 HydrophobicContact CD2-CG2 3.92Å; L119-L136 HydrophobicContact CD1-CD1 3.91Å; L119-W154 HydrophobicContact CB-CB 4.29Å; L119-W154 HydrophobicContact CB-CD2 3.91Å; L119-W154 HydrophobicContact CB-CG 3.69Å; L119-W154 HydrophobicContact CD1-CD2 3.78Å; L119-W154 HydrophobicContact CD1-CE3 4.01Å; L119-W154 HydrophobicContact CD1-CG 4.44Å; L119-W154 HydrophobicContact CD1-CH2 3.85Å; L119-W154 HydrophobicContact CD1-CZ2 3.62Å; L119-W154 HydrophobicContact CD1-CZ3 4.03Å; L119-W154 HydrophobicContact CD2-CD2 4.5Å; L119-W154 HydrophobicContact CD2-CE3 4.39Å; L119-W154 HydrophobicContact CG-CD2 4.3Å
120A94.8Very high95.1Very high34 Ų3444.5 Ų44.528%0.28123%0.227SC..Hα-helixtrans-61.7-27176.200000112.3S116 I117 S122 E153S116-A120 PolarHBondContact O-N 2.84Å; I117-A120 WeakPolarHBondContact O-CB 3.44Å; I117-A120 PolarHBondContact O-N 2.79Å; A120-S122 PolarHBondContact O-N 2.81Å; A120-S122 PolarHBondContact O-OG 2.73Å; A120-E153 HydrophobicContact CB-CB 3.82Å
121R96Very high95.6Very high180 Ų18038.9 Ų38.968%0.67921%0.214SC*.THydrogen-bonded Turntrans-68.86.6170.1-66.6174.4176-178.9-5.7114.4I117 D118 L119I117-R121 WeakPolarHBondContact O-CG 3.42Å; I117-R121 PolarHBondContact O-N 2.83Å; I117-R121 VanDerWaalsContact O-N 3.15Å; D118-R121 WeakPolarHBondContact O-CB 3.06Å; D118-R121 PolarHBondContact O-N 2.78Å; D118-R121 IonicContact OD1-NH1 3.55Å; L119-R121 PolarHBondContact O-N 2.96Å
122S94.8Very high95.9Very high49 Ų4937.9 Ų37.934%0.34320%0.201SC..  trans59.654.2167.1-690000113.9L119 A120L119-S122 PolarHBondContact O-N 2.8Å; A120-S122 PolarHBondContact O-N 2.81Å; A120-S122 PolarHBondContact O-OG 2.73Å
123P97.2Very high96.1Very high6 Ų635.7 Ų35.74%0.03919%0.19CC..  trans-62.4157.5173.532.3-37.7000110.6L70 N102 L104 L119 V126L70-P123 WeakPolarHBondContact CA-O 3.26Å; L70-P123 HydrophobicContact CD2-CG 4.17Å; L70-P123 PolarHBondContact N-O 3.24Å; N102-P123 HydrophobicContact CB-CB 4.41Å; L104-P123 HydrophobicContact CB-CB 3.67Å; L104-P123 HydrophobicContact CB-CG 3.77Å; L104-P123 HydrophobicContact CD2-CG 3.84Å; L104-P123 HydrophobicContact CG-CG 4.47Å; L119-P123 HydrophobicContact CD2-CG 4.45Å; L119-P123 WeakPolarHBondContact O-CD 3.41Å; P123-V126 HydrophobicContact CG-CG2 3.81Å
124H97.7Very high96.4Very high22 Ų2231.4 Ų31.410%0.10216%0.164CC..SBendtrans-91.7-38.5-177.7-51.684.6000111.6L63 L67 K68 L70 Y71 A72 C101 N102L63-H124 HydrophobicContact CD1-CB 4.32Å; L63-H124 HydrophobicContact CD2-CB 4.1Å; L67-H124 VanDerWaalsContact CD1-CD2 3.42Å; L67-H124 WeakPolarHBondContact CD1-CD2 3.27Å; K68-H124 PolarHBondContact O-CD2 2.82Å; L70-H124 CarbonylContact C-O 3.57Å; Y71-H124 PolarHBondContact N-O 3.32Å; A72-H124 PolarHBondContact N-O 3.47Å; A72-H124 VanDerWaalsContact N-O 3.1Å; C101-H124 HydrophobicContact CB-CB 3.77Å; N102-H124 PolarHBondContact N-ND1 3.35Å; N102-H124 PolarHBondContact O-N 3.26Å
125I98.1Very high96.5Very high0 Ų029 Ų290%016%0.156CC..EExtended strand (participates in β ladder)trans-115.9125.1175.2-55.7-179.8000108.6I59 L60 L63 A72 I74 N102 V103 L104 V127I59-I125 HydrophobicContact CG2-CD1 3.94Å; I59-I125 HydrophobicContact CG2-CG1 4.3Å; L60-I125 HydrophobicContact CD2-CD1 4.15Å; L63-I125 HydrophobicContact CD1-CD1 3.82Å; L63-I125 HydrophobicContact CD1-CG1 3.71Å; A72-I125 HydrophobicContact CB-CG1 4.35Å; A72-I125 HydrophobicContact CB-CG2 4.48Å; A72-I125 WeakPolarHBondContact O-CA 3.26Å; I74-I125 HydrophobicContact CD1-CG2 3.78Å; N102-I125 PolarHBondContact O-N 3.49Å; V103-I125 CarbonylContact C-O 3.54Å; V103-I125 WeakPolarHBondContact CA-O 3.38Å; V103-I125 HydrophobicContact CG1-CB 4.33Å; V103-I125 HydrophobicContact CG1-CG2 4.35Å; V103-I125 HydrophobicContact CG2-CB 4.24Å; V103-I125 HydrophobicContact CG2-CD1 4.37Å; L104-I125 PolarHBondContact N-O 2.71Å; I125-V127 HydrophobicContact CG2-CG2 4.3Å
126V98.3Very high96.5Very high1 Ų129 Ų291%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-109.8123.8171.61770000109L70 A72 L73 I74 L104 I106 L119 P123L70-V126 HydrophobicContact CD2-CG2 3.54Å; A72-V126 PolarHBondContact O-N 2.98Å; L73-V126 CarbonylContact C-O 3.59Å; L73-V126 WeakPolarHBondContact CA-O 3.39Å; L73-V126 HydrophobicContact CD1-CB 4.06Å; L73-V126 HydrophobicContact CD1-CG1 3.87Å; I74-V126 PolarHBondContact N-O 2.78Å; L104-V126 CarbonylContact O-C 3.58Å; L104-V126 WeakPolarHBondContact O-CA 3.43Å; I106-V126 HydrophobicContact CD1-CG1 3.61Å; I106-V126 HydrophobicContact CG1-CG1 4.07Å; L119-V126 HydrophobicContact CD2-CG2 3.92Å; P123-V126 HydrophobicContact CG-CG2 3.81Å
127V98.3Very high96.6Very high0 Ų028 Ų280%015%0.148CC..EExtended strand (participates in β ladder)trans-107.8123.5171.6-170.70000108.5I74 T76 A82 I85 V103 L104 V105 I106 I125I74-V127 HydrophobicContact CB-CG1 4.31Å; I74-V127 HydrophobicContact CB-CG2 4.34Å; I74-V127 HydrophobicContact CD1-CG2 4.07Å; I74-V127 HydrophobicContact CG2-CG1 4.31Å; I74-V127 CarbonylContact O-C 3.52Å; I74-V127 WeakPolarHBondContact O-CA 3.14Å; T76-V127 HydrophobicContact CG2-CG1 4.37Å; A82-V127 HydrophobicContact CB-CG1 3.98Å; A82-V127 WeakPolarHBondContact O-CG1 3.34Å; I85-V127 HydrophobicContact CB-CG1 3.93Å; I85-V127 HydrophobicContact CD1-CG1 4.43Å; I85-V127 HydrophobicContact CG2-CG1 3.9Å; I85-V127 HydrophobicContact CG2-CG2 3.87Å; V103-V127 HydrophobicContact CG1-CG2 4.3Å; L104-V127 PolarHBondContact O-N 3.43Å; V105-V127 CarbonylContact C-O 3.59Å; V105-V127 WeakPolarHBondContact CA-O 3.19Å; V105-V127 HydrophobicContact CG2-CB 4.36Å; I106-V127 PolarHBondContact N-O 3.23Å; I125-V127 HydrophobicContact CG2-CG2 4.3Å
128S97.9Very high96.6Very high0 Ų029.4 Ų29.40%015%0.148CC..EExtended strand (participates in β ladder)trans-144.3153.5-172.2-162.80000116I74 I75 T76 I106 L133I74-S128 PolarHBondContact O-N 3.32Å; I75-S128 WeakPolarHBondContact CA-O 3.25Å; T76-S128 PolarHBondContact N-O 3.44Å; I106-S128 WeakPolarHBondContact CB-OG 3.41Å; I106-S128 VanDerWaalsContact CG2-OG 3.32Å; I106-S128 WeakPolarHBondContact CG2-OG 3.4Å; I106-S128 WeakPolarHBondContact O-CA 3.1Å; I106-S128 WeakPolarHBondContact O-CB 3.45Å; I106-S128 PolarHBondContact O-OG 2.93Å; S128-L133 WeakPolarHBondContact OG-CB 3.2Å
129T96.2Very high96.4Very high13 Ų1330.2 Ų30.28%0.0816%0.155CC..  trans-84.3137.516255.90000111.1T76 T78 R79 I106 T107 G131 R132 L133T76-T129 WeakPolarHBondContact O-CA 3.31Å; T78-T129 VanDerWaalsContact C-CG2 3.43Å; R79-T129 HydrophobicContact CG-CG2 4.11Å; I106-T129 PolarHBondContact O-N 3.34Å; I106-T129 VanDerWaalsContact O-N 3.17Å; T107-T129 HydrophobicContact CG2-CG2 4.13Å; T129-G131 PolarHBondContact O-N 2.84Å; T129-R132 PolarHBondContact O-N 2.86Å; T129-R132 VanDerWaalsContact O-N 3.14Å; T129-L133 PolarHBondContact O-N 3.48Å
130P97Very high96.1Very high0 Ų031.7 Ų31.70%016%0.162CC..Hα-helixtrans-49.6-51.8-175.2-24.827.1000113.5I75 T76 R132 L133 A134 L170 F175 D178 L179 I182I75-P130 HydrophobicContact CG2-CB 4.42Å; I75-P130 HydrophobicContact CG2-CG 3.59Å; T76-P130 VanDerWaalsContact O-CD 3.26Å; T76-P130 WeakPolarHBondContact O-CD 3.36Å; P130-R132 VanDerWaalsContact C-N 3.32Å; P130-R132 PolarHBondContact O-N 3.22Å; P130-L133 PolarHBondContact O-N 2.95Å; P130-A134 WeakPolarHBondContact O-CB 3.31Å; P130-A134 PolarHBondContact O-N 3.42Å; P130-L170 HydrophobicContact CG-CD2 3.53Å; P130-F175 HydrophobicContact CB-CB 4.25Å; P130-F175 HydrophobicContact CB-CD1 3.98Å; P130-F175 HydrophobicContact CB-CG 4.33Å; P130-F175 HydrophobicContact CG-CB 4.23Å; P130-F175 HydrophobicContact CG-CD1 3.92Å; P130-F175 HydrophobicContact CG-CE1 4.44Å; P130-F175 HydrophobicContact CG-CG 4.04Å; P130-D178 HydrophobicContact CB-CB 3.96Å; P130-L179 HydrophobicContact CB-CD2 4.15Å; P130-L179 HydrophobicContact CB-CG 4.34Å; P130-L179 HydrophobicContact CG-CD2 4.07Å; P130-L179 HydrophobicContact CG-CG 4.48Å; P130-I182 HydrophobicContact CB-CD1 4.17Å
131G95.6Very high95.8Very high27 Ų2733.1 Ų33.128%0.27817%0.167SC..Hα-helixtrans-61.9-34.6-175.100000114.5T129 D135 D178T129-G131 PolarHBondContact O-N 2.84Å; G131-D135 VanDerWaalsContact O-CB 3.28Å; G131-D135 WeakPolarHBondContact O-CB 3.27Å; G131-D135 PolarHBondContact O-N 3.21Å; G131-D135 VanDerWaalsContact O-N 3.09Å; G131-D178 WeakPolarHBondContact CA-OD2 3.41Å
132R96.4Very high95.5Very high35 Ų3527 Ų2713%0.13216%0.155CC..Hα-helixtrans-75.2-41.9177.217853.461.7116.7-6111.8I106 R110 T129 P130 A134 D135 L136I106-R132 HydrophobicContact CG2-CB 4.36Å; I106-R132 HydrophobicContact CG2-CG 3.62Å; R110-R132 PolarHBondContact O-NH1 3.27Å; R110-R132 PolarHBondContact O-NH2 3.1Å; T129-R132 PolarHBondContact O-N 2.86Å; T129-R132 VanDerWaalsContact O-N 3.14Å; P130-R132 VanDerWaalsContact C-N 3.32Å; P130-R132 PolarHBondContact O-N 3.22Å; R132-A134 VanDerWaalsContact C-N 3.34Å; R132-D135 PolarHBondContact O-N 3.46Å; R132-L136 HydrophobicContact CG-CD1 4.22Å; R132-L136 PolarHBondContact O-N 2.84Å
133L97.6Very high95.2Very high0 Ų026.5 Ų26.50%015%0.154CC..Hα-helixtrans-65.6-40.5177.9-174.858.5000111.5L73 S128 T129 P130 D135 L136 L137 W154 L156 I182L73-L133 HydrophobicContact CD1-CD2 3.62Å; L73-L133 HydrophobicContact CD2-CD2 3.74Å; L73-L133 HydrophobicContact CG-CD2 4.32Å; S128-L133 WeakPolarHBondContact OG-CB 3.2Å; T129-L133 PolarHBondContact O-N 3.48Å; P130-L133 PolarHBondContact O-N 2.95Å; L133-D135 VanDerWaalsContact C-N 3.35Å; L133-D135 PolarHBondContact O-N 3.21Å; L133-L136 PolarHBondContact O-N 3.05Å; L133-L137 HydrophobicContact CG-CD1 4.37Å; L133-L137 WeakPolarHBondContact O-CG 3.43Å; L133-L137 PolarHBondContact O-N 3.02Å; L133-W154 HydrophobicContact CD1-CH2 4.32Å; L133-W154 HydrophobicContact CD1-CZ3 4.41Å; L133-L156 HydrophobicContact CD1-CD1 4.5Å; L133-L156 HydrophobicContact CD2-CD1 4.28Å; L133-I182 HydrophobicContact CB-CD1 4.03Å; L133-I182 HydrophobicContact CB-CG1 4.29Å; L133-I182 HydrophobicContact CD2-CD1 4.05Å; L133-I182 HydrophobicContact CD2-CG1 4.03Å; L133-I182 HydrophobicContact CD2-CG2 3.96Å; L133-I182 HydrophobicContact CG-CD1 4.24Å; L133-I182 HydrophobicContact CG-CG1 4.05Å
134A97.1Very high94.6Very high0 Ų029.4 Ų29.40%017%0.167CC..Hα-helixtrans-61.9-41.4174.200000112P130 R132 L136 L137 R138 D178 T181 I182P130-A134 WeakPolarHBondContact O-CB 3.31Å; P130-A134 PolarHBondContact O-N 3.42Å; R132-A134 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.2Å; A134-L137 PolarHBondContact O-N 2.95Å; A134-R138 WeakPolarHBondContact O-CB 3.48Å; A134-R138 VanDerWaalsContact O-CG 3.28Å; A134-R138 WeakPolarHBondContact O-CG 3.24Å; A134-R138 PolarHBondContact O-N 2.95Å; A134-D178 HydrophobicContact CB-CB 3.7Å; A134-T181 HydrophobicContact CB-CG2 4.29Å; A134-I182 HydrophobicContact CB-CG1 4.41Å
135D96Very high94.2Very high73 Ų7335.7 Ų35.739%0.3920%0.196SC..Hα-helixtrans-60.9-42.3175.5-165.424000112I112 G131 R132 L133 R138 T139I112-D135 HydrophobicContact CD1-CB 4.32Å; G131-D135 VanDerWaalsContact O-CB 3.28Å; G131-D135 WeakPolarHBondContact O-CB 3.27Å; G131-D135 PolarHBondContact O-N 3.21Å; G131-D135 VanDerWaalsContact O-N 3.09Å; R132-D135 PolarHBondContact O-N 3.46Å; L133-D135 VanDerWaalsContact C-N 3.35Å; L133-D135 PolarHBondContact O-N 3.21Å; D135-R138 PolarHBondContact O-N 3.32Å; D135-T139 WeakPolarHBondContact O-CB 3.4Å; D135-T139 PolarHBondContact O-N 3.3Å; D135-T139 PolarHBondContact O-OG1 3.24Å
136L96.3Very high93.7Very high3 Ų339.9 Ų39.92%0.01623%0.231CC..Hα-helixtrans-62.9-46.2173.8-77.5162.4000112.3I106 I112 Q115 L119 R132 L133 A134 T139 Q140 W154I106-L136 HydrophobicContact CD1-CD1 4.35Å; I106-L136 HydrophobicContact CG2-CD1 3.47Å; I106-L136 VanDerWaalsContact CG2-CD1 3.47Å; I112-L136 HydrophobicContact CD1-CD2 4.29Å; I112-L136 HydrophobicContact CD1-CG 4.48Å; I112-L136 HydrophobicContact CG1-CD2 3.49Å; I112-L136 VanDerWaalsContact CG1-CD2 3.49Å; I112-L136 HydrophobicContact CG1-CG 4Å; Q115-L136 HydrophobicContact CB-CD1 4.23Å; Q115-L136 HydrophobicContact CB-CD2 4.44Å; L119-L136 HydrophobicContact CD1-CD1 3.91Å; R132-L136 HydrophobicContact CG-CD1 4.22Å; R132-L136 PolarHBondContact O-N 2.84Å; L133-L136 PolarHBondContact O-N 3.05Å; A134-L136 PolarHBondContact O-N 3.2Å; L136-T139 PolarHBondContact O-N 2.88Å; L136-Q140 PolarHBondContact O-N 3.4Å; L136-W154 HydrophobicContact CB-CH2 4.09Å; L136-W154 HydrophobicContact CB-CZ2 3.89Å
137L95.6Very high93.2Very high11 Ų1143.7 Ų43.76%0.05825%0.252CS..Hα-helixtrans-61.7-45.8176.8-72.6168.5000111.8L133 A134 T139 Q140 T141 W154 L156 T181 I182 A185L133-L137 HydrophobicContact CG-CD1 4.37Å; L133-L137 WeakPolarHBondContact O-CG 3.43Å; L133-L137 PolarHBondContact O-N 3.02Å; A134-L137 PolarHBondContact O-N 2.95Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 3.33Å; L137-Q140 WeakPolarHBondContact O-CB 3.46Å; L137-Q140 PolarHBondContact O-N 3.48Å; L137-T141 PolarHBondContact O-N 2.86Å; L137-T141 PolarHBondContact O-OG1 2.97Å; L137-T141 VanDerWaalsContact O-OG1 3.08Å; L137-W154 HydrophobicContact CD2-CH2 3.57Å; L137-W154 HydrophobicContact CD2-CZ3 3.7Å; L137-W154 HydrophobicContact CG-CH2 3.94Å; L137-W154 HydrophobicContact CG-CZ3 4.41Å; L137-L156 HydrophobicContact CD1-CD1 4.18Å; L137-L156 HydrophobicContact CD2-CD1 4.19Å; L137-T181 HydrophobicContact CB-CG2 4.16Å; L137-T181 HydrophobicContact CD1-CG2 4.32Å; L137-I182 HydrophobicContact CD1-CB 4.38Å; L137-I182 HydrophobicContact CD1-CG1 3.98Å; L137-A185 HydrophobicContact CD1-CB 3.93Å; L137-A185 HydrophobicContact CD2-CB 3.82Å
138R94.6Very high92.4Very high110 Ų11050.1 Ų50.142%0.41529%0.291SS..Hα-helixtrans-62.9-40.9177.5-71.5175.9-166.6-175.88.6111.9A134 D135 Q140 T141 A142 D178 T181A134-R138 WeakPolarHBondContact O-CB 3.48Å; A134-R138 VanDerWaalsContact O-CG 3.28Å; A134-R138 WeakPolarHBondContact O-CG 3.24Å; A134-R138 PolarHBondContact O-N 2.95Å; D135-R138 PolarHBondContact O-N 3.32Å; R138-Q140 VanDerWaalsContact C-N 3.31Å; R138-Q140 PolarHBondContact O-N 3.43Å; R138-T141 PolarHBondContact O-N 3.24Å; R138-A142 WeakPolarHBondContact O-CB 3.23Å; R138-A142 PolarHBondContact O-N 2.95Å; R138-D178 IonicContact NH2-OD1 3.55Å; R138-D178 PolarHBondContact NH2-OD1 3.07Å; R138-T181 HydrophobicContact CG-CG2 4.21Å; R138-T181 PolarHBondContact NH2-OG1 3.02Å
139T92.3Very high91.8Very high71 Ų7158.2 Ų58.244%0.43633%0.329SS..Hα-helixtrans-61.8-42.5176.4-58.80000110.8I112 D135 L136 L137 A142 A143I112-T139 WeakPolarHBondContact CD1-OG1 3.4Å; D135-T139 WeakPolarHBondContact O-CB 3.4Å; D135-T139 PolarHBondContact O-N 3.3Å; D135-T139 PolarHBondContact O-OG1 3.24Å; L136-T139 PolarHBondContact O-N 2.88Å; L137-T139 VanDerWaalsContact C-N 3.34Å; L137-T139 PolarHBondContact O-N 3.33Å; T139-A142 PolarHBondContact O-N 3.46Å; T139-A143 WeakPolarHBondContact O-CB 3.35Å; T139-A143 PolarHBondContact O-N 3.23Å
140Q89.8Confident91.2Very high30 Ų3060.8 Ų60.814%0.1434%0.342CS..Hα-helixtrans-63.6-48.2175.3-174.3170-86.800111.4L136 L137 R138 A142 A143 Q144 P152 W154L136-Q140 PolarHBondContact O-N 3.4Å; L137-Q140 WeakPolarHBondContact O-CB 3.46Å; L137-Q140 PolarHBondContact O-N 3.48Å; R138-Q140 VanDerWaalsContact C-N 3.31Å; R138-Q140 PolarHBondContact O-N 3.43Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A142 PolarHBondContact O-N 2.96Å; Q140-A143 WeakPolarHBondContact O-CB 3.43Å; Q140-A143 PolarHBondContact O-N 3.19Å; Q140-A143 VanDerWaalsContact O-N 3.14Å; Q140-Q144 WeakPolarHBondContact O-CG 3.45Å; Q140-Q144 PolarHBondContact O-N 2.88Å; Q140-P152 HydrophobicContact CG-CB 3.74Å; Q140-W154 PolarHBondContact NE2-O 2.76Å; Q140-W154 VanDerWaalsContact NE2-O 3.1Å; Q140-W154 PolarHBondContact OE1-O 2.84Å
141T89.1Confident90.5Very high65 Ų6569.2 Ų69.240%0.39938%0.379SS..Hα-helixtrans-57.7-45.1176.8-57.30000111.9L137 R138 A143 Q144 E145L137-T141 PolarHBondContact O-N 2.86Å; L137-T141 PolarHBondContact O-OG1 2.97Å; L137-T141 VanDerWaalsContact O-OG1 3.08Å; R138-T141 PolarHBondContact O-N 3.24Å; T141-A143 VanDerWaalsContact C-N 3.3Å; T141-A143 PolarHBondContact O-N 3.31Å; T141-Q144 PolarHBondContact O-N 2.95Å; T141-Q144 VanDerWaalsContact O-N 3.14Å; T141-E145 HydrophobicContact CG2-CG 4.46Å; T141-E145 WeakPolarHBondContact O-CG 3.44Å; T141-E145 PolarHBondContact O-N 2.68Å
142A90Very high90.2Very high51 Ų5170.2 Ų70.242%0.42138%0.38SS..Hα-helixtrans-62.7-36.3177.400000112.6R138 T139 Q140 Q144 E145 A146R138-A142 WeakPolarHBondContact O-CB 3.23Å; R138-A142 PolarHBondContact O-N 2.95Å; T139-A142 PolarHBondContact O-N 3.46Å; Q140-A142 VanDerWaalsContact C-N 3.34Å; Q140-A142 PolarHBondContact O-N 2.96Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-E145 PolarHBondContact O-N 2.92Å; A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 3.09Å; A142-A146 VanDerWaalsContact O-N 3.08Å
143A87.5Confident89.8Confident39 Ų3974.7 Ų74.732%0.32240%0.403SS..Hα-helixtrans-67.9-33.8175.600000112.5T139 Q140 T141 D147T139-A143 WeakPolarHBondContact O-CB 3.35Å; T139-A143 PolarHBondContact O-N 3.23Å; Q140-A143 WeakPolarHBondContact O-CB 3.43Å; Q140-A143 PolarHBondContact O-N 3.19Å; Q140-A143 VanDerWaalsContact O-N 3.14Å; T141-A143 VanDerWaalsContact C-N 3.3Å; T141-A143 PolarHBondContact O-N 3.31Å; A143-D147 PolarHBondContact O-N 2.93Å
144Q85.7Confident89.6Confident66 Ų6675 Ų7531%0.30840%0.404SS..Hα-helixtrans-75.2-32174.8-62.5-175.3-77.400112.9Q140 T141 A142 A146 D147 T148 P152Q140-Q144 WeakPolarHBondContact O-CG 3.45Å; Q140-Q144 PolarHBondContact O-N 2.88Å; T141-Q144 PolarHBondContact O-N 2.95Å; T141-Q144 VanDerWaalsContact O-N 3.14Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; Q144-A146 VanDerWaalsContact C-N 3.34Å; Q144-D147 CarbonylContact O-C 3.56Å; Q144-D147 VanDerWaalsContact O-C 3.23Å; Q144-D147 VanDerWaalsContact O-O 3.09Å; Q144-T148 PolarHBondContact O-N 3.07Å; Q144-P152 VanDerWaalsContact NE2-CD 3.31Å
145E88Confident89.5Confident154 Ų15477.8 Ų77.872%0.7242%0.421SS*.Hα-helixtrans-70.4-32.4174.5-73.8172.8177.600111.8T141 A142T141-E145 HydrophobicContact CG2-CG 4.46Å; T141-E145 WeakPolarHBondContact O-CG 3.44Å; T141-E145 PolarHBondContact O-N 2.68Å; A142-E145 PolarHBondContact O-N 2.92Å
146A89.3Confident89.5Confident89 Ų8974.4 Ų74.474%0.73640%0.403SS*.Hα-helixtrans-76.1-31.6175.600000113.2A142 Q144A142-A146 WeakPolarHBondContact O-CB 3.45Å; A142-A146 PolarHBondContact O-N 3.09Å; A142-A146 VanDerWaalsContact O-N 3.08Å; Q144-A146 VanDerWaalsContact C-N 3.34Å
147D87.3Confident89.4Confident81 Ų8177.1 Ų77.143%0.43342%0.422SS..  trans-143.6105.8177.81776.2000110A143 Q144 E149 N150A143-D147 PolarHBondContact O-N 2.93Å; Q144-D147 CarbonylContact O-C 3.56Å; Q144-D147 VanDerWaalsContact O-C 3.23Å; Q144-D147 VanDerWaalsContact O-O 3.09Å; D147-E149 PolarHBondContact O-N 2.85Å; D147-E149 PolarHBondContact OD1-N 3.42Å; D147-N150 HydrophobicContact CB-CB 3.99Å; D147-N150 WeakPolarHBondContact O-CB 3.41Å; D147-N150 PolarHBondContact O-N 2.95Å
148T81.3Confident89.3Confident135 Ų13585.9 Ų85.983%0.82845%0.454SS*.THydrogen-bonded Turntrans-65.7-18.1-178.143.20000114Q144 N150Q144-T148 PolarHBondContact O-N 3.07Å; T148-N150 VanDerWaalsContact C-N 3.35Å
149E85Confident89.4Confident169 Ų16980.8 Ų80.879%0.7944%0.435SS*.THydrogen-bonded Turntrans-82.9-16.9174.9-62.7-169.217100112.2D147 K151D147-E149 PolarHBondContact O-N 2.85Å; D147-E149 PolarHBondContact OD1-N 3.42Å; E149-K151 PolarHBondContact O-N 3.13Å
150N83Confident89.7Confident68 Ų6881.3 Ų81.336%0.36443%0.432SS..  trans-69.1104.2179.1-168.88.6000110.7D147 T148D147-N150 HydrophobicContact CB-CB 3.99Å; D147-N150 WeakPolarHBondContact O-CB 3.41Å; D147-N150 PolarHBondContact O-N 2.95Å; T148-N150 VanDerWaalsContact C-N 3.35Å
151K83.9Confident90.1Very high176 Ų17680 Ų8077%0.76543%0.426SS*.  trans-79.5140.7176.2-71.9179.7-176.2172.10110.2E149 E153E149-K151 PolarHBondContact O-N 3.13Å; K151-E153 PolarHBondContact O-N 3.23Å
152P88.3Confident90.5Very high48 Ų4877 Ų7731%0.31241%0.407SS..  trans-67.4127.3179.228.4-27.2000109.3Q140 Q144 W154Q140-P152 HydrophobicContact CG-CB 3.74Å; Q144-P152 VanDerWaalsContact NE2-CD 3.31Å; P152-W154 PolarHBondContact O-N 2.91Å
153E87.9Confident90.9Very high129 Ų12974.5 Ų74.560%0.60339%0.387SS*.SBendtrans-63.6-23.9-178.6-63.4-178.6161.900112.7A120 K151A120-E153 HydrophobicContact CB-CB 3.82Å; K151-E153 PolarHBondContact O-N 3.23Å
154W94Very high91.4Very high8 Ų873.5 Ų73.53%0.0338%0.376CS..  trans-143.5153.7177.157.1-86.8000110.8L70 L119 L133 L136 L137 Q140 P152 L156L70-W154 HydrophobicContact CD1-CB 4.27Å; L119-W154 HydrophobicContact CB-CB 4.29Å; L119-W154 HydrophobicContact CB-CD2 3.91Å; L119-W154 HydrophobicContact CB-CG 3.69Å; L119-W154 HydrophobicContact CD1-CD2 3.78Å; L119-W154 HydrophobicContact CD1-CE3 4.01Å; L119-W154 HydrophobicContact CD1-CG 4.44Å; L119-W154 HydrophobicContact CD1-CH2 3.85Å; L119-W154 HydrophobicContact CD1-CZ2 3.62Å; L119-W154 HydrophobicContact CD1-CZ3 4.03Å; L119-W154 HydrophobicContact CD2-CD2 4.5Å; L119-W154 HydrophobicContact CD2-CE3 4.39Å; L119-W154 HydrophobicContact CG-CD2 4.3Å; L133-W154 HydrophobicContact CD1-CH2 4.32Å; L133-W154 HydrophobicContact CD1-CZ3 4.41Å; L136-W154 HydrophobicContact CB-CH2 4.09Å; L136-W154 HydrophobicContact CB-CZ2 3.89Å; L137-W154 HydrophobicContact CD2-CH2 3.57Å; L137-W154 HydrophobicContact CD2-CZ3 3.7Å; L137-W154 HydrophobicContact CG-CH2 3.94Å; L137-W154 HydrophobicContact CG-CZ3 4.41Å; Q140-W154 PolarHBondContact NE2-O 2.76Å; Q140-W154 VanDerWaalsContact NE2-O 3.1Å; Q140-W154 PolarHBondContact OE1-O 2.84Å; P152-W154 PolarHBondContact O-N 2.91Å; W154-L156 HydrophobicContact CZ3-CD1 4.48Å; W154-L156 HydrophobicContact CZ3-CD2 4.37Å; W154-L156 HydrophobicContact CZ3-CG 4.06Å
155T94.1Very high91.9Very high58 Ų5870.6 Ų70.636%0.35636%0.363SS..  trans-145.3134.2-178.6-178.70000111.8L70 S157L70-T155 VanDerWaalsContact CD1-O 3.23Å; L70-T155 WeakPolarHBondContact CD1-O 3.46Å; T155-S157 VanDerWaalsContact CG2-OG 3.29Å; T155-S157 WeakPolarHBondContact CG2-OG 3.21Å; T155-S157 PolarHBondContact O-N 3.02Å; T155-S157 WeakPolarHBondContact OG1-CB 3.4Å; T155-S157 PolarHBondContact OG1-N 3.28Å; T155-S157 PolarHBondContact OG1-OG 3.17Å
156L96.3Very high92Very high2 Ų264.1 Ų64.11%0.0133%0.332CS..G310 helixtrans-79.6-3.6174.4-62.5179.6000112.9L73 L133 L137 W154 R158 T159 A185 L186 P187L73-L156 HydrophobicContact CD2-CD1 4.21Å; L133-L156 HydrophobicContact CD1-CD1 4.5Å; L133-L156 HydrophobicContact CD2-CD1 4.28Å; L137-L156 HydrophobicContact CD1-CD1 4.18Å; L137-L156 HydrophobicContact CD2-CD1 4.19Å; W154-L156 HydrophobicContact CZ3-CD1 4.48Å; W154-L156 HydrophobicContact CZ3-CD2 4.37Å; W154-L156 HydrophobicContact CZ3-CG 4.06Å; L156-R158 PolarHBondContact O-N 3.25Å; L156-T159 VanDerWaalsContact O-CB 3.3Å; L156-T159 WeakPolarHBondContact O-CB 3.35Å; L156-T159 PolarHBondContact O-N 2.96Å; L156-T159 PolarHBondContact O-OG1 3.5Å; L156-A185 CarbonylContact C-O 3.6Å; L156-A185 HydrophobicContact CB-CB 4.46Å; L156-A185 HydrophobicContact CD1-CB 4.32Å; L156-L186 HydrophobicContact CB-CD2 4.01Å; L156-L186 HydrophobicContact CD1-CD2 4.48Å; L156-P187 VanDerWaalsContact O-CD 3.24Å; L156-P187 WeakPolarHBondContact O-CD 3.39Å
157S94.5Very high92.1Very high60 Ų6059.9 Ų59.942%0.4230%0.297SS..G310 helixtrans-59.3-16.1-176.6590000114.8T155 A185 P187T155-S157 VanDerWaalsContact CG2-OG 3.29Å; T155-S157 WeakPolarHBondContact CG2-OG 3.21Å; T155-S157 PolarHBondContact O-N 3.02Å; T155-S157 WeakPolarHBondContact OG1-CB 3.4Å; T155-S157 PolarHBondContact OG1-N 3.28Å; T155-S157 PolarHBondContact OG1-OG 3.17Å; S157-A185 PolarHBondContact N-O 3.42Å; S157-P187 WeakPolarHBondContact O-CB 3.28Å; S157-P187 WeakPolarHBondContact O-CG 3.28Å
158R93.1Very high92.2Very high195 Ų19556 Ų5674%0.73628%0.277SS*.G310 helixtrans-104.22178.7-61.9-179.2178.5178.5-0.6114L156 K160L156-R158 PolarHBondContact O-N 3.25Å; R158-K160 PolarHBondContact O-N 3.33Å
159T97.5Very high92.4Very high2 Ų250 Ų501%0.01224%0.239CC..  trans-62.9121.5-178.9-49.50000110.5L70 L73 L156 V161 V162 L186 P187L70-T159 VanDerWaalsContact O-CA 3.28Å; L70-T159 WeakPolarHBondContact O-CA 3.37Å; L70-T159 PolarHBondContact O-OG1 3.48Å; L73-T159 HydrophobicContact CB-CG2 3.91Å; L156-T159 VanDerWaalsContact O-CB 3.3Å; L156-T159 WeakPolarHBondContact O-CB 3.35Å; L156-T159 PolarHBondContact O-N 2.96Å; L156-T159 PolarHBondContact O-OG1 3.5Å; T159-V161 WeakPolarHBondContact CG2-O 3.22Å; T159-V162 HydrophobicContact CG2-CG2 3.94Å; T159-L186 HydrophobicContact CG2-CD2 3.89Å; T159-P187 WeakPolarHBondContact O-CG 3.35Å
160K97.5Very high92.8Very high83 Ų8342 Ų4236%0.36120%0.201SC..  trans-91.5-33.1-179.1-70.4-155-179.7-172.40113.4E66 Y71 R158 R190 Q191E66-K160 VanDerWaalsContact OE1-CE 3.31Å; E66-K160 WeakPolarHBondContact OE1-CE 3.3Å; E66-K160 IonicContact OE1-NZ 2.59Å; E66-K160 PolarHBondContact OE1-NZ 2.72Å; E66-K160 WeakPolarHBondContact OE2-CE 3.49Å; E66-K160 IonicContact OE2-NZ 3.89Å; E66-K160 PolarHBondContact OE2-NZ 2.96Å; Y71-K160 HydrophobicContact CD2-CB 4.38Å; Y71-K160 HydrophobicContact CD2-CD 4.31Å; Y71-K160 HydrophobicContact CD2-CG 4.4Å; Y71-K160 HydrophobicContact CE1-CB 4.3Å; Y71-K160 HydrophobicContact CE2-CB 4.12Å; Y71-K160 HydrophobicContact CE2-CD 3.7Å; Y71-K160 HydrophobicContact CE2-CG 4.19Å; Y71-K160 PolarHBondContact O-N 2.79Å; R158-K160 PolarHBondContact O-N 3.33Å; K160-R190 CarbonylContact O-C 3.55Å; K160-R190 WeakPolarHBondContact O-CA 3.32Å; K160-R190 WeakPolarHBondContact O-CB 3.43Å; K160-Q191 PolarHBondContact O-N 3.12Å
161V98.3Very high93.2Very high2 Ų241.6 Ų41.61%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-125.4128.6-177.4-173.80000110I59 Y71 A72 L73 T159 V163 Q191 L193I59-V161 HydrophobicContact CD1-CG1 4.02Å; I59-V161 HydrophobicContact CG1-CG1 4.03Å; Y71-V161 HydrophobicContact CD1-CG2 4.34Å; Y71-V161 HydrophobicContact CE1-CG2 3.66Å; Y71-V161 PolarHBondContact O-N 2.79Å; Y71-V161 VanDerWaalsContact O-N 3.07Å; A72-V161 CarbonylContact C-O 3.49Å; A72-V161 VanDerWaalsContact CA-O 3.31Å; A72-V161 WeakPolarHBondContact CA-O 3.43Å; A72-V161 HydrophobicContact CB-CB 4.3Å; L73-V161 PolarHBondContact N-O 3.24Å; T159-V161 WeakPolarHBondContact CG2-O 3.22Å; V161-V163 HydrophobicContact CG1-CG2 4.23Å; V161-Q191 WeakPolarHBondContact CA-O 3.37Å; V161-Q191 HydrophobicContact CG2-CB 4.33Å; V161-L193 HydrophobicContact CG1-CD1 3.97Å; V161-L193 HydrophobicContact CG1-CG 4.28Å
162V98.4Very high93.3Very high1 Ų136.7 Ų36.71%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-119.7125.7172.4176.40000109.2L73 T159 L164 L186 Q191 T192 L193L73-V162 HydrophobicContact CB-CG2 4.44Å; L73-V162 CarbonylContact O-C 3.52Å; L73-V162 VanDerWaalsContact O-CA 3.31Å; L73-V162 WeakPolarHBondContact O-CA 3.39Å; T159-V162 HydrophobicContact CG2-CG2 3.94Å; V162-L164 HydrophobicContact CG1-CD2 4.35Å; V162-L186 HydrophobicContact CG1-CD1 4.31Å; V162-L186 HydrophobicContact CG2-CD1 3.73Å; V162-L186 HydrophobicContact CG2-CD2 3.74Å; V162-L186 HydrophobicContact CG2-CG 4.34Å; V162-Q191 PolarHBondContact N-O 2.67Å; V162-T192 CarbonylContact O-C 3.54Å; V162-T192 WeakPolarHBondContact O-CA 3.43Å; V162-L193 PolarHBondContact O-N 3.11Å
163V98.4Very high93Very high0 Ų036.2 Ų36.20%017%0.174CC..EExtended strand (participates in β ladder)trans-110.7129.1176.7-1720000109.4F55 I59 L73 I74 I75 V161 L193 F195F55-V163 HydrophobicContact CB-CG2 4.48Å; F55-V163 HydrophobicContact CD1-CG1 3.89Å; F55-V163 HydrophobicContact CD2-CG1 4.13Å; F55-V163 HydrophobicContact CD2-CG2 4.17Å; F55-V163 HydrophobicContact CE1-CG1 3.96Å; F55-V163 HydrophobicContact CE2-CG1 4.25Å; F55-V163 HydrophobicContact CG-CG1 3.96Å; F55-V163 HydrophobicContact CG-CG2 4.38Å; F55-V163 HydrophobicContact CZ-CG1 4.15Å; I59-V163 HydrophobicContact CD1-CG2 3.84Å; L73-V163 PolarHBondContact O-N 2.85Å; I74-V163 HydrophobicContact CB-CB 4.25Å; I74-V163 HydrophobicContact CG1-CB 3.92Å; I74-V163 HydrophobicContact CG1-CG2 3.93Å; I74-V163 HydrophobicContact CG2-CB 4.1Å; I74-V163 HydrophobicContact CG2-CG1 4.32Å; I75-V163 PolarHBondContact N-O 3.43Å; V161-V163 HydrophobicContact CG1-CG2 4.23Å; V163-L193 CarbonylContact C-O 3.59Å; V163-L193 VanDerWaalsContact CA-O 3.25Å; V163-L193 WeakPolarHBondContact CA-O 3.43Å; V163-L193 HydrophobicContact CG1-CB 4.45Å; V163-L193 HydrophobicContact CG2-CB 4.25Å; V163-L193 HydrophobicContact CG2-CD1 4.12Å; V163-F195 HydrophobicContact CG1-CD2 4.05Å
164L97.6Very high92.9Very high18 Ų1838.1 Ų38.19%0.09419%0.188CC..EExtended strand (participates in β ladder)trans-106.899.6168-56.8-176000108I75 V162 A167 L170 L193 L194 F195I75-L164 HydrophobicContact CB-CD2 3.87Å; I75-L164 HydrophobicContact CD1-CD2 3.86Å; I75-L164 HydrophobicContact CG1-CD2 4.21Å; I75-L164 HydrophobicContact CG2-CD2 4.46Å; V162-L164 HydrophobicContact CG1-CD2 4.35Å; L164-A167 HydrophobicContact CB-CB 4.35Å; L164-L170 HydrophobicContact CB-CD1 3.93Å; L164-L170 HydrophobicContact CD2-CD1 4.32Å; L164-L193 PolarHBondContact N-O 3.12Å; L164-L194 HydrophobicContact CB-CG 4.42Å; L164-F195 PolarHBondContact O-N 3.32Å
165D95.2Very high92.8Very high5 Ų539.7 Ų39.73%0.02720%0.195CC..EExtended strand (participates in β ladder)trans-95.4141.9178-169.129.6000111.4F55 I75 P77 I85 L170F55-D165 HydrophobicContact CE1-CB 4.44Å; I75-D165 PolarHBondContact O-N 3.17Å; P77-D165 VanDerWaalsContact CD-O 3.26Å; P77-D165 WeakPolarHBondContact CD-O 3.25Å; I85-D165 HydrophobicContact CD1-CB 4.27Å; I85-D165 WeakPolarHBondContact CD1-OD2 3.44Å; D165-L170 VanDerWaalsContact O-CD1 3.31Å; D165-L170 WeakPolarHBondContact O-CD1 3.46Å
166E90.7Very high92.6Very high17 Ų1739.4 Ų39.48%0.07920%0.203CC..THydrogen-bonded Turntrans51.351.4-162.4-65.2-167.8178.400112.4P77 L81 D168 R169 L170 F195P77-E166 HydrophobicContact CG-CB 3.77Å; P77-E166 WeakPolarHBondContact CG-OE2 3.26Å; L81-E166 HydrophobicContact CD2-CB 4.36Å; L81-E166 VanDerWaalsContact CD2-CD 3.46Å; L81-E166 HydrophobicContact CD2-CG 3.59Å; E166-D168 VanDerWaalsContact C-N 3.3Å; E166-D168 PolarHBondContact O-N 3.1Å; E166-R169 WeakPolarHBondContact O-CB 3.31Å; E166-R169 PolarHBondContact O-N 2.77Å; E166-R169 IonicContact OE1-NH1 3.66Å; E166-R169 VanDerWaalsContact OE2-CD 3.27Å; E166-R169 WeakPolarHBondContact OE2-CD 3.46Å; E166-R169 IonicContact OE2-CZ 2.71Å; E166-R169 IonicContact OE2-NE 3.65Å; E166-R169 IonicContact OE2-NH1 2.68Å; E166-R169 PolarHBondContact OE2-NH1 3.39Å; E166-L170 PolarHBondContact O-N 2.98Å; E166-L170 VanDerWaalsContact O-N 3.13Å; E166-F195 PolarHBondContact N-O 3.19Å
167A92.6Very high92.4Very high0 Ų046.5 Ų46.50%024%0.236CC..Hα-helixtrans-61.8-31.9-173.900000114.7L164 R169 L170 L171 L194 F195L164-A167 HydrophobicContact CB-CB 4.35Å; A167-R169 PolarHBondContact O-N 2.78Å; A167-L170 PolarHBondContact O-N 3.45Å; A167-L171 WeakPolarHBondContact O-CB 3.02Å; A167-L171 WeakPolarHBondContact O-CG 3.23Å; A167-L171 PolarHBondContact O-N 3.2Å; A167-L194 HydrophobicContact CB-CD1 4.03Å; A167-L194 HydrophobicContact CB-CD2 3.14Å; A167-L194 HydrophobicContact CB-CG 3.37Å; A167-F195 PolarHBondContact N-O 3.48Å
168D87.7Confident92.5Very high1 Ų145.2 Ų45.21%0.00523%0.225CC..Hα-helixtrans-55.2-32.7172.654.7-4.2000112.2E166 E172 S196 T198 V203E166-D168 VanDerWaalsContact C-N 3.3Å; E166-D168 PolarHBondContact O-N 3.1Å; D168-E172 WeakPolarHBondContact O-CB 3.36Å; D168-E172 WeakPolarHBondContact O-CG 3.33Å; D168-E172 PolarHBondContact O-N 3.47Å; D168-S196 VanDerWaalsContact CB-OG 3.31Å; D168-S196 WeakPolarHBondContact CB-OG 3.26Å; D168-S196 VanDerWaalsContact CG-OG 3.26Å; D168-S196 PolarHBondContact N-OG 3.18Å; D168-T198 PolarHBondContact OD2-N 3.29Å; D168-T198 PolarHBondContact OD2-OG1 3.26Å; D168-V203 HydrophobicContact CB-CG2 4.04Å
169R87.2Confident92.6Very high8 Ų836.6 Ų36.63%0.0319%0.193CC..Hα-helixtrans-84.5-42.5175.3-74.1171.5170.8165.3-1.7113.6P77 E166 A167 L171 E172 D173 R335 D356 H359P77-R169 HydrophobicContact CB-CB 4.14Å; P77-R169 HydrophobicContact CG-CB 4.03Å; E166-R169 WeakPolarHBondContact O-CB 3.31Å; E166-R169 PolarHBondContact O-N 2.77Å; E166-R169 IonicContact OE1-NH1 3.66Å; E166-R169 VanDerWaalsContact OE2-CD 3.27Å; E166-R169 WeakPolarHBondContact OE2-CD 3.46Å; E166-R169 IonicContact OE2-CZ 2.71Å; E166-R169 IonicContact OE2-NE 3.65Å; E166-R169 IonicContact OE2-NH1 2.68Å; E166-R169 PolarHBondContact OE2-NH1 3.39Å; A167-R169 PolarHBondContact O-N 2.78Å; R169-L171 PolarHBondContact O-N 2.98Å; R169-E172 PolarHBondContact O-N 3.01Å; R169-D173 VanDerWaalsContact O-CB 3.28Å; R169-D173 WeakPolarHBondContact O-CB 3.48Å; R169-D173 PolarHBondContact O-N 3.35Å; R169-R335 VanDerWaalsContact NE-NH2 3.2Å; R169-D356 IonicContact NH2-OD1 3.8Å; R169-D356 PolarHBondContact NH2-OD1 3.41Å; R169-H359 PolarHBondContact NH2-ND1 3.5Å
170L93Very high92.5Very high1 Ų140.5 Ų40.51%0.00521%0.214CC..Hα-helixtrans-55.2-35.9176-70.6173.5000111.3I75 P77 P130 L164 D165 E166 A167 F175 L179I75-L170 HydrophobicContact CG2-CD1 4.19Å; I75-L170 HydrophobicContact CG2-CD2 4.04Å; P77-L170 HydrophobicContact CB-CD2 4.03Å; P77-L170 HydrophobicContact CB-CG 4.47Å; P130-L170 HydrophobicContact CG-CD2 3.53Å; L164-L170 HydrophobicContact CB-CD1 3.93Å; L164-L170 HydrophobicContact CD2-CD1 4.32Å; D165-L170 VanDerWaalsContact O-CD1 3.31Å; D165-L170 WeakPolarHBondContact O-CD1 3.46Å; E166-L170 PolarHBondContact O-N 2.98Å; E166-L170 VanDerWaalsContact O-N 3.13Å; A167-L170 PolarHBondContact O-N 3.45Å; L170-F175 HydrophobicContact CD2-CD2 4.37Å; L170-L179 HydrophobicContact CB-CD1 4.23Å; L170-L179 VanDerWaalsContact O-CD1 3.28Å; L170-L179 WeakPolarHBondContact O-CD1 3.01Å
171L91.2Very high92.5Very high60 Ų6038.2 Ų38.231%0.31421%0.207SC..Hα-helixtrans-89.9-25.8-176.9-60172.2000114.3A167 R169 L194 A202 V203A167-L171 WeakPolarHBondContact O-CB 3.02Å; A167-L171 WeakPolarHBondContact O-CG 3.23Å; A167-L171 PolarHBondContact O-N 3.2Å; R169-L171 PolarHBondContact O-N 2.98Å; L171-L194 HydrophobicContact CD1-CD1 4.41Å; L171-A202 HydrophobicContact CB-CB 3.81Å; L171-V203 HydrophobicContact CD1-CG2 4.25Å
172E85Confident92.4Very high72 Ų7238.1 Ų38.134%0.33621%0.207SC..Hα-helixtrans-100.1-28-177.5-68.9174.9-173.600114.5D168 R169 S200 A202 K355D168-E172 WeakPolarHBondContact O-CB 3.36Å; D168-E172 WeakPolarHBondContact O-CG 3.33Å; D168-E172 PolarHBondContact O-N 3.47Å; R169-E172 PolarHBondContact O-N 3.01Å; E172-S200 WeakPolarHBondContact OE1-CB 3.31Å; E172-S200 PolarHBondContact OE1-OG 3.37Å; E172-A202 HydrophobicContact CG-CB 3.63Å; E172-K355 IonicContact OE1-NZ 2.71Å; E172-K355 PolarHBondContact OE1-NZ 2.89Å; E172-K355 IonicContact OE2-NZ 3.17Å; E172-K355 PolarHBondContact OE2-NZ 3.32Å
173D83.5Confident92.2Very high39 Ų3941.7 Ų41.721%0.20923%0.225CC..SBendtrans-81173.7174.9-65.3-24.3000109.8R169 F175 R335 R353R169-D173 VanDerWaalsContact O-CB 3.28Å; R169-D173 WeakPolarHBondContact O-CB 3.48Å; R169-D173 PolarHBondContact O-N 3.35Å; D173-F175 HydrophobicContact CB-CD2 3.86Å; D173-F175 HydrophobicContact CB-CE2 3.74Å; D173-F175 PolarHBondContact O-N 3.31Å; D173-R335 IonicContact OD2-NH1 2.86Å; D173-R353 IonicContact OD1-CZ 2.73Å; D173-R353 IonicContact OD1-NH1 3.55Å; D173-R353 PolarHBondContact OD1-NH1 3.46Å; D173-R353 IonicContact OD1-NH2 3.24Å
174N85.8Confident92.1Very high168 Ų16849.2 Ų49.290%0.89826%0.258SS*.THydrogen-bonded Turntrans-76.251.8-172.7-68.1-10.7000114
175F90.2Very high92Very high42 Ų4249.9 Ų49.918%0.18427%0.266CS..THydrogen-bonded Turntrans-105.6-1.5178-59.9-64.9000114.1P77 P130 L170 D173 E177 D178 L179P77-F175 HydrophobicContact CB-CE2 3.83Å; P77-F175 HydrophobicContact CB-CZ 4.2Å; P130-F175 HydrophobicContact CB-CB 4.25Å; P130-F175 HydrophobicContact CB-CD1 3.98Å; P130-F175 HydrophobicContact CB-CG 4.33Å; P130-F175 HydrophobicContact CG-CB 4.23Å; P130-F175 HydrophobicContact CG-CD1 3.92Å; P130-F175 HydrophobicContact CG-CE1 4.44Å; P130-F175 HydrophobicContact CG-CG 4.04Å; L170-F175 HydrophobicContact CD2-CD2 4.37Å; D173-F175 HydrophobicContact CB-CD2 3.86Å; D173-F175 HydrophobicContact CB-CE2 3.74Å; D173-F175 PolarHBondContact O-N 3.31Å; F175-E177 PolarHBondContact O-N 3.28Å; F175-D178 PolarHBondContact O-N 2.93Å; F175-D178 VanDerWaalsContact O-N 3.11Å; F175-L179 HydrophobicContact CB-CD1 4.06Å; F175-L179 HydrophobicContact CB-CG 4.16Å; F175-L179 WeakPolarHBondContact O-CB 3.32Å; F175-L179 WeakPolarHBondContact O-CG 3.4Å; F175-L179 PolarHBondContact O-N 2.93Å
176G90.3Very high92.1Very high51 Ų5150.3 Ų50.353%0.52627%0.268SS..Hα-helixtrans-54.8-43.9-171.900000114.7N180G176-N180 WeakPolarHBondContact O-CB 3.47Å; G176-N180 PolarHBondContact O-N 3.42Å
177E93.5Very high92.3Very high152 Ų15250.9 Ų50.971%0.7127%0.274SS*.Hα-helixtrans-64.6-44.7176.9-69-175.9-178.700112.2F175 N180 T181F175-E177 PolarHBondContact O-N 3.28Å; E177-N180 PolarHBondContact O-N 3.4Å; E177-T181 PolarHBondContact O-N 3.41Å; E177-T181 PolarHBondContact O-OG1 3.05Å
178D96.4Very high92.3Very high33 Ų3359.5 Ų59.518%0.17631%0.311CS..Hα-helixtrans-67-43.9-179.1-65.9-26.9000111.3P130 G131 A134 R138 F175 N180 T181 I182P130-D178 HydrophobicContact CB-CB 3.96Å; G131-D178 WeakPolarHBondContact CA-OD2 3.41Å; A134-D178 HydrophobicContact CB-CB 3.7Å; R138-D178 IonicContact NH2-OD1 3.55Å; R138-D178 PolarHBondContact NH2-OD1 3.07Å; F175-D178 PolarHBondContact O-N 2.93Å; F175-D178 VanDerWaalsContact O-N 3.11Å; D178-N180 VanDerWaalsContact C-N 3.33Å; D178-N180 PolarHBondContact O-N 3.23Å; D178-T181 WeakPolarHBondContact O-CB 3.39Å; D178-T181 PolarHBondContact O-N 3.14Å; D178-I182 WeakPolarHBondContact O-CD1 3.37Å; D178-I182 VanDerWaalsContact O-CG1 3.29Å; D178-I182 WeakPolarHBondContact O-CG1 3.41Å; D178-I182 PolarHBondContact O-N 2.99Å
179L95.5Very high92.4Very high14 Ų1470 Ų707%0.07335%0.351CS..Hα-helixtrans-61.6-41.1174.8-72.9173.9000111.4I75 P130 L170 F175 T181 I182 L183I75-L179 HydrophobicContact CD1-CD2 4.29Å; I75-L179 HydrophobicContact CG2-CD2 4.01Å; P130-L179 HydrophobicContact CB-CD2 4.15Å; P130-L179 HydrophobicContact CB-CG 4.34Å; P130-L179 HydrophobicContact CG-CD2 4.07Å; P130-L179 HydrophobicContact CG-CG 4.48Å; L170-L179 HydrophobicContact CB-CD1 4.23Å; L170-L179 VanDerWaalsContact O-CD1 3.28Å; L170-L179 WeakPolarHBondContact O-CD1 3.01Å; F175-L179 HydrophobicContact CB-CD1 4.06Å; F175-L179 HydrophobicContact CB-CG 4.16Å; F175-L179 WeakPolarHBondContact O-CB 3.32Å; F175-L179 WeakPolarHBondContact O-CG 3.4Å; F175-L179 PolarHBondContact O-N 2.93Å; L179-T181 PolarHBondContact O-N 3.47Å; L179-I182 PolarHBondContact O-N 3.48Å; L179-L183 WeakPolarHBondContact O-CB 3.2Å; L179-L183 VanDerWaalsContact O-CG 3.22Å; L179-L183 WeakPolarHBondContact O-CG 3.35Å; L179-L183 PolarHBondContact O-N 3.28Å
180N94.8Very high92.8Very high83 Ų8372.1 Ų72.144%0.44436%0.358SS..Hα-helixtrans-62.7-41.5175.7-173.337.6000111.9G176 E177 D178 I182 L183 K184G176-N180 WeakPolarHBondContact O-CB 3.47Å; G176-N180 PolarHBondContact O-N 3.42Å; E177-N180 PolarHBondContact O-N 3.4Å; D178-N180 VanDerWaalsContact C-N 3.33Å; D178-N180 PolarHBondContact O-N 3.23Å; N180-I182 VanDerWaalsContact C-N 3.32Å; N180-I182 PolarHBondContact O-N 2.66Å; N180-L183 PolarHBondContact O-N 3.15Å; N180-K184 WeakPolarHBondContact O-CG 3.35Å; N180-K184 PolarHBondContact O-N 2.88Å
181T96.6Very high93Very high36 Ų3673.1 Ų73.122%0.22136%0.363CS..Hα-helixtrans-57.4-46.5172.8-58.70000111.1A134 L137 R138 E177 D178 L179A134-T181 HydrophobicContact CB-CG2 4.29Å; L137-T181 HydrophobicContact CB-CG2 4.16Å; L137-T181 HydrophobicContact CD1-CG2 4.32Å; R138-T181 HydrophobicContact CG-CG2 4.21Å; R138-T181 PolarHBondContact NH2-OG1 3.02Å; E177-T181 PolarHBondContact O-N 3.41Å; E177-T181 PolarHBondContact O-OG1 3.05Å; D178-T181 WeakPolarHBondContact O-CB 3.39Å; D178-T181 PolarHBondContact O-N 3.14Å; L179-T181 PolarHBondContact O-N 3.47Å
182I97.2Very high93.3Very high0 Ų072 Ų720%036%0.359CS..Hα-helixtrans-66.6-46.6-178.8-63.9160.1000111.5L73 I75 P130 L133 A134 L137 D178 L179 N180 K184 A185 L186L73-I182 HydrophobicContact CD2-CG2 3.88Å; I75-I182 HydrophobicContact CD1-CD1 4.34Å; I75-I182 HydrophobicContact CD1-CG2 3.81Å; P130-I182 HydrophobicContact CB-CD1 4.17Å; L133-I182 HydrophobicContact CB-CD1 4.03Å; L133-I182 HydrophobicContact CB-CG1 4.29Å; L133-I182 HydrophobicContact CD2-CD1 4.05Å; L133-I182 HydrophobicContact CD2-CG1 4.03Å; L133-I182 HydrophobicContact CD2-CG2 3.96Å; L133-I182 HydrophobicContact CG-CD1 4.24Å; L133-I182 HydrophobicContact CG-CG1 4.05Å; A134-I182 HydrophobicContact CB-CG1 4.41Å; L137-I182 HydrophobicContact CD1-CB 4.38Å; L137-I182 HydrophobicContact CD1-CG1 3.98Å; D178-I182 WeakPolarHBondContact O-CD1 3.37Å; D178-I182 VanDerWaalsContact O-CG1 3.29Å; D178-I182 WeakPolarHBondContact O-CG1 3.41Å; D178-I182 PolarHBondContact O-N 2.99Å; L179-I182 PolarHBondContact O-N 3.48Å; N180-I182 VanDerWaalsContact C-N 3.32Å; N180-I182 PolarHBondContact O-N 2.66Å; I182-K184 VanDerWaalsContact C-N 3.25Å; I182-K184 PolarHBondContact O-N 3.45Å; I182-A185 PolarHBondContact O-N 3.39Å; I182-L186 HydrophobicContact CG2-CD1 4Å; I182-L186 WeakPolarHBondContact O-CG 3.18Å; I182-L186 PolarHBondContact O-N 3.29Å
183L94.7Very high93.9Very high75 Ų7568.6 Ų68.639%0.39334%0.343SS..Hα-helixtrans-60.8-33-179-71.3171.9000112.7L179 N180 A185 L186L179-L183 WeakPolarHBondContact O-CB 3.2Å; L179-L183 VanDerWaalsContact O-CG 3.22Å; L179-L183 WeakPolarHBondContact O-CG 3.35Å; L179-L183 PolarHBondContact O-N 3.28Å; N180-L183 PolarHBondContact O-N 3.15Å; L183-A185 VanDerWaalsContact C-N 3.32Å; L183-L186 HydrophobicContact CD2-CD1 4.21Å; L183-L186 PolarHBondContact O-N 2.83Å
184K95.4Very high94.6Very high159 Ų15967.1 Ų67.169%0.69134%0.335SS*.Hα-helixtrans-69.1-27.3174.6-74176.9179.7-175.80113.7N180 I182N180-K184 WeakPolarHBondContact O-CG 3.35Å; N180-K184 PolarHBondContact O-N 2.88Å; I182-K184 VanDerWaalsContact C-N 3.25Å; I182-K184 PolarHBondContact O-N 3.45Å
185A95.7Very high95Very high32 Ų3259.1 Ų59.126%0.26429%0.292SS..Hα-helixtrans-84.1-12.1178.400000113.2L137 L156 S157 I182 L183L137-A185 HydrophobicContact CD1-CB 3.93Å; L137-A185 HydrophobicContact CD2-CB 3.82Å; L156-A185 CarbonylContact C-O 3.6Å; L156-A185 HydrophobicContact CB-CB 4.46Å; L156-A185 HydrophobicContact CD1-CB 4.32Å; S157-A185 PolarHBondContact N-O 3.42Å; I182-A185 PolarHBondContact O-N 3.39Å; L183-A185 VanDerWaalsContact C-N 3.32Å
186L96.9Very high95.1Very high13 Ų1357.1 Ų57.17%0.06828%0.283CS..SBendtrans-89.3150.8-179.1-72.1164.6000111.7L73 L156 T159 V162 I182 L183L73-L186 HydrophobicContact CD2-CD1 4.29Å; L73-L186 HydrophobicContact CD2-CD2 4.09Å; L156-L186 HydrophobicContact CB-CD2 4.01Å; L156-L186 HydrophobicContact CD1-CD2 4.48Å; T159-L186 HydrophobicContact CG2-CD2 3.89Å; V162-L186 HydrophobicContact CG1-CD1 4.31Å; V162-L186 HydrophobicContact CG2-CD1 3.73Å; V162-L186 HydrophobicContact CG2-CD2 3.74Å; V162-L186 HydrophobicContact CG2-CG 4.34Å; I182-L186 HydrophobicContact CG2-CD1 4Å; I182-L186 WeakPolarHBondContact O-CG 3.18Å; I182-L186 PolarHBondContact O-N 3.29Å; L183-L186 HydrophobicContact CD2-CD1 4.21Å; L183-L186 PolarHBondContact O-N 2.83Å
187P95.7Very high94.8Very high30 Ų3055.1 Ų55.120%0.19526%0.262CS..  trans-65.3145.317525.6-32.1000111.1L156 S157 T159 R189 R190L156-P187 VanDerWaalsContact O-CD 3.24Å; L156-P187 WeakPolarHBondContact O-CD 3.39Å; S157-P187 WeakPolarHBondContact O-CB 3.28Å; S157-P187 WeakPolarHBondContact O-CG 3.28Å; T159-P187 WeakPolarHBondContact O-CG 3.35Å; P187-R189 PolarHBondContact O-N 2.93Å; P187-R190 HydrophobicContact CG-CB 4.35Å; P187-R190 WeakPolarHBondContact O-CD 3.44Å; P187-R190 PolarHBondContact O-NH1 2.7Å
188K91Very high94.2Very high181 Ų18148 Ų4879%0.78723%0.229SC*.SBendtrans-59.4-44.8176.9-67.8-173.6178.2-176.70112.2
189R91.2Very high93.7Very high222 Ų22248.7 Ų48.784%0.83823%0.231SC*.SBendtrans-93106.9177.7-172.7176.5179.9177.60.2110.1P187P187-R189 PolarHBondContact O-N 2.93Å
190R95Very high93.1Very high51 Ų5148.3 Ų48.319%0.19223%0.229CC..  trans-158.3159.2177.664.6-174.1-171.4-82.5-7.2109.1K160 P187K160-R190 CarbonylContact O-C 3.55Å; K160-R190 WeakPolarHBondContact O-CA 3.32Å; K160-R190 WeakPolarHBondContact O-CB 3.43Å; P187-R190 HydrophobicContact CG-CB 4.35Å; P187-R190 WeakPolarHBondContact O-CD 3.44Å; P187-R190 PolarHBondContact O-NH1 2.7Å
191Q97.3Very high92.7Very high22 Ų2246.8 Ų46.810%0.10323%0.233CC..EExtended strand (participates in β ladder)trans-77.2131.8167.9-170-178.830.600109.3I35 G38 N39 D40 K160 V161 V162 L193I35-Q191 PolarHBondContact O-NE2 3.24Å; G38-Q191 VanDerWaalsContact C-NE2 3.28Å; N39-Q191 WeakPolarHBondContact O-CG 3.34Å; N39-Q191 PolarHBondContact O-NE2 3.28Å; D40-Q191 VanDerWaalsContact OD1-CA 3.3Å; D40-Q191 WeakPolarHBondContact OD1-CA 3.41Å; K160-Q191 PolarHBondContact O-N 3.12Å; V161-Q191 WeakPolarHBondContact CA-O 3.37Å; V161-Q191 HydrophobicContact CG2-CB 4.33Å; V162-Q191 PolarHBondContact N-O 2.67Å; Q191-L193 HydrophobicContact CG-CD2 3.86Å; Q191-L193 HydrophobicContact CG-CG 4.38Å
192T97.3Very high92.4Very high37 Ų3746.4 Ų46.423%0.22723%0.233CC..EExtended strand (participates in β ladder)trans-120.5121.6178.1-55.70000110D40 V41 V162D40-T192 WeakPolarHBondContact CA-O 3.39Å; D40-T192 WeakPolarHBondContact CB-O 3.36Å; D40-T192 PolarHBondContact OD1-N 3.08Å; V41-T192 PolarHBondContact N-O 3.02Å; V162-T192 CarbonylContact O-C 3.54Å; V162-T192 WeakPolarHBondContact O-CA 3.43Å
193L98.1Very high92Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-115.7123.5-179.4-48.5-179.5000109.3I35 V41 F55 V161 V162 V163 L164 Q191 F195I35-L193 HydrophobicContact CD1-CD1 4.09Å; I35-L193 HydrophobicContact CD1-CD2 4.4Å; I35-L193 HydrophobicContact CG1-CD1 4.24Å; I35-L193 HydrophobicContact CG1-CD2 3.9Å; I35-L193 HydrophobicContact CG2-CD1 3.7Å; I35-L193 HydrophobicContact CG2-CD2 4.19Å; V41-L193 HydrophobicContact CB-CD2 4.05Å; V41-L193 HydrophobicContact CG2-CD2 4.29Å; V41-L193 CarbonylContact O-C 3.59Å; V41-L193 WeakPolarHBondContact O-CA 3.25Å; F55-L193 HydrophobicContact CB-CD1 4.03Å; V161-L193 HydrophobicContact CG1-CD1 3.97Å; V161-L193 HydrophobicContact CG1-CG 4.28Å; V162-L193 PolarHBondContact O-N 3.11Å; V163-L193 CarbonylContact C-O 3.59Å; V163-L193 VanDerWaalsContact CA-O 3.25Å; V163-L193 WeakPolarHBondContact CA-O 3.43Å; V163-L193 HydrophobicContact CG1-CB 4.45Å; V163-L193 HydrophobicContact CG2-CB 4.25Å; V163-L193 HydrophobicContact CG2-CD1 4.12Å; L164-L193 PolarHBondContact N-O 3.12Å; Q191-L193 HydrophobicContact CG-CD2 3.86Å; Q191-L193 HydrophobicContact CG-CG 4.38Å; L193-F195 HydrophobicContact CB-CD2 4.3Å; L193-F195 HydrophobicContact CB-CE2 3.84Å
194L97Very high91.9Very high8 Ų848.5 Ų48.54%0.04224%0.239CC..EExtended strand (participates in β ladder)trans-117.5116.5-179.5-172.3165000108.7V41 V42 A43 L164 A167 L171 V203V41-L194 PolarHBondContact O-N 3.29Å; V42-L194 CarbonylContact C-O 3.38Å; V42-L194 WeakPolarHBondContact CA-O 3.43Å; V42-L194 HydrophobicContact CG1-CD2 4.16Å; V42-L194 HydrophobicContact CG2-CB 4.15Å; A43-L194 PolarHBondContact N-O 2.87Å; L164-L194 HydrophobicContact CB-CG 4.42Å; A167-L194 HydrophobicContact CB-CD1 4.03Å; A167-L194 HydrophobicContact CB-CD2 3.14Å; A167-L194 HydrophobicContact CB-CG 3.37Å; L171-L194 HydrophobicContact CD1-CD1 4.41Å; L194-V203 HydrophobicContact CD2-CG1 3.98Å
195F95.7Very high91.8Very high0 Ų044.9 Ų44.90%023%0.234CC..EExtended strand (participates in β ladder)trans-112.6126.4178.9-76-92.3000110.2V27 I35 A43 K51 A54 F55 V163 L164 E166 A167 L193V27-F195 HydrophobicContact CG2-CE1 4.49Å; I35-F195 HydrophobicContact CD1-CZ 4Å; A43-F195 HydrophobicContact CB-CD1 3.6Å; A43-F195 HydrophobicContact CB-CE1 3.54Å; A43-F195 HydrophobicContact CB-CG 4.36Å; A43-F195 HydrophobicContact CB-CZ 4.26Å; A43-F195 WeakPolarHBondContact O-CA 3.42Å; K51-F195 HydrophobicContact CB-CD1 3.81Å; K51-F195 HydrophobicContact CB-CE1 4.37Å; K51-F195 HydrophobicContact CD-CB 4.2Å; K51-F195 HydrophobicContact CD-CD1 3.95Å; K51-F195 HydrophobicContact CG-CD1 4Å; A54-F195 HydrophobicContact CB-CE1 4.23Å; A54-F195 HydrophobicContact CB-CZ 4.46Å; F55-F195 HydrophobicContact CB-CD2 4.43Å; F55-F195 HydrophobicContact CB-CE2 3.6Å; F55-F195 HydrophobicContact CB-CZ 3.9Å; F55-F195 HydrophobicContact CD1-CD1 4.46Å; F55-F195 AromaticContact CD1-CD2 3.63Å; F55-F195 HydrophobicContact CD1-CD2 3.63Å; F55-F195 HydrophobicContact CD1-CE1 4.43Å; F55-F195 AromaticContact CD1-CE2 3.6Å; F55-F195 HydrophobicContact CD1-CE2 3.6Å; F55-F195 HydrophobicContact CD1-CG 4.08Å; F55-F195 HydrophobicContact CD1-CZ 4.01Å; F55-F195 HydrophobicContact CE1-CD2 4.32Å; F55-F195 HydrophobicContact CG-CD2 4.41Å; F55-F195 HydrophobicContact CG-CE2 4.03Å; F55-F195 HydrophobicContact CG-CZ 4.47Å; V163-F195 HydrophobicContact CG1-CD2 4.05Å; L164-F195 PolarHBondContact O-N 3.32Å; E166-F195 PolarHBondContact N-O 3.19Å; A167-F195 PolarHBondContact N-O 3.48Å; L193-F195 HydrophobicContact CB-CD2 4.3Å; L193-F195 HydrophobicContact CB-CE2 3.84Å
196S91.2Very high91.6Very high0 Ų045 Ų450%023%0.233CC..EExtended strand (participates in β ladder)trans-134.9152.4-178-171.10000112A43 C44 A45 D168 T198A43-S196 PolarHBondContact O-N 3.48Å; C44-S196 WeakPolarHBondContact CA-O 3.42Å; A45-S196 PolarHBondContact N-O 2.99Å; A45-S196 VanDerWaalsContact O-O 3.13Å; D168-S196 VanDerWaalsContact CB-OG 3.31Å; D168-S196 WeakPolarHBondContact CB-OG 3.26Å; D168-S196 VanDerWaalsContact CG-OG 3.26Å; D168-S196 PolarHBondContact N-OG 3.18Å; S196-T198 WeakPolarHBondContact CB-O 3.15Å; S196-T198 PolarHBondContact OG-N 2.95Å; S196-T198 PolarHBondContact OG-O 3.2Å
197A84.2Confident91.5Very high9 Ų944.5 Ų44.57%0.07423%0.23CC..SBendtrans-81.7-25.216900000112.6A45 T47 M230 H359A45-A197 WeakPolarHBondContact O-CA 3.37Å; T47-A197 HydrophobicContact CG2-CB 4.37Å; A197-M230 WeakPolarHBondContact O-CE 3.48Å; A197-H359 WeakPolarHBondContact CB-NE2 3.2Å
198T80.4Confident91.4Very high3 Ų347.3 Ų47.32%0.01824%0.241CC..SBendtrans-134144.2-177.868.50000111.3D168 S196 S200 A238 K355D168-T198 PolarHBondContact OD2-N 3.29Å; D168-T198 PolarHBondContact OD2-OG1 3.26Å; S196-T198 WeakPolarHBondContact CB-O 3.15Å; S196-T198 PolarHBondContact OG-N 2.95Å; S196-T198 PolarHBondContact OG-O 3.2Å; T198-S200 VanDerWaalsContact C-N 3.28Å; T198-S200 PolarHBondContact O-N 3.18Å; T198-S200 VanDerWaalsContact O-N 3.12Å; T198-A238 HydrophobicContact CG2-CB 4.04Å; T198-K355 HydrophobicContact CG2-CD 4.36Å; T198-K355 HydrophobicContact CG2-CG 4.35Å
199F85.9Confident91.5Very high48 Ų4841.4 Ų41.421%0.21123%0.225CC..  trans-87.371.3172.5-166.2-120.1000110.3C44 V203 K204 L207 L224C44-F199 HydrophobicContact CB-CB 4.47Å; C44-F199 VanDerWaalsContact SG-CD2 3.53Å; F199-V203 HydrophobicContact CD2-CB 4.46Å; F199-V203 HydrophobicContact CD2-CG1 3.78Å; F199-V203 HydrophobicContact CE2-CG1 4.01Å; F199-K204 HydrophobicContact CE1-CB 4.16Å; F199-K204 HydrophobicContact CE1-CD 4.42Å; F199-K204 HydrophobicContact CE1-CG 4.2Å; F199-K204 HydrophobicContact CZ-CB 4.06Å; F199-K204 HydrophobicContact CZ-CG 4.18Å; F199-L207 HydrophobicContact CE2-CD2 4.1Å; F199-L207 HydrophobicContact CZ-CD2 3.95Å; F199-L224 HydrophobicContact CD2-CD1 4.33Å; F199-L224 HydrophobicContact CE2-CD1 3.8Å; F199-L224 HydrophobicContact CE2-CD2 4.4Å; F199-L224 HydrophobicContact CZ-CD1 4.36Å; F199-L224 HydrophobicContact CZ-CD2 4.14Å
200S84.2Confident91.5Very high6 Ų632.8 Ų32.84%0.04220%0.202CC..  trans-74.5167.3-174.881.30000113.6E172 T198 A202 V203 K204E172-S200 WeakPolarHBondContact OE1-CB 3.31Å; E172-S200 PolarHBondContact OE1-OG 3.37Å; T198-S200 VanDerWaalsContact C-N 3.28Å; T198-S200 PolarHBondContact O-N 3.18Å; T198-S200 VanDerWaalsContact O-N 3.12Å; S200-A202 PolarHBondContact O-N 2.99Å; S200-A202 PolarHBondContact OG-N 3.43Å; S200-V203 PolarHBondContact O-N 3.19Å; S200-V203 VanDerWaalsContact O-N 3.15Å; S200-V203 PolarHBondContact OG-N 2.95Å; S200-K204 WeakPolarHBondContact O-CB 3.17Å; S200-K204 PolarHBondContact O-N 3.02Å
201G87Confident91.5Very high51 Ų5132.6 Ų32.653%0.52620%0.202SC..Hα-helixtrans-54.6-39.4171.900000112.5K204 S205G201-K204 PolarHBondContact O-N 3.1Å; G201-S205 WeakPolarHBondContact O-CB 3.35Å; G201-S205 PolarHBondContact O-N 3.13Å; G201-S205 PolarHBondContact O-OG 3.02Å; G201-S205 VanDerWaalsContact O-OG 3.05Å
202A88.7Confident91.3Very high27 Ų2735.2 Ų35.222%0.22322%0.223CC..Hα-helixtrans-66.5-42.9176.800000112.5L171 E172 S200 S205 S206L171-A202 HydrophobicContact CB-CB 3.81Å; E172-A202 HydrophobicContact CG-CB 3.63Å; S200-A202 PolarHBondContact O-N 2.99Å; S200-A202 PolarHBondContact OG-N 3.43Å; A202-S205 PolarHBondContact O-N 3.21Å; A202-S206 WeakPolarHBondContact O-CB 3.33Å; A202-S206 PolarHBondContact O-N 3.46Å
203V90.4Very high91Very high0 Ų036.7 Ų36.70%023%0.232CC..Hα-helixtrans-63.7-43.2174.9175.60000110.9V42 D168 L171 L194 F199 S200 S206 L207V42-V203 HydrophobicContact CG1-CG1 4.12Å; D168-V203 HydrophobicContact CB-CG2 4.04Å; L171-V203 HydrophobicContact CD1-CG2 4.25Å; L194-V203 HydrophobicContact CD2-CG1 3.98Å; F199-V203 HydrophobicContact CD2-CB 4.46Å; F199-V203 HydrophobicContact CD2-CG1 3.78Å; F199-V203 HydrophobicContact CE2-CG1 4.01Å; S200-V203 PolarHBondContact O-N 3.19Å; S200-V203 VanDerWaalsContact O-N 3.15Å; S200-V203 PolarHBondContact OG-N 2.95Å; V203-S206 PolarHBondContact O-N 3.46Å; V203-L207 PolarHBondContact O-N 3.35Å
204K92Very high90.7Very high119 Ų11936.7 Ų36.752%0.51723%0.232SC..Hα-helixtrans-60.7-49.1176.1-175.2178.5179.7178.70111.3F199 S200 G201 S206 L207 E208F199-K204 HydrophobicContact CE1-CB 4.16Å; F199-K204 HydrophobicContact CE1-CD 4.42Å; F199-K204 HydrophobicContact CE1-CG 4.2Å; F199-K204 HydrophobicContact CZ-CB 4.06Å; F199-K204 HydrophobicContact CZ-CG 4.18Å; S200-K204 WeakPolarHBondContact O-CB 3.17Å; S200-K204 PolarHBondContact O-N 3.02Å; G201-K204 PolarHBondContact O-N 3.1Å; K204-S206 VanDerWaalsContact C-N 3.3Å; K204-S206 PolarHBondContact O-N 2.7Å; K204-L207 PolarHBondContact O-N 3.49Å; K204-E208 WeakPolarHBondContact O-CG 3.33Å; K204-E208 PolarHBondContact O-N 2.84Å
205S92.7Very high90.5Very high83 Ų8343 Ų4358%0.5826%0.256SS*.Hα-helixtrans-59.9-40176.2-64.50000112.1G201 A202 E208 A209G201-S205 WeakPolarHBondContact O-CB 3.35Å; G201-S205 PolarHBondContact O-N 3.13Å; G201-S205 PolarHBondContact O-OG 3.02Å; G201-S205 VanDerWaalsContact O-OG 3.05Å; A202-S205 PolarHBondContact O-N 3.21Å; S205-E208 PolarHBondContact O-N 3.24Å; S205-A209 WeakPolarHBondContact O-CB 3.46Å; S205-A209 PolarHBondContact O-N 3.46Å
206S92.3Very high90.3Very high36 Ų3647 Ų4725%0.25229%0.29SS..Hα-helixtrans-65.1-40175.4-171.70000112.4A202 V203 K204 A210A202-S206 WeakPolarHBondContact O-CB 3.33Å; A202-S206 PolarHBondContact O-N 3.46Å; V203-S206 PolarHBondContact O-N 3.46Å; K204-S206 VanDerWaalsContact C-N 3.3Å; K204-S206 PolarHBondContact O-N 2.7Å; S206-A210 WeakPolarHBondContact O-CB 3.13Å; S206-A210 PolarHBondContact O-N 3.18Å
207L93.5Very high90.3Very high2 Ų251.3 Ų51.31%0.0131%0.31CS..Hα-helixtrans-63.5-47.1175.9172.767.6000110.8V42 F199 V203 K204 A210 K211 P222 L224V42-L207 HydrophobicContact CB-CD1 4.05Å; V42-L207 HydrophobicContact CG2-CB 4.44Å; V42-L207 HydrophobicContact CG2-CD1 3.54Å; F199-L207 HydrophobicContact CE2-CD2 4.1Å; F199-L207 HydrophobicContact CZ-CD2 3.95Å; V203-L207 PolarHBondContact O-N 3.35Å; K204-L207 PolarHBondContact O-N 3.49Å; L207-A210 PolarHBondContact O-N 3.02Å; L207-K211 HydrophobicContact CD1-CG 4.38Å; L207-K211 HydrophobicContact CG-CD 4.39Å; L207-K211 WeakPolarHBondContact O-CG 3.49Å; L207-K211 PolarHBondContact O-N 3.04Å; L207-P222 HydrophobicContact CD1-CB 4.1Å; L207-P222 HydrophobicContact CD1-CG 3.65Å; L207-L224 HydrophobicContact CD2-CB 4.33Å; L207-L224 HydrophobicContact CD2-CD1 4.16Å; L207-L224 HydrophobicContact CD2-CD2 4.09Å; L207-L224 HydrophobicContact CD2-CG 4.44Å
208E94.3Very high90.6Very high89 Ų8958.6 Ų58.642%0.41635%0.347SS..Hα-helixtrans-65.8-38.6179.8-66.1-50.3129.100112.1K204 S205 K211 S212K204-E208 WeakPolarHBondContact O-CG 3.33Å; K204-E208 PolarHBondContact O-N 2.84Å; S205-E208 PolarHBondContact O-N 3.24Å; E208-K211 PolarHBondContact O-N 3.03Å; E208-K211 IonicContact OE1-NZ 2.76Å; E208-K211 PolarHBondContact OE1-NZ 3.09Å; E208-S212 WeakPolarHBondContact O-CB 3.27Å; E208-S212 PolarHBondContact O-N 3.2Å
209A92.9Very high91Very high56 Ų5662 Ų6246%0.46336%0.36SS..Hα-helixtrans-61.4-44.9171.700000111.8S205 S212 V213S205-A209 WeakPolarHBondContact O-CB 3.46Å; S205-A209 PolarHBondContact O-N 3.46Å; A209-S212 PolarHBondContact O-N 3.27Å; A209-V213 WeakPolarHBondContact O-CG2 3.47Å; A209-V213 PolarHBondContact O-N 3.22Å
210A92Very high91.2Very high41 Ų4166.4 Ų66.434%0.33938%0.375SS..Hα-helixtrans-65-40.2178.400000112.5S206 L207 V213 A214 P222S206-A210 WeakPolarHBondContact O-CB 3.13Å; S206-A210 PolarHBondContact O-N 3.18Å; L207-A210 PolarHBondContact O-N 3.02Å; A210-V213 PolarHBondContact O-N 2.65Å; A210-A214 WeakPolarHBondContact O-CB 3.16Å; A210-A214 PolarHBondContact O-N 3.23Å; A210-P222 HydrophobicContact CB-CG 3.95Å
211K93.9Very high91.7Very high47 Ų4767.8 Ų67.820%0.20438%0.384CS..Hα-helixtrans-60.2-48.1172.2-73.8177.4-178.11670111.5L207 E208 V213 A214 Y215 P221 P222L207-K211 HydrophobicContact CD1-CG 4.38Å; L207-K211 HydrophobicContact CG-CD 4.39Å; L207-K211 WeakPolarHBondContact O-CG 3.49Å; L207-K211 PolarHBondContact O-N 3.04Å; E208-K211 PolarHBondContact O-N 3.03Å; E208-K211 IonicContact OE1-NZ 2.76Å; E208-K211 PolarHBondContact OE1-NZ 3.09Å; K211-V213 VanDerWaalsContact C-N 3.34Å; K211-V213 PolarHBondContact O-N 3.45Å; K211-A214 PolarHBondContact O-N 2.92Å; K211-A214 VanDerWaalsContact O-N 3.16Å; K211-Y215 HydrophobicContact CB-CD2 4.36Å; K211-Y215 HydrophobicContact CB-CE2 3.96Å; K211-Y215 WeakPolarHBondContact O-CD2 3.46Å; K211-Y215 PolarHBondContact O-N 3.14Å; K211-P221 HydrophobicContact CG-CB 4.08Å; K211-P222 HydrophobicContact CG-CG 3.96Å
212S93.6Very high92Very high77 Ų7765.9 Ų65.954%0.53836%0.362SS..Hα-helixtrans-56.5-46.5178.8-177.30000111.9E208 A209 Y215 A216E208-S212 WeakPolarHBondContact O-CB 3.27Å; E208-S212 PolarHBondContact O-N 3.2Å; A209-S212 PolarHBondContact O-N 3.27Å; S212-Y215 PolarHBondContact O-N 3.26Å; S212-A216 WeakPolarHBondContact O-CB 3.43Å; S212-A216 PolarHBondContact O-N 2.96Å
213V91.3Very high92.3Very high68 Ų6866.9 Ų66.941%0.41236%0.364SS..Hα-helixtrans-63.7-43.9175.6175.10000111.6A209 A210 K211 Y215 A216 E217A209-V213 WeakPolarHBondContact O-CG2 3.47Å; A209-V213 PolarHBondContact O-N 3.22Å; A210-V213 PolarHBondContact O-N 2.65Å; K211-V213 VanDerWaalsContact C-N 3.34Å; K211-V213 PolarHBondContact O-N 3.45Å; V213-Y215 VanDerWaalsContact C-N 3.35Å; V213-Y215 PolarHBondContact O-N 3.17Å; V213-A216 PolarHBondContact O-N 3.32Å; V213-E217 HydrophobicContact CG1-CG 4.44Å; V213-E217 WeakPolarHBondContact O-CB 3.29Å; V213-E217 WeakPolarHBondContact O-CG 3.44Å; V213-E217 PolarHBondContact O-N 3.24Å
214A91.2Very high92.5Very high1 Ų170.2 Ų70.21%0.00838%0.381CS..Hα-helixtrans-61.2-43178.700000112A210 K211 E217 N218 R219 P221A210-A214 WeakPolarHBondContact O-CB 3.16Å; A210-A214 PolarHBondContact O-N 3.23Å; K211-A214 PolarHBondContact O-N 2.92Å; K211-A214 VanDerWaalsContact O-N 3.16Å; A214-E217 CarbonylContact O-C 3.54Å; A214-E217 PolarHBondContact O-N 3.26Å; A214-N218 PolarHBondContact O-N 3.5Å; A214-N218 VanDerWaalsContact O-N 3.15Å; A214-R219 HydrophobicContact CB-CB 4.42Å; A214-R219 PolarHBondContact O-N 3.31Å; A214-P221 HydrophobicContact CB-CB 4.4Å
215Y92.7Very high92.6Very high140 Ų14066.4 Ų66.455%0.54936%0.363SS..Hα-helixtrans-64.1-44.5175.4-65.9-48.3000112.3K211 S212 V213 E217 N218 P221K211-Y215 HydrophobicContact CB-CD2 4.36Å; K211-Y215 HydrophobicContact CB-CE2 3.96Å; K211-Y215 WeakPolarHBondContact O-CD2 3.46Å; K211-Y215 PolarHBondContact O-N 3.14Å; S212-Y215 PolarHBondContact O-N 3.26Å; V213-Y215 VanDerWaalsContact C-N 3.35Å; V213-Y215 PolarHBondContact O-N 3.17Å; Y215-E217 PolarHBondContact O-N 2.89Å; Y215-N218 PolarHBondContact O-N 3.5Å; Y215-P221 HydrophobicContact CE1-CB 4.15Å; Y215-P221 HydrophobicContact CE1-CG 3.88Å
216A92.4Very high92.3Very high85 Ų8564.1 Ų64.170%0.70234%0.343SS*.Hα-helixtrans-61.8-29177.300000112.9S212 V213S212-A216 WeakPolarHBondContact O-CB 3.43Å; S212-A216 PolarHBondContact O-N 2.96Å; V213-A216 PolarHBondContact O-N 3.32Å
217E90.4Very high91.8Very high90 Ų9062.9 Ų62.942%0.42134%0.335SS..THydrogen-bonded Turntrans-988.7179.9-65.6-179.3170.200113.8V213 A214 Y215 R219V213-E217 HydrophobicContact CG1-CG 4.44Å; V213-E217 WeakPolarHBondContact O-CB 3.29Å; V213-E217 WeakPolarHBondContact O-CG 3.44Å; V213-E217 PolarHBondContact O-N 3.24Å; A214-E217 CarbonylContact O-C 3.54Å; A214-E217 PolarHBondContact O-N 3.26Å; Y215-E217 PolarHBondContact O-N 2.89Å; E217-R219 VanDerWaalsContact C-N 3.25Å; E217-R219 HydrophobicContact CB-CG 4.22Å; E217-R219 PolarHBondContact O-N 3.49Å; E217-R219 IonicContact OE2-CZ 3.29Å; E217-R219 IonicContact OE2-NE 2.64Å; E217-R219 PolarHBondContact OE2-NE 3.08Å; E217-R219 IonicContact OE2-NH2 3.5Å; E217-R219 PolarHBondContact OE2-NH2 2.87Å
218N90.2Very high90.8Very high161 Ų16170 Ų7086%0.86137%0.368SS*.THydrogen-bonded Turntrans51.540.7-175-71.2-38.4000113.7A214 Y215A214-N218 PolarHBondContact O-N 3.5Å; A214-N218 VanDerWaalsContact O-N 3.15Å; Y215-N218 PolarHBondContact O-N 3.5Å
219R89.1Confident89.3Confident74 Ų7469 Ų6928%0.27937%0.37SS..  trans-108160175.1-64.7-170.9-66.2100.9-0.7110.9D40 A214 E217D40-R219 IonicContact OD2-NH1 2.7Å; A214-R219 HydrophobicContact CB-CB 4.42Å; A214-R219 PolarHBondContact O-N 3.31Å; E217-R219 VanDerWaalsContact C-N 3.25Å; E217-R219 HydrophobicContact CB-CG 4.22Å; E217-R219 PolarHBondContact O-N 3.49Å; E217-R219 IonicContact OE2-CZ 3.29Å; E217-R219 IonicContact OE2-NE 2.64Å; E217-R219 PolarHBondContact OE2-NE 3.08Å; E217-R219 IonicContact OE2-NH2 3.5Å; E217-R219 PolarHBondContact OE2-NH2 2.87Å
220R91.4Very high87.9Confident142 Ų14267.6 Ų67.654%0.53635%0.354SS..PPolyproline II helixtrans-62129.2171.9-164.9-177.8-174.1169.31.5109.2E37 N39E37-R220 IonicContact OE2-NH1 2.69Å; N39-R220 VanDerWaalsContact CG-NH1 3.28Å; N39-R220 PolarHBondContact ND2-NH1 2.89Å; N39-R220 WeakPolarHBondContact OD1-CD 3.43Å; N39-R220 PolarHBondContact OD1-NH1 3.25Å
221P94.1Very high86.3Confident35 Ų3569.8 Ų69.823%0.22736%0.363CS..PPolyproline II helixtrans-67.6157.4175.628.6-35.1000111.1K211 A214 Y215 I223K211-P221 HydrophobicContact CG-CB 4.08Å; A214-P221 HydrophobicContact CB-CB 4.4Å; Y215-P221 HydrophobicContact CE1-CB 4.15Å; Y215-P221 HydrophobicContact CE1-CG 3.88Å; P221-I223 PolarHBondContact O-N 3.3Å
222P94.1Very high83.8Confident11 Ų1172.3 Ų72.37%0.07138%0.383CS..PPolyproline II helixtrans-59.9136.4175.924.7-35.3000111.7D40 V42 L207 A210 K211D40-P222 HydrophobicContact CB-CB 3.82Å; D40-P222 WeakPolarHBondContact O-CA 3.1Å; V42-P222 HydrophobicContact CG2-CB 4.28Å; L207-P222 HydrophobicContact CD1-CB 4.1Å; L207-P222 HydrophobicContact CD1-CG 3.65Å; A210-P222 HydrophobicContact CB-CG 3.95Å; K211-P222 HydrophobicContact CG-CG 3.96Å
223I95Very high81.3Confident48 Ų4870.7 Ų70.725%0.24637%0.371CS..EExtended strand (participates in β ladder)trans-83.2126.2177-67.6163.5000108.8V34 N39 D40 V41 V42 P221V34-I223 HydrophobicContact CG1-CB 4.22Å; V34-I223 HydrophobicContact CG1-CD1 3.36Å; V34-I223 HydrophobicContact CG1-CG1 4.36Å; V34-I223 HydrophobicContact CG1-CG2 4.39Å; N39-I223 HydrophobicContact CB-CD1 3.99Å; D40-I223 PolarHBondContact O-N 3.48Å; V41-I223 CarbonylContact C-O 3.55Å; V41-I223 WeakPolarHBondContact CA-O 3.36Å; V42-I223 PolarHBondContact N-O 2.81Å; P221-I223 PolarHBondContact O-N 3.3Å
224L94.1Very high78.9Confident70 Ų7073.7 Ų73.737%0.36640%0.395SS..EExtended strand (participates in β ladder)trans-88.7120.5174.3177.864.2000109.4V42 F199 L207 Q226V42-L224 HydrophobicContact CB-CD1 4.09Å; V42-L224 HydrophobicContact CG1-CD1 3.72Å; V42-L224 CarbonylContact O-C 3.6Å; V42-L224 WeakPolarHBondContact O-CA 3.39Å; V42-L224 WeakPolarHBondContact O-CD1 3.31Å; F199-L224 HydrophobicContact CD2-CD1 4.33Å; F199-L224 HydrophobicContact CE2-CD1 3.8Å; F199-L224 HydrophobicContact CE2-CD2 4.4Å; F199-L224 HydrophobicContact CZ-CD1 4.36Å; F199-L224 HydrophobicContact CZ-CD2 4.14Å; L207-L224 HydrophobicContact CD2-CB 4.33Å; L207-L224 HydrophobicContact CD2-CD1 4.16Å; L207-L224 HydrophobicContact CD2-CD2 4.09Å; L207-L224 HydrophobicContact CD2-CG 4.44Å; L224-Q226 HydrophobicContact CD1-CG 3.98Å; L224-Q226 HydrophobicContact CD2-CG 4.47Å; L224-Q226 HydrophobicContact CG-CG 4.05Å
225W93.3Very high76.7Confident39 Ų3977.1 Ų77.115%0.14842%0.419CS..EExtended strand (participates in β ladder)trans-111.1127.9169.8-174.389.2000110.1E26 V27 V42 A43 C44 A45 P227E26-W225 HydrophobicContact CB-CH2 4.49Å; E26-W225 HydrophobicContact CB-CZ2 4.37Å; E26-W225 HydrophobicContact CG-CH2 4.36Å; E26-W225 HydrophobicContact CG-CZ2 3.96Å; E26-W225 VanDerWaalsContact O-CZ2 3.27Å; E26-W225 WeakPolarHBondContact O-CZ2 3.45Å; V27-W225 HydrophobicContact CB-CE3 4.23Å; V27-W225 HydrophobicContact CB-CH2 3.54Å; V27-W225 HydrophobicContact CB-CZ2 4.19Å; V27-W225 HydrophobicContact CB-CZ3 3.57Å; V27-W225 HydrophobicContact CG2-CD2 4.47Å; V27-W225 HydrophobicContact CG2-CE3 3.76Å; V27-W225 HydrophobicContact CG2-CH2 4.03Å; V27-W225 HydrophobicContact CG2-CZ3 3.53Å; V42-W225 PolarHBondContact O-N 3.32Å; A43-W225 WeakPolarHBondContact CA-O 3.26Å; A43-W225 HydrophobicContact CB-CE3 4.36Å; C44-W225 PolarHBondContact N-O 3.5Å; A45-W225 HydrophobicContact CB-CZ3 3.77Å; W225-P227 HydrophobicContact CH2-CB 4.29Å
226Q87.1Confident74.6Confident34 Ų3474.3 Ų74.316%0.15942%0.424CS..  trans-142.5145.5172.4-53.9-170.16.200108.4C44 L224 M230 T231C44-Q226 HydrophobicContact CB-CG 4.1Å; L224-Q226 HydrophobicContact CD1-CG 3.98Å; L224-Q226 HydrophobicContact CD2-CG 4.47Å; L224-Q226 HydrophobicContact CG-CG 4.05Å; Q226-M230 HydrophobicContact CB-CB 4.18Å; Q226-T231 HydrophobicContact CB-CG2 4.09Å
227P81.1Confident72.7Confident11 Ų1171 Ų717%0.07140%0.399CS..  trans-65152.6170.630.3-35.1000109.6E26 C44 W225 C229 M230 T231E26-P227 WeakPolarHBondContact OE1-CA 3.39Å; E26-P227 VanDerWaalsContact OE1-CB 3.3Å; E26-P227 WeakPolarHBondContact OE1-CB 3.35Å; C44-P227 WeakPolarHBondContact O-CD 3.45Å; W225-P227 HydrophobicContact CH2-CB 4.29Å; P227-C229 PolarHBondContact O-N 3.15Å; P227-C229 VanDerWaalsContact O-N 3.11Å; P227-M230 HydrophobicContact CG-CB 4.12Å; P227-M230 HydrophobicContact CG-CG 4.34Å; P227-M230 WeakPolarHBondContact O-CB 3.28Å; P227-M230 PolarHBondContact O-N 2.6Å; P227-T231 PolarHBondContact O-N 3.35Å
228E72.3Confident71.1Confident152 Ų15267 Ų6771%0.7138%0.381SS*.Hα-helixtrans-56.7-32.1-178.1-168.1172.3-166.400112.5M230 T231 T232E228-M230 PolarHBondContact O-N 3.33Å; E228-T231 WeakPolarHBondContact CA-OG1 3.4Å; E228-T231 PolarHBondContact O-N 3.09Å; E228-T231 PolarHBondContact O-OG1 2.75Å; E228-T232 PolarHBondContact O-N 3Å; E228-T232 PolarHBondContact O-OG1 3.36Å
229C62.6Low69.8Low68 Ų6862.7 Ų62.746%0.45936%0.36SS..Hα-helixtrans-66.2-2117666.50000114.4P227 C233P227-C229 PolarHBondContact O-N 3.15Å; P227-C229 VanDerWaalsContact O-N 3.11Å; C229-C233 PolarHBondContact O-SG 3.13Å
230M63.2Low68.9Low26 Ų2660.1 Ų60.113%0.12835%0.353CS..Hα-helixtrans-86-32173.8-102.3-174-167.100112.4C44 A197 Q226 P227 E228 C233C44-M230 HydrophobicContact CB-SD 3.73Å; A197-M230 WeakPolarHBondContact O-CE 3.48Å; Q226-M230 HydrophobicContact CB-CB 4.18Å; P227-M230 HydrophobicContact CG-CB 4.12Å; P227-M230 HydrophobicContact CG-CG 4.34Å; P227-M230 WeakPolarHBondContact O-CB 3.28Å; P227-M230 PolarHBondContact O-N 2.6Å; E228-M230 PolarHBondContact O-N 3.33Å; M230-C233 PolarHBondContact O-N 2.93Å
231T59Low68.1Low86 Ų8655.3 Ų55.353%0.52834%0.339SS..Hα-helixtrans-73.4-31.1-177.151.90000112.3Q226 P227 E228 C233Q226-T231 HydrophobicContact CB-CG2 4.09Å; P227-T231 PolarHBondContact O-N 3.35Å; E228-T231 WeakPolarHBondContact CA-OG1 3.4Å; E228-T231 PolarHBondContact O-N 3.09Å; E228-T231 PolarHBondContact O-OG1 2.75Å; T231-C233 VanDerWaalsContact C-N 3.31Å; T231-C233 PolarHBondContact O-N 3.04Å
232T42.1Very low67.3Low100 Ų10063 Ų6361%0.61337%0.372SS*.SBendtrans-75.3-17.7177.5540000113.8E228 S234E228-T232 PolarHBondContact O-N 3Å; E228-T232 PolarHBondContact O-OG1 3.36Å; T232-S234 PolarHBondContact O-N 3.48Å
233C41.9Very low66.8Low44 Ų4465.3 Ų65.330%0.29739%0.386SS..  trans-81.185.5175.2-66.20000109.7C229 M230 T231 S235C229-C233 PolarHBondContact O-SG 3.13Å; M230-C233 PolarHBondContact O-N 2.93Å; T231-C233 VanDerWaalsContact C-N 3.31Å; T231-C233 PolarHBondContact O-N 3.04Å; C233-S235 CarbonylContact C-O 3.55Å; C233-S235 CarbonylContact O-C 3.55Å; C233-S235 PolarHBondContact O-N 3.39Å
234S40.4Very low66.5Low131 Ų13163.1 Ų63.192%0.91638%0.375SS*.SBendtrans-60-12.1177.4-38.20000113.7T232T232-S234 PolarHBondContact O-N 3.48Å
235S45Very low66.4Low73 Ų7362.5 Ų62.551%0.5138%0.376SS..SBendtrans-103.3130.616452.40000108.8C233 G237C233-S235 CarbonylContact C-O 3.55Å; C233-S235 CarbonylContact O-C 3.55Å; C233-S235 PolarHBondContact O-N 3.39Å; S235-G237 PolarHBondContact O-N 2.89Å
236A49Very low66.5Low80 Ų8061 Ų6166%0.66137%0.371SS*.  trans-59.133.1-175.200000117.4F391A236-F391 WeakPolarHBondContact O-CE2 3.06Å
237G51.1Low67Low16 Ų1662.4 Ų62.417%0.16538%0.375CS..PPolyproline II helixtrans-87.5135.4-179.400000112S235 F391S235-G237 PolarHBondContact O-N 2.89Å; G237-F391 WeakPolarHBondContact CA-O 3.14Å
238A56.9Low67.7Low6 Ų664.2 Ų64.25%0.0538%0.381CS..PPolyproline II helixtrans-82.7133.8176.100000110.8T198 V358 F391T198-A238 HydrophobicContact CG2-CB 4.04Å; A238-V358 HydrophobicContact CB-CG1 4Å; A238-V358 HydrophobicContact CB-CG2 4.21Å; A238-F391 HydrophobicContact CB-CE1 4.05Å; A238-F391 HydrophobicContact CB-CZ 4.28Å
239V62.2Low68.9Low70 Ų7057.2 Ų57.242%0.42435%0.349SS..PPolyproline II helixtrans-78.5127179.4-178.60000110.1
240T70.3Confident70.4Confident20 Ų2057.9 Ų57.912%0.12335%0.347CS..PPolyproline II helixtrans-80.5149.1166.153.30000109.6L244 Q246 V361 I392T240-L244 HydrophobicContact CG2-CD2 4.33Å; T240-Q246 PolarHBondContact OG1-NE2 3.34Å; T240-V361 HydrophobicContact CG2-CG2 3.96Å; T240-I392 HydrophobicContact CG2-CG2 4.45Å
241V74.8Confident71.9Confident42 Ų4257.1 Ų57.126%0.25534%0.343SS..PPolyproline II helixtrans-65145.6-179.7-63.30000111.5K46 T243 L244 A365K46-V241 HydrophobicContact CD-CG1 4.34Å; V241-T243 VanDerWaalsContact C-N 3.28Å; V241-T243 PolarHBondContact O-N 3.14Å; V241-L244 HydrophobicContact CG2-CB 3.81Å; V241-L244 VanDerWaalsContact O-CB 3.26Å; V241-L244 WeakPolarHBondContact O-CB 3.32Å; V241-L244 PolarHBondContact O-N 3.04Å; V241-L244 VanDerWaalsContact O-N 3.12Å; V241-A365 HydrophobicContact CG2-CB 3.57Å
242E78Confident73.6Confident196 Ų19659.8 Ų59.892%0.91634%0.344SS*.THydrogen-bonded Turntrans-63.6-32.5-176.5-65-176.2170.200113.2L244E242-L244 PolarHBondContact O-N 3.04Å; E242-L244 VanDerWaalsContact O-N 3.11Å
243T84.4Confident76Confident59 Ų5956.5 Ų56.536%0.36232%0.324SS..THydrogen-bonded Turntrans-70-3.6177.8610000113.7V241 K369 A370 G371V241-T243 VanDerWaalsContact C-N 3.28Å; V241-T243 PolarHBondContact O-N 3.14Å; T243-K369 PolarHBondContact OG1-O 3.49Å; T243-K369 VanDerWaalsContact OG1-O 3.09Å; T243-A370 WeakPolarHBondContact O-CA 3.12Å; T243-G371 PolarHBondContact O-N 2.84Å
244L88.5Confident78.4Confident3 Ų359.7 Ų59.72%0.01633%0.334CS..EExtended strand (participates in β ladder)trans-90.3110.5178.1-177.964.2000111.4T240 V241 E242 Q246 V361 T364 A365 A373T240-L244 HydrophobicContact CG2-CD2 4.33Å; V241-L244 HydrophobicContact CG2-CB 3.81Å; V241-L244 VanDerWaalsContact O-CB 3.26Å; V241-L244 WeakPolarHBondContact O-CB 3.32Å; V241-L244 PolarHBondContact O-N 3.04Å; V241-L244 VanDerWaalsContact O-N 3.12Å; E242-L244 PolarHBondContact O-N 3.04Å; E242-L244 VanDerWaalsContact O-N 3.11Å; L244-Q246 HydrophobicContact CD2-CG 3.7Å; L244-Q246 HydrophobicContact CG-CG 3.59Å; L244-Q246 PolarHBondContact O-NE2 2.92Å; L244-V361 HydrophobicContact CD2-CB 3.68Å; L244-V361 HydrophobicContact CD2-CG2 3.51Å; L244-T364 HydrophobicContact CD1-CG2 3.35Å; L244-A365 HydrophobicContact CB-CB 3.91Å; L244-A365 HydrophobicContact CD1-CB 4.05Å; L244-A373 HydrophobicContact CD1-CB 4.06Å
245S92.2Very high81Confident56 Ų5655.2 Ų55.239%0.39230%0.299SS..EExtended strand (participates in β ladder)trans-80124.7168.8-64.70000109.9G371 L372 A373S245-G371 PolarHBondContact N-O 3.43Å; S245-L372 CarbonylContact O-C 3.5Å; S245-A373 PolarHBondContact O-N 3.19Å
246Q94.5Very high83.4Confident7 Ų752.1 Ų52.13%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-126.2121.7-171-58.9166.861.600109.5T240 L244 Y357 A373 L396T240-Q246 PolarHBondContact OG1-NE2 3.34Å; L244-Q246 HydrophobicContact CD2-CG 3.7Å; L244-Q246 HydrophobicContact CG-CG 3.59Å; L244-Q246 PolarHBondContact O-NE2 2.92Å; Q246-Y357 PolarHBondContact OE1-OH 3.14Å; Q246-Y357 VanDerWaalsContact OE1-OH 3.1Å; Q246-A373 WeakPolarHBondContact CA-O 3.45Å; Q246-A373 HydrophobicContact CG-CB 4.25Å; Q246-L396 HydrophobicContact CB-CD2 3.39Å; Q246-L396 HydrophobicContact CG-CD2 4.43Å
247Y96.7Very high85.6Confident64 Ų6448.8 Ų48.825%0.25125%0.247SC..EExtended strand (participates in β ladder)trans-132.8164.4180-52.7-95.5000112L372 A373 L374 T375 K397 F399Y247-L372 HydrophobicContact CD2-CD1 3.44Å; Y247-L372 VanDerWaalsContact CD2-CD1 3.44Å; Y247-L372 HydrophobicContact CE2-CD1 3.49Å; Y247-L372 VanDerWaalsContact CE2-CD1 3.49Å; Y247-A373 PolarHBondContact N-O 3.2Å; Y247-L374 HydrophobicContact CD2-CD2 4.02Å; Y247-L374 HydrophobicContact CG-CD2 4.26Å; Y247-L374 CarbonylContact O-C 3.59Å; Y247-L374 WeakPolarHBondContact O-CA 3.39Å; Y247-T375 PolarHBondContact O-N 3.38Å; Y247-K397 CarbonylContact C-O 3.55Å; Y247-K397 WeakPolarHBondContact CA-O 3.34Å; Y247-K397 VanDerWaalsContact CB-O 3.32Å; Y247-K397 WeakPolarHBondContact CB-O 3Å; Y247-K397 HydrophobicContact CD1-CB 3.65Å; Y247-K397 HydrophobicContact CE1-CB 3.86Å; Y247-K397 HydrophobicContact CE1-CD 4.41Å; Y247-F399 HydrophobicContact CD1-CB 4.43Å; Y247-F399 HydrophobicContact CD1-CD2 4.16Å; Y247-F399 AromaticContact CD2-CD2 3.91Å; Y247-F399 HydrophobicContact CD2-CD2 3.91Å; Y247-F399 HydrophobicContact CE2-CD2 4.33Å; Y247-F399 HydrophobicContact CG-CB 4.19Å; Y247-F399 AromaticContact CG-CD2 3.82Å; Y247-F399 HydrophobicContact CG-CD2 3.82Å
248Y97Very high87.8Confident50 Ų5048.1 Ų48.120%0.19624%0.24CC..EExtended strand (participates in β ladder)trans-126.3152.8166.676.8-81.4000110.9L250 T375 C377 L385 L396 K397 T398 F399Y248-L250 HydrophobicContact CD2-CB 4.41Å; Y248-L250 HydrophobicContact CE2-CB 4.07Å; Y248-T375 CarbonylContact C-O 3.47Å; Y248-T375 WeakPolarHBondContact CA-O 3.42Å; Y248-T375 WeakPolarHBondContact CB-O 3.37Å; Y248-C377 HydrophobicContact CD2-CB 4.47Å; Y248-L385 HydrophobicContact CD1-CD2 4.18Å; Y248-L385 HydrophobicContact CD2-CD2 3.72Å; Y248-L385 HydrophobicContact CE2-CD2 4.11Å; Y248-L385 HydrophobicContact CG-CD2 3.75Å; Y248-L396 HydrophobicContact CD1-CB 3.91Å; Y248-L396 VanDerWaalsContact CE1-O 3.28Å; Y248-L396 WeakPolarHBondContact CE1-O 3.21Å; Y248-K397 WeakPolarHBondContact CD1-O 3.33Å; Y248-K397 PolarHBondContact N-O 2.97Å; Y248-T398 HydrophobicContact CE1-CG2 3.7Å; Y248-T398 HydrophobicContact CE2-CG2 3.97Å; Y248-T398 CarbonylContact O-C 3.28Å; Y248-T398 WeakPolarHBondContact O-CA 3.3Å; Y248-T398 WeakPolarHBondContact OH-CG2 3.48Å; Y248-F399 PolarHBondContact O-N 3Å
249I96.6Very high89.7Confident5 Ų548.3 Ų48.33%0.02624%0.24CC..EExtended strand (participates in β ladder)trans-112.7130.3170.2-58.6162.9000105.5M251 F259 L374 T375 L376 C377 F399 V401I249-M251 HydrophobicContact CB-CE 3.73Å; I249-M251 HydrophobicContact CG2-CE 3.62Å; I249-M251 WeakPolarHBondContact O-CE 3.39Å; I249-F259 HydrophobicContact CG2-CD1 3.64Å; I249-F259 HydrophobicContact CG2-CE1 3.89Å; I249-F259 HydrophobicContact CG2-CG 4.46Å; I249-L374 HydrophobicContact CD1-CD1 4.42Å; I249-T375 PolarHBondContact N-O 3.29Å; I249-L376 HydrophobicContact CB-CD2 3.98Å; I249-L376 HydrophobicContact CD1-CD2 3.63Å; I249-L376 HydrophobicContact CG1-CD2 4.29Å; I249-C377 PolarHBondContact O-N 3.08Å; I249-F399 HydrophobicContact CD1-CD1 4.26Å; I249-F399 HydrophobicContact CG1-CB 3.82Å; I249-F399 HydrophobicContact CG1-CD1 4.36Å; I249-V401 HydrophobicContact CD1-CG2 3.64Å; I249-V401 HydrophobicContact CG1-CG2 3.87Å; I249-V401 HydrophobicContact CG2-CG2 4.03Å
250L95.2Very high91.4Very high81 Ų8145 Ų4542%0.42422%0.22SC..EExtended strand (participates in β ladder)trans-99.9127.1175.1-172.366.1000108.9Y248 C377 L379 V382Y248-L250 HydrophobicContact CD2-CB 4.41Å; Y248-L250 HydrophobicContact CE2-CB 4.07Å; L250-C377 WeakPolarHBondContact CA-O 3.36Å; L250-C377 HydrophobicContact CD1-CB 4.49Å; L250-L379 HydrophobicContact CD1-CD2 4.43Å; L250-V382 HydrophobicContact CD1-CG2 4.27Å
251M94.8Very high92.7Very high10 Ų1044.5 Ų44.55%0.04922%0.217CC..  trans-144166.1179.668.5-132.770.500112I249 K256 F259 L376 C377 D378I249-M251 HydrophobicContact CB-CE 3.73Å; I249-M251 HydrophobicContact CG2-CE 3.62Å; I249-M251 WeakPolarHBondContact O-CE 3.39Å; M251-K256 HydrophobicContact CG-CB 4.31Å; M251-K256 HydrophobicContact SD-CB 4.14Å; M251-K256 HydrophobicContact SD-CG 4.04Å; M251-F259 HydrophobicContact CB-CD2 3.56Å; M251-F259 HydrophobicContact CB-CE2 3.52Å; M251-F259 HydrophobicContact CB-CG 4.17Å; M251-F259 HydrophobicContact CB-CZ 4.07Å; M251-F259 HydrophobicContact CG-CD2 4.07Å; M251-F259 HydrophobicContact CG-CE2 4.49Å; M251-F259 HydrophobicContact SD-CB 3.67Å; M251-F259 HydrophobicContact SD-CD2 3.96Å; M251-F259 HydrophobicContact SD-CG 3.84Å; M251-L376 HydrophobicContact CE-CB 3.79Å; M251-L376 HydrophobicContact CE-CD2 3.93Å; M251-L376 HydrophobicContact CE-CG 4.4Å; M251-L376 HydrophobicContact SD-CB 4.08Å; M251-L376 HydrophobicContact SD-CD2 4.29Å; M251-C377 WeakPolarHBondContact CE-O 3.49Å; M251-C377 PolarHBondContact N-O 3.46Å; M251-D378 WeakPolarHBondContact O-CA 3.49Å
252R94.1Very high93.7Very high142 Ų14243.1 Ų43.154%0.53621%0.208SC..  trans-69143.7165.4-62.9-166.8-62.5-166.24.2110.2E254 H255R252-E254 WeakPolarHBondContact CB-OE2 3.48Å; R252-E254 PolarHBondContact O-N 2.95Å; R252-E254 VanDerWaalsContact O-N 3.15Å; R252-H255 PolarHBondContact NH2-CE1 3Å; R252-H255 PolarHBondContact NH2-NE2 3.06Å; R252-H255 PolarHBondContact O-N 3.4Å
253P92.8Very high94.5Very high31 Ų3134.3 Ų34.320%0.20117%0.167CC..G310 helixtrans-53.1-37.4-179.2-2026.1000113.4H255 K256 D378 F380P253-H255 PolarHBondContact O-N 2.98Å; P253-K256 WeakPolarHBondContact O-CB 3.43Å; P253-K256 PolarHBondContact O-N 3.33Å; P253-D378 HydrophobicContact CB-CB 4.34Å; P253-D378 HydrophobicContact CG-CB 3.97Å; P253-F380 HydrophobicContact CG-CD2 3.86Å; P253-F380 HydrophobicContact CG-CE2 3.62Å
254E92Very high95.1Very high111 Ų11131.5 Ų31.552%0.51915%0.15SC..G310 helixtrans-69.2-19.6-177-48.575-127.700113.1R252R252-E254 WeakPolarHBondContact CB-OE2 3.48Å; R252-E254 PolarHBondContact O-N 2.95Å; R252-E254 VanDerWaalsContact O-N 3.15Å
255H94.1Very high95.5Very high38 Ų3835.2 Ų35.218%0.17617%0.17CC..G310 helixtrans-100.2-3.9-177.8-62.4-172.5000112.6R252 P253 E257 A258 F259R252-H255 PolarHBondContact NH2-CE1 3Å; R252-H255 PolarHBondContact NH2-NE2 3.06Å; R252-H255 PolarHBondContact O-N 3.4Å; P253-H255 PolarHBondContact O-N 2.98Å; H255-E257 VanDerWaalsContact C-N 3.31Å; H255-E257 PolarHBondContact O-N 3.4Å; H255-A258 WeakPolarHBondContact O-CA 3.45Å; H255-A258 WeakPolarHBondContact O-CB 3.48Å; H255-A258 PolarHBondContact O-N 2.81Å; H255-F259 HydrophobicContact CB-CD2 3.9Å; H255-F259 HydrophobicContact CB-CE2 3.93Å; H255-F259 WeakPolarHBondContact O-CD2 3.23Å; H255-F259 PolarHBondContact O-N 3.35Å
256K95.3Very high95.6Very high8 Ų835.4 Ų35.44%0.03516%0.164CC..Hα-helixtrans-56.3-43.7-168.6-177.5172.7-70.6-177.80113M251 P253 A258 F259 L260 H348 L376 D378 E381M251-K256 HydrophobicContact CG-CB 4.31Å; M251-K256 HydrophobicContact SD-CB 4.14Å; M251-K256 HydrophobicContact SD-CG 4.04Å; P253-K256 WeakPolarHBondContact O-CB 3.43Å; P253-K256 PolarHBondContact O-N 3.33Å; K256-A258 VanDerWaalsContact C-N 3.34Å; K256-A258 PolarHBondContact O-N 3.05Å; K256-F259 PolarHBondContact O-N 3.1Å; K256-L260 PolarHBondContact O-N 3.41Å; K256-H348 WeakPolarHBondContact CD-O 3.28Å; K256-L376 HydrophobicContact CG-CB 4.48Å; K256-L376 HydrophobicContact CG-CD1 4.3Å; K256-D378 IonicContact NZ-OD2 3.72Å; K256-D378 PolarHBondContact NZ-OD2 3.03Å; K256-E381 IonicContact NZ-OE2 3.65Å; K256-E381 PolarHBondContact NZ-OE2 3.15Å
257E96.1Very high95.6Very high9 Ų936.4 Ų36.44%0.04217%0.169CC..Hα-helixtrans-65.3-36.2177.1-70.480.2-156.400112.6H255 L260 V261 M292 H348 V413 R417H255-E257 VanDerWaalsContact C-N 3.31Å; H255-E257 PolarHBondContact O-N 3.4Å; E257-L260 WeakPolarHBondContact O-CB 3.43Å; E257-L260 PolarHBondContact O-N 3.11Å; E257-V261 VanDerWaalsContact O-CG2 3.3Å; E257-V261 WeakPolarHBondContact O-CG2 3.3Å; E257-V261 PolarHBondContact O-N 3.26Å; E257-M292 HydrophobicContact CB-CE 3.76Å; E257-M292 HydrophobicContact CB-SD 3.77Å; E257-M292 HydrophobicContact CG-CE 3.92Å; E257-M292 HydrophobicContact CG-SD 3.87Å; E257-H348 IonicContact OE1-NE2 3.34Å; E257-V413 HydrophobicContact CB-CG1 3.76Å; E257-R417 IonicContact OE1-NH1 2.74Å; E257-R417 IonicContact OE2-CZ 2.83Å; E257-R417 IonicContact OE2-NH1 3.61Å; E257-R417 PolarHBondContact OE2-NH1 2.92Å
258A97.1Very high95.5Very high3 Ų335.1 Ų35.13%0.02517%0.166CC..Hα-helixtrans-67.1-41.6177.100000111.6H255 K256 L260 V261 H262 V406 I409 I410 V413H255-A258 WeakPolarHBondContact O-CA 3.45Å; H255-A258 WeakPolarHBondContact O-CB 3.48Å; H255-A258 PolarHBondContact O-N 2.81Å; K256-A258 VanDerWaalsContact C-N 3.34Å; K256-A258 PolarHBondContact O-N 3.05Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-L260 PolarHBondContact O-N 2.72Å; A258-V261 PolarHBondContact O-N 3.23Å; A258-H262 WeakPolarHBondContact O-CB 3.36Å; A258-H262 PolarHBondContact O-N 2.69Å; A258-V406 HydrophobicContact CB-CG1 3.9Å; A258-I409 HydrophobicContact CB-CG1 4.42Å; A258-I410 HydrophobicContact CB-CG1 3.87Å; A258-V413 HydrophobicContact CB-CB 4.36Å; A258-V413 HydrophobicContact CB-CG1 4.4Å; A258-V413 HydrophobicContact CB-CG2 4.42Å
259F97.3Very high95.4Very high9 Ų937.4 Ų37.44%0.03919%0.186CC..Hα-helixtrans-61.2-42.2171.9-85.1-89000111.8I249 M251 H255 K256 T263 V401 E403 V406I249-F259 HydrophobicContact CG2-CD1 3.64Å; I249-F259 HydrophobicContact CG2-CE1 3.89Å; I249-F259 HydrophobicContact CG2-CG 4.46Å; M251-F259 HydrophobicContact CB-CD2 3.56Å; M251-F259 HydrophobicContact CB-CE2 3.52Å; M251-F259 HydrophobicContact CB-CG 4.17Å; M251-F259 HydrophobicContact CB-CZ 4.07Å; M251-F259 HydrophobicContact CG-CD2 4.07Å; M251-F259 HydrophobicContact CG-CE2 4.49Å; M251-F259 HydrophobicContact SD-CB 3.67Å; M251-F259 HydrophobicContact SD-CD2 3.96Å; M251-F259 HydrophobicContact SD-CG 3.84Å; H255-F259 HydrophobicContact CB-CD2 3.9Å; H255-F259 HydrophobicContact CB-CE2 3.93Å; H255-F259 WeakPolarHBondContact O-CD2 3.23Å; H255-F259 PolarHBondContact O-N 3.35Å; K256-F259 PolarHBondContact O-N 3.1Å; F259-T263 VanDerWaalsContact O-CB 3.28Å; F259-T263 WeakPolarHBondContact O-CB 3.49Å; F259-T263 PolarHBondContact O-N 3.47Å; F259-T263 PolarHBondContact O-OG1 3.1Å; F259-V401 HydrophobicContact CD1-CB 4.35Å; F259-V401 HydrophobicContact CD1-CG1 3.99Å; F259-V401 HydrophobicContact CE1-CB 4.13Å; F259-V401 HydrophobicContact CE1-CG1 4.01Å; F259-E403 HydrophobicContact CZ-CG 4.29Å; F259-V406 HydrophobicContact CD1-CG1 4.46Å; F259-V406 HydrophobicContact CD1-CG2 4.1Å; F259-V406 HydrophobicContact CD2-CG1 3.83Å; F259-V406 HydrophobicContact CE1-CG2 4.12Å; F259-V406 HydrophobicContact CE2-CG1 3.9Å; F259-V406 HydrophobicContact CG-CG1 4.13Å; F259-V406 HydrophobicContact CG-CG2 4.49Å; F259-V406 HydrophobicContact CZ-CG1 4.28Å
260L97.3Very high95.3Very high0 Ų042.8 Ų42.80%021%0.211CC..Hα-helixtrans-60.1-52.1176.418065.5000111.5K256 E257 A258 T263 V264 I278 I289 M293 I346 L376K256-L260 PolarHBondContact O-N 3.41Å; E257-L260 WeakPolarHBondContact O-CB 3.43Å; E257-L260 PolarHBondContact O-N 3.11Å; A258-L260 VanDerWaalsContact C-N 3.34Å; A258-L260 PolarHBondContact O-N 2.72Å; L260-T263 PolarHBondContact O-N 3.39Å; L260-V264 HydrophobicContact CD1-CG2 4.19Å; L260-V264 VanDerWaalsContact O-CG2 3.28Å; L260-V264 WeakPolarHBondContact O-CG2 3.36Å; L260-V264 PolarHBondContact O-N 2.91Å; L260-I278 HydrophobicContact CD1-CD1 4.16Å; L260-I278 HydrophobicContact CD1-CG1 4.47Å; L260-I278 HydrophobicContact CD1-CG2 4.08Å; L260-I278 HydrophobicContact CD2-CG2 4.31Å; L260-I289 HydrophobicContact CD2-CD1 4.38Å; L260-I289 HydrophobicContact CD2-CG2 3.64Å; L260-M293 HydrophobicContact CB-CE 4.39Å; L260-M293 HydrophobicContact CD2-CE 3.55Å; L260-M293 HydrophobicContact CG-CE 3.53Å; L260-I346 HydrophobicContact CD1-CB 4.47Å; L260-I346 HydrophobicContact CD1-CD1 4.42Å; L260-I346 HydrophobicContact CD1-CG2 3.65Å; L260-L376 HydrophobicContact CB-CD1 3.68Å; L260-L376 HydrophobicContact CD1-CD1 3.97Å; L260-L376 HydrophobicContact CG-CD1 4.38Å
261V97.1Very high95.3Very high11 Ų1142 Ų427%0.06721%0.207CC..Hα-helixtrans-59.1-50.8-179.2170.70000110.4E257 A258 T263 V264 D265 M292 M293 L296 I298 I409 V413E257-V261 VanDerWaalsContact O-CG2 3.3Å; E257-V261 WeakPolarHBondContact O-CG2 3.3Å; E257-V261 PolarHBondContact O-N 3.26Å; A258-V261 PolarHBondContact O-N 3.23Å; V261-T263 VanDerWaalsContact C-N 3.32Å; V261-T263 PolarHBondContact O-N 3.16Å; V261-V264 PolarHBondContact O-N 3.04Å; V261-D265 VanDerWaalsContact O-CB 3.29Å; V261-D265 WeakPolarHBondContact O-CB 3.33Å; V261-D265 PolarHBondContact O-N 2.85Å; V261-M292 HydrophobicContact CG2-CE 3.88Å; V261-M293 HydrophobicContact CB-CE 4.39Å; V261-M293 HydrophobicContact CG2-CE 3.64Å; V261-M293 HydrophobicContact CG2-SD 3.89Å; V261-L296 HydrophobicContact CB-CD1 4.48Å; V261-L296 HydrophobicContact CG1-CD1 4.01Å; V261-L296 HydrophobicContact CG2-CD1 3.66Å; V261-I298 HydrophobicContact CG1-CD1 4.16Å; V261-I409 HydrophobicContact CB-CD1 4.25Å; V261-I409 HydrophobicContact CG1-CD1 3.99Å; V261-V413 HydrophobicContact CB-CG2 4.16Å; V261-V413 HydrophobicContact CG1-CG2 4.2Å; V261-V413 HydrophobicContact CG2-CG1 4.26Å; V261-V413 HydrophobicContact CG2-CG2 4.1Å
262H96.6Very high95.1Very high13 Ų1345 Ų456%0.0623%0.227CC..Hα-helixtrans-59.3-43.2179.6-179.758.7000112.3A258 V264 D265 Q266 V406 I409A258-H262 WeakPolarHBondContact O-CB 3.36Å; A258-H262 PolarHBondContact O-N 2.69Å; H262-V264 PolarHBondContact O-N 3.15Å; H262-D265 PolarHBondContact O-N 3.37Å; H262-Q266 PolarHBondContact NE2-OE1 3.42Å; H262-Q266 WeakPolarHBondContact O-CB 3.37Å; H262-Q266 PolarHBondContact O-N 2.94Å; H262-V406 HydrophobicContact CB-CG2 3.93Å; H262-V406 VanDerWaalsContact CD2-CG2 3.4Å; H262-V406 WeakPolarHBondContact CD2-CG2 3.46Å; H262-I409 HydrophobicContact CB-CD1 3.87Å
263T95.9Very high95Very high11 Ų1145.3 Ų45.37%0.06723%0.234CC..Hα-helixtrans-63.4-43.6179.1-57.40000111.4F259 L260 V261 F267 I346 L374F259-T263 VanDerWaalsContact O-CB 3.28Å; F259-T263 WeakPolarHBondContact O-CB 3.49Å; F259-T263 PolarHBondContact O-N 3.47Å; F259-T263 PolarHBondContact O-OG1 3.1Å; L260-T263 PolarHBondContact O-N 3.39Å; V261-T263 VanDerWaalsContact C-N 3.32Å; V261-T263 PolarHBondContact O-N 3.16Å; T263-F267 WeakPolarHBondContact O-CB 3.47Å; T263-F267 PolarHBondContact O-N 3.47Å; T263-F267 VanDerWaalsContact O-N 3.07Å; T263-I346 HydrophobicContact CG2-CD1 4.1Å; T263-L374 HydrophobicContact CG2-CD1 3.46Å; T263-L374 VanDerWaalsContact CG2-CD1 3.46Å
264V96.7Very high95Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-66.6-47.4178.7170.20000110.8L260 V261 H262 F267 L268 I276 I278 M293 I298 V326 I346L260-V264 HydrophobicContact CD1-CG2 4.19Å; L260-V264 VanDerWaalsContact O-CG2 3.28Å; L260-V264 WeakPolarHBondContact O-CG2 3.36Å; L260-V264 PolarHBondContact O-N 2.91Å; V261-V264 PolarHBondContact O-N 3.04Å; H262-V264 PolarHBondContact O-N 3.15Å; V264-F267 PolarHBondContact O-N 2.97Å; V264-L268 HydrophobicContact CG1-CD1 3.95Å; V264-L268 WeakPolarHBondContact O-CB 3.39Å; V264-L268 WeakPolarHBondContact O-CG 3.01Å; V264-L268 PolarHBondContact O-N 3.42Å; V264-I276 HydrophobicContact CG1-CD1 4.05Å; V264-I276 HydrophobicContact CG2-CG2 4.49Å; V264-I278 HydrophobicContact CG2-CD1 3.78Å; V264-M293 HydrophobicContact CG2-CE 4.38Å; V264-I298 HydrophobicContact CG1-CD1 4.25Å; V264-I298 HydrophobicContact CG1-CG2 4.06Å; V264-V326 HydrophobicContact CG1-CG2 4.03Å; V264-I346 HydrophobicContact CG2-CD1 3.76Å
265D95.5Very high95.1Very high80 Ų8039.9 Ų39.943%0.42821%0.208SC..Hα-helixtrans-63.9-47.4-178.6-176.860.9000112.1V261 H262 F267 L268 T269 I298V261-D265 VanDerWaalsContact O-CB 3.29Å; V261-D265 WeakPolarHBondContact O-CB 3.33Å; V261-D265 PolarHBondContact O-N 2.85Å; H262-D265 PolarHBondContact O-N 3.37Å; D265-F267 VanDerWaalsContact C-N 3.35Å; D265-F267 PolarHBondContact O-N 3.23Å; D265-L268 PolarHBondContact O-N 3.47Å; D265-T269 WeakPolarHBondContact O-CB 3.43Å; D265-T269 PolarHBondContact O-N 3.37Å; D265-T269 PolarHBondContact O-OG1 3.02Å; D265-I298 HydrophobicContact CB-CD1 4.36Å
266Q94.7Very high95.2Very high60 Ų6038 Ų3828%0.2820%0.2SC..Hα-helixtrans-60.3-45.9176-178.1178.3-3400110.9H262 L268 T269 E270H262-Q266 PolarHBondContact NE2-OE1 3.42Å; H262-Q266 WeakPolarHBondContact O-CB 3.37Å; H262-Q266 PolarHBondContact O-N 2.94Å; Q266-L268 PolarHBondContact O-N 3.21Å; Q266-T269 WeakPolarHBondContact O-CB 2.98Å; Q266-T269 PolarHBondContact O-N 2.99Å; Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 VanDerWaalsContact CG-OE1 3.24Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.19Å; Q266-E270 PolarHBondContact NE2-OE1 3.36Å; Q266-E270 WeakPolarHBondContact O-CG 3.15Å; Q266-E270 PolarHBondContact O-N 3.29Å
267F94.5Very high95.2Very high29 Ų2937.7 Ų37.713%0.12720%0.198CC..Hα-helixtrans-65.9-40.2-178.5-168.3-93.5000112.5T263 V264 D265 T269 N271 S274 I276 D343 I344 L372T263-F267 WeakPolarHBondContact O-CB 3.47Å; T263-F267 PolarHBondContact O-N 3.47Å; T263-F267 VanDerWaalsContact O-N 3.07Å; V264-F267 PolarHBondContact O-N 2.97Å; D265-F267 VanDerWaalsContact C-N 3.35Å; D265-F267 PolarHBondContact O-N 3.23Å; F267-T269 VanDerWaalsContact C-N 3.32Å; F267-N271 HydrophobicContact CE1-CB 4.39Å; F267-N271 WeakPolarHBondContact O-CA 3.28Å; F267-N271 WeakPolarHBondContact O-CB 3.34Å; F267-N271 PolarHBondContact O-N 3Å; F267-N271 PolarHBondContact O-ND2 3.32Å; F267-S274 VanDerWaalsContact CE1-CB 3.49Å; F267-I276 HydrophobicContact CB-CD1 4.44Å; F267-I276 HydrophobicContact CD1-CD1 3.82Å; F267-I276 HydrophobicContact CD1-CG1 4.07Å; F267-I276 HydrophobicContact CE1-CG1 4.43Å; F267-D343 HydrophobicContact CE1-CB 4.32Å; F267-D343 HydrophobicContact CZ-CB 4.17Å; F267-I344 HydrophobicContact CD1-CG2 3.79Å; F267-I344 HydrophobicContact CD2-CD1 4.06Å; F267-I344 HydrophobicContact CE1-CB 4.05Å; F267-I344 HydrophobicContact CE1-CG2 3.47Å; F267-I344 VanDerWaalsContact CE1-CG2 3.47Å; F267-I344 HydrophobicContact CE2-CB 4.34Å; F267-I344 HydrophobicContact CE2-CD1 4.19Å; F267-I344 HydrophobicContact CE2-CG2 4.49Å; F267-I344 HydrophobicContact CG-CD1 4.32Å; F267-I344 HydrophobicContact CG-CG2 4.39Å; F267-I344 HydrophobicContact CZ-CB 3.91Å; F267-I344 HydrophobicContact CZ-CG2 3.88Å; F267-L372 HydrophobicContact CE2-CD2 4.19Å
268L95.1Very high95.2Very high37 Ų3737.2 Ų37.219%0.19420%0.196CC..Hα-helixtrans-68.8-31174.4-71.3175.5000112.3V264 D265 Q266 N271 P272 I276 I298 R325 V326V264-L268 HydrophobicContact CG1-CD1 3.95Å; V264-L268 WeakPolarHBondContact O-CB 3.39Å; V264-L268 WeakPolarHBondContact O-CG 3.01Å; V264-L268 PolarHBondContact O-N 3.42Å; D265-L268 PolarHBondContact O-N 3.47Å; Q266-L268 PolarHBondContact O-N 3.21Å; L268-N271 CarbonylContact O-C 3.57Å; L268-P272 WeakPolarHBondContact O-CA 3.27Å; L268-P272 VanDerWaalsContact O-N 3.17Å; L268-I276 HydrophobicContact CD1-CD1 4.34Å; L268-I276 HydrophobicContact CD2-CD1 3.73Å; L268-I276 HydrophobicContact CD2-CG1 4.23Å; L268-I276 HydrophobicContact CG-CD1 3.69Å; L268-I298 HydrophobicContact CD1-CG2 4.44Å; L268-R325 HydrophobicContact CD2-CB 4.16Å; L268-V326 HydrophobicContact CD1-CG2 3.85Å
269T95Very high95.2Very high98 Ų9837.1 Ų37.160%0.60120%0.195SC*.Hα-helixtrans-68.5-46174.9-61.70000111.1D265 Q266 F267D265-T269 WeakPolarHBondContact O-CB 3.43Å; D265-T269 PolarHBondContact O-N 3.37Å; D265-T269 PolarHBondContact O-OG1 3.02Å; Q266-T269 WeakPolarHBondContact O-CB 2.98Å; Q266-T269 PolarHBondContact O-N 2.99Å; F267-T269 VanDerWaalsContact C-N 3.32Å
270E94.3Very high95.1Very high118 Ų11836.7 Ų36.755%0.55119%0.193SC*.Hα-helixtrans-73.1-32.7178.3-69.1171.1-169.800112.2Q266Q266-E270 HydrophobicContact CG-CG 4.47Å; Q266-E270 VanDerWaalsContact CG-OE1 3.24Å; Q266-E270 WeakPolarHBondContact CG-OE1 3.19Å; Q266-E270 PolarHBondContact NE2-OE1 3.36Å; Q266-E270 WeakPolarHBondContact O-CG 3.15Å; Q266-E270 PolarHBondContact O-N 3.29Å
271N94.1Very high94.7Very high65 Ų6539.2 Ų39.235%0.34821%0.207SC..  trans-133.575.2-176.2-52.6-87.2000111.3F267 L268 H273 S274F267-N271 HydrophobicContact CE1-CB 4.39Å; F267-N271 WeakPolarHBondContact O-CA 3.28Å; F267-N271 WeakPolarHBondContact O-CB 3.34Å; F267-N271 PolarHBondContact O-N 3Å; F267-N271 PolarHBondContact O-ND2 3.32Å; L268-N271 CarbonylContact O-C 3.57Å; N271-H273 PolarHBondContact O-N 2.84Å; N271-S274 WeakPolarHBondContact CB-OG 3.28Å; N271-S274 PolarHBondContact O-N 2.61Å
272P92.6Very high94.3Very high72 Ų7244.5 Ų44.547%0.46823%0.229SC..THydrogen-bonded Turntrans-61.9-16.8-172.5-25.635.4000115.5L268 R325L268-P272 WeakPolarHBondContact O-CA 3.27Å; L268-P272 VanDerWaalsContact O-N 3.17Å; P272-R325 WeakPolarHBondContact O-CD 3.43Å; P272-R325 VanDerWaalsContact O-CZ 3.28Å; P272-R325 PolarHBondContact O-NE 3.05Å
273H92Very high94.1Very high149 Ų14945.2 Ų45.269%0.6924%0.235SC*.THydrogen-bonded Turntrans-100.9-5.4-178.9-62-48.9000114.2N271 R325N271-H273 PolarHBondContact O-N 2.84Å; H273-R325 PolarHBondContact ND1-NH2 2.91Å; H273-R325 PolarHBondContact O-NH1 3.37Å
274S91.5Very high93.8Very high15 Ų1548.2 Ų48.211%0.10525%0.247CC..  trans-74.4153.9-174.8-70.70000113.6F267 N271 D343F267-S274 VanDerWaalsContact CE1-CB 3.49Å; N271-S274 WeakPolarHBondContact CB-OG 3.28Å; N271-S274 PolarHBondContact O-N 2.61Å; S274-D343 WeakPolarHBondContact CA-OD2 3.42Å; S274-D343 WeakPolarHBondContact CB-OD2 3.39Å; S274-D343 PolarHBondContact OG-OD2 2.95Å
275L94.4Very high93.7Very high12 Ų1251.5 Ų51.56%0.06326%0.259CS..  trans-102.8130.7174.9-63.6178.8000110.4F319 R325 P340 V342 D343 I344L275-F319 HydrophobicContact CB-CE2 4.27Å; L275-F319 HydrophobicContact CB-CZ 4Å; L275-F319 HydrophobicContact CD2-CE2 4.17Å; L275-R325 HydrophobicContact CD2-CB 4.41Å; L275-R325 HydrophobicContact CD2-CG 4.41Å; L275-P340 HydrophobicContact CD1-CB 3.92Å; L275-P340 HydrophobicContact CD1-CG 3.57Å; L275-V342 HydrophobicContact CB-CB 4.28Å; L275-V342 HydrophobicContact CB-CG1 4.23Å; L275-D343 PolarHBondContact N-OD2 3.12Å; L275-D343 PolarHBondContact O-N 3.09Å; L275-I344 PolarHBondContact O-N 3.42Å
276I95.6Very high93.6Very high0 Ų047.7 Ų47.70%024%0.239CC..EExtended strand (participates in β ladder)trans-115.6127.8-177.1-52.6-171.6000109.1V264 F267 L268 I278 R325 V326 L327 I344 I346V264-I276 HydrophobicContact CG1-CD1 4.05Å; V264-I276 HydrophobicContact CG2-CG2 4.49Å; F267-I276 HydrophobicContact CB-CD1 4.44Å; F267-I276 HydrophobicContact CD1-CD1 3.82Å; F267-I276 HydrophobicContact CD1-CG1 4.07Å; F267-I276 HydrophobicContact CE1-CG1 4.43Å; L268-I276 HydrophobicContact CD1-CD1 4.34Å; L268-I276 HydrophobicContact CD2-CD1 3.73Å; L268-I276 HydrophobicContact CD2-CG1 4.23Å; L268-I276 HydrophobicContact CG-CD1 3.69Å; I276-I278 HydrophobicContact CG2-CD1 4.44Å; I276-I278 HydrophobicContact CG2-CG1 3.95Å; I276-R325 PolarHBondContact N-O 2.73Å; I276-V326 HydrophobicContact CB-CG2 4.23Å; I276-V326 HydrophobicContact CD1-CG2 4.28Å; I276-V326 HydrophobicContact CG2-CG1 4.44Å; I276-V326 WeakPolarHBondContact O-CA 3.12Å; I276-L327 PolarHBondContact O-N 2.69Å; I276-I344 HydrophobicContact CB-CG2 3.89Å; I276-I344 HydrophobicContact CD1-CG2 4.22Å; I276-I344 HydrophobicContact CG1-CG2 3.54Å; I276-I344 HydrophobicContact CG2-CG2 3.86Å; I276-I346 HydrophobicContact CG2-CD1 3.91Å; I276-I346 HydrophobicContact CG2-CG1 4.35Å
277M95.3Very high93.5Very high0 Ų046.8 Ų46.80%024%0.235CC..EExtended strand (participates in β ladder)trans-114.5116.9171.4-167.3173.1-167.700111F279 L327 A329 F339 V342 I344 V345 I346 R363M277-F279 HydrophobicContact CE-CE1 3.65Å; M277-F279 HydrophobicContact CE-CE2 4.1Å; M277-F279 HydrophobicContact CE-CZ 3.29Å; M277-F279 HydrophobicContact CG-CD2 4.44Å; M277-F279 HydrophobicContact CG-CE2 3.9Å; M277-F279 HydrophobicContact CG-CZ 4.06Å; M277-F279 HydrophobicContact SD-CE1 4.36Å; M277-F279 HydrophobicContact SD-CE2 3.71Å; M277-F279 HydrophobicContact SD-CZ 3.48Å; M277-F279 WeakPolarHBondContact SD-CZ 3.36Å; M277-L327 CarbonylContact C-O 3.56Å; M277-L327 WeakPolarHBondContact CA-O 3.21Å; M277-L327 HydrophobicContact CE-CD2 3.84Å; M277-L327 HydrophobicContact CG-CD2 4.31Å; M277-L327 HydrophobicContact SD-CD2 4.47Å; M277-A329 HydrophobicContact CE-CB 3.95Å; M277-F339 HydrophobicContact CE-CD2 4.15Å; M277-F339 HydrophobicContact CE-CE1 4.13Å; M277-F339 HydrophobicContact CE-CE2 3.69Å; M277-F339 HydrophobicContact CE-CZ 3.69Å; M277-V342 HydrophobicContact CB-CG1 4.25Å; M277-V342 HydrophobicContact CB-CG2 4.14Å; M277-I344 PolarHBondContact N-O 3.35Å; M277-V345 CarbonylContact O-C 3.57Å; M277-V345 WeakPolarHBondContact O-CA 3.17Å; M277-I346 PolarHBondContact O-N 3.05Å; M277-R363 HydrophobicContact SD-CB 4.03Å; M277-R363 HydrophobicContact SD-CG 3.88Å
278I96.9Very high93.6Very high0 Ų045.8 Ų45.80%023%0.23CC..EExtended strand (participates in β ladder)trans-103.3123.2-179.9-55.1171.1000109.1L260 V264 I276 V326 L327 I328 A329 I346 H348L260-I278 HydrophobicContact CD1-CD1 4.16Å; L260-I278 HydrophobicContact CD1-CG1 4.47Å; L260-I278 HydrophobicContact CD1-CG2 4.08Å; L260-I278 HydrophobicContact CD2-CG2 4.31Å; V264-I278 HydrophobicContact CG2-CD1 3.78Å; I276-I278 HydrophobicContact CG2-CD1 4.44Å; I276-I278 HydrophobicContact CG2-CG1 3.95Å; I278-V326 HydrophobicContact CD1-CG1 3.53Å; I278-V326 HydrophobicContact CG1-CG1 4.22Å; I278-L327 PolarHBondContact N-O 3.2Å; I278-I328 HydrophobicContact CB-CG1 4.15Å; I278-I328 HydrophobicContact CB-CG2 4.44Å; I278-I328 HydrophobicContact CD1-CG1 4.11Å; I278-I328 HydrophobicContact CG2-CG2 4.44Å; I278-I328 CarbonylContact O-C 3.53Å; I278-I328 WeakPolarHBondContact O-CA 3.46Å; I278-A329 PolarHBondContact O-N 3.39Å; I278-I346 CarbonylContact C-O 3.49Å; I278-I346 VanDerWaalsContact CA-O 3.28Å; I278-I346 WeakPolarHBondContact CA-O 3.39Å; I278-I346 HydrophobicContact CG1-CB 4.29Å; I278-H348 HydrophobicContact CG2-CB 4.11Å
279F96.3Very high93.6Very high0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-103.2131.2177.6-77.3-72.5000113M277 A329 S334 V345 I346 H348 R360 R363M277-F279 HydrophobicContact CE-CE1 3.65Å; M277-F279 HydrophobicContact CE-CE2 4.1Å; M277-F279 HydrophobicContact CE-CZ 3.29Å; M277-F279 HydrophobicContact CG-CD2 4.44Å; M277-F279 HydrophobicContact CG-CE2 3.9Å; M277-F279 HydrophobicContact CG-CZ 4.06Å; M277-F279 HydrophobicContact SD-CE1 4.36Å; M277-F279 HydrophobicContact SD-CE2 3.71Å; M277-F279 HydrophobicContact SD-CZ 3.48Å; M277-F279 WeakPolarHBondContact SD-CZ 3.36Å; F279-A329 WeakPolarHBondContact CA-O 3.47Å; F279-A329 HydrophobicContact CD1-CB 4.45Å; F279-A329 HydrophobicContact CE1-CB 4.3Å; F279-S334 VanDerWaalsContact CE1-OG 3.26Å; F279-S334 WeakPolarHBondContact CE1-OG 3.28Å; F279-V345 HydrophobicContact CD2-CG1 3.65Å; F279-V345 HydrophobicContact CE2-CG1 3.79Å; F279-I346 PolarHBondContact N-O 3.28Å; F279-H348 VanDerWaalsContact O-CB 3.29Å; F279-H348 WeakPolarHBondContact O-CB 3.33Å; F279-H348 PolarHBondContact O-N 2.98Å; F279-R360 HydrophobicContact CB-CG 4.27Å; F279-R360 HydrophobicContact CD1-CG 3.88Å; F279-R360 HydrophobicContact CD2-CB 3.61Å; F279-R360 HydrophobicContact CD2-CG 3.56Å; F279-R360 HydrophobicContact CE1-CG 4.03Å; F279-R360 HydrophobicContact CE2-CB 3.58Å; F279-R360 HydrophobicContact CE2-CG 3.72Å; F279-R360 HydrophobicContact CG-CB 4.22Å; F279-R360 HydrophobicContact CG-CG 3.63Å; F279-R360 HydrophobicContact CZ-CB 4.18Å; F279-R360 HydrophobicContact CZ-CG 3.94Å; F279-R363 HydrophobicContact CE2-CG 4.24Å; F279-R363 HydrophobicContact CZ-CG 4.07Å
280T94.9Very high93.7Very high0 Ų039.5 Ų39.50%019%0.194CC..EExtended strand (participates in β ladder)trans-131.3160.2173.2-1740000111.8W285 C286 I328 A329 T330 N349T280-W285 HydrophobicContact CG2-CB 4.24Å; T280-W285 WeakPolarHBondContact OG1-CB 3.26Å; T280-C286 VanDerWaalsContact CG2-CA 3.49Å; T280-C286 HydrophobicContact CG2-CB 3.63Å; T280-I328 HydrophobicContact CG2-CG2 4.26Å; T280-A329 PolarHBondContact N-O 3.32Å; T280-T330 HydrophobicContact CG2-CG2 4.35Å; T280-T330 WeakPolarHBondContact O-CA 3.48Å; T280-N349 PolarHBondContact OG1-OD1 2.9Å
281N89.5Confident93.7Very high54 Ų5436 Ų3629%0.28918%0.179SC..SBendtrans-84-28.1-170.360.16.2000114.4
282K90Very high93.9Very high122 Ų12232.9 Ų32.953%0.5316%0.162SC..SBendtrans-126.3149.3-175.9-56.3176.4-178176.60111.6K284 W285 C286K282-K284 VanDerWaalsContact C-N 3.26Å; K282-K284 PolarHBondContact O-N 3.48Å; K282-W285 PolarHBondContact O-N 2.9Å; K282-C286 PolarHBondContact O-N 2.97Å
283C91Very high94.1Very high28 Ų2829.4 Ų29.419%0.18914%0.14CC..Hα-helixtrans-58.3-38.1175.2-56.20000112.2C286 H287 H304 S305 F429C283-C286 WeakPolarHBondContact O-CB 3.17Å; C283-C286 PolarHBondContact O-N 3.39Å; C283-H287 PolarHBondContact O-N 3.44Å; C283-H304 HydrophobicContact CB-CB 4.08Å; C283-S305 PolarHBondContact SG-OG 3.09Å; C283-F429 HydrophobicContact CB-CE1 4.17Å; C283-F429 HydrophobicContact CB-CZ 4.05Å
284K91.2Very high94.2Very high74 Ų7426.4 Ų26.432%0.32213%0.132SC..Hα-helixtrans-60.4-46.9176.7-173169.6-173.4158.40111.4K282 C286 H287 L288 L424 D425 F429 D430K282-K284 VanDerWaalsContact C-N 3.26Å; K282-K284 PolarHBondContact O-N 3.48Å; K284-C286 PolarHBondContact O-N 3.13Å; K284-H287 PolarHBondContact O-N 3.17Å; K284-L288 WeakPolarHBondContact O-CB 3.45Å; K284-L288 PolarHBondContact O-N 3.24Å; K284-L424 HydrophobicContact CG-CD1 4.16Å; K284-D425 IonicContact NZ-OD1 3.88Å; K284-F429 HydrophobicContact CB-CD1 4.4Å; K284-F429 HydrophobicContact CB-CE1 4.21Å; K284-D430 IonicContact NZ-OD2 3.45Å; K284-D430 PolarHBondContact NZ-OD2 3.1Å
285W93.1Very high94.4Very high69 Ų6928.8 Ų28.826%0.26115%0.149SC..Hα-helixtrans-63.3-39.9175.4-71119.9000112.4T280 K282 H287 L288 I289T280-W285 HydrophobicContact CG2-CB 4.24Å; T280-W285 WeakPolarHBondContact OG1-CB 3.26Å; K282-W285 PolarHBondContact O-N 2.9Å; W285-H287 VanDerWaalsContact C-N 3.27Å; W285-H287 PolarHBondContact O-N 3.49Å; W285-L288 HydrophobicContact CE3-CD2 3.58Å; W285-L288 HydrophobicContact CZ3-CD2 3.51Å; W285-L288 PolarHBondContact O-N 3.5Å; W285-I289 WeakPolarHBondContact O-CB 3.18Å; W285-I289 WeakPolarHBondContact O-CD1 3.46Å; W285-I289 WeakPolarHBondContact O-CG1 3.43Å; W285-I289 PolarHBondContact O-N 3.27Å
286C94.4Very high94.5Very high0 Ų029.9 Ų29.90%015%0.154CC..Hα-helixtrans-56.7-45.2176.1-168.80000111.4T280 K282 C283 K284 G290 L302 H304 I328 T330T280-C286 VanDerWaalsContact CG2-CA 3.49Å; T280-C286 HydrophobicContact CG2-CB 3.63Å; K282-C286 PolarHBondContact O-N 2.97Å; C283-C286 WeakPolarHBondContact O-CB 3.17Å; C283-C286 PolarHBondContact O-N 3.39Å; K284-C286 PolarHBondContact O-N 3.13Å; C286-G290 PolarHBondContact O-N 3Å; C286-L302 VanDerWaalsContact O-CD2 3.3Å; C286-L302 WeakPolarHBondContact O-CD2 3.07Å; C286-H304 HydrophobicContact CB-CB 4.35Å; C286-I328 HydrophobicContact CB-CG2 4.44Å; C286-I328 PolarHBondContact SG-O 2.95Å; C286-T330 HydrophobicContact CB-CG2 4.11Å
287H93Very high94.5Very high41 Ų4132.9 Ų32.919%0.1919%0.186CC..Hα-helixtrans-74.1-39.6179.8-15591.4000112.3C283 K284 W285 G290 L291 L302 H304 L424 F429C283-H287 PolarHBondContact O-N 3.44Å; K284-H287 PolarHBondContact O-N 3.17Å; W285-H287 VanDerWaalsContact C-N 3.27Å; W285-H287 PolarHBondContact O-N 3.49Å; H287-G290 PolarHBondContact O-N 2.93Å; H287-L291 WeakPolarHBondContact O-CG 3.38Å; H287-L291 PolarHBondContact O-N 2.91Å; H287-L302 HydrophobicContact CB-CD1 4.42Å; H287-H304 AromaticContact ND1-NE2 3.81Å; H287-L424 HydrophobicContact CB-CD2 3.98Å; H287-L424 WeakPolarHBondContact CD2-CD2 3.42Å; H287-F429 HydrophobicContact CB-CE2 4.21Å; H287-F429 HydrophobicContact CB-CZ 4.37Å
288L94.9Very high94.5Very high7 Ų733.6 Ų33.64%0.03719%0.189CC..Hα-helixtrans-57.6-52.3176-178.370.8000111.3K284 W285 G290 L291 M292 R417 A420 E421 L424K284-L288 WeakPolarHBondContact O-CB 3.45Å; K284-L288 PolarHBondContact O-N 3.24Å; W285-L288 HydrophobicContact CE3-CD2 3.58Å; W285-L288 HydrophobicContact CZ3-CD2 3.51Å; W285-L288 PolarHBondContact O-N 3.5Å; L288-G290 VanDerWaalsContact C-N 3.28Å; L288-G290 PolarHBondContact O-N 3.09Å; L288-L291 PolarHBondContact O-N 3.34Å; L288-M292 WeakPolarHBondContact O-CB 3.4Å; L288-M292 PolarHBondContact O-N 2.99Å; L288-R417 HydrophobicContact CD2-CG 4.44Å; L288-A420 HydrophobicContact CD1-CB 3.6Å; L288-E421 HydrophobicContact CD1-CB 4.26Å; L288-E421 HydrophobicContact CD1-CG 3.47Å; L288-E421 VanDerWaalsContact CD1-CG 3.47Å; L288-E421 HydrophobicContact CD2-CG 4.31Å; L288-L424 HydrophobicContact CB-CD1 3.69Å; L288-L424 HydrophobicContact CD1-CD1 3.81Å; L288-L424 HydrophobicContact CG-CD1 4.37Å
289I96.6Very high94.4Very high1 Ų141.5 Ų41.51%0.00522%0.224CC..Hα-helixtrans-62.1-40.1179.8-62.4164.7000109.7L260 W285 M292 M293 I328 H348L260-I289 HydrophobicContact CD2-CD1 4.38Å; L260-I289 HydrophobicContact CD2-CG2 3.64Å; W285-I289 WeakPolarHBondContact O-CB 3.18Å; W285-I289 WeakPolarHBondContact O-CD1 3.46Å; W285-I289 WeakPolarHBondContact O-CG1 3.43Å; W285-I289 PolarHBondContact O-N 3.27Å; I289-M292 HydrophobicContact CG2-CE 4.43Å; I289-M292 PolarHBondContact O-N 2.83Å; I289-M293 HydrophobicContact CG2-CE 4.16Å; I289-M293 HydrophobicContact CG2-CG 3.99Å; I289-M293 VanDerWaalsContact O-CB 3.3Å; I289-M293 WeakPolarHBondContact O-CB 3.39Å; I289-M293 WeakPolarHBondContact O-CG 3.28Å; I289-M293 PolarHBondContact O-N 2.85Å; I289-I328 HydrophobicContact CB-CD1 4.13Å; I289-I328 HydrophobicContact CG2-CD1 3.64Å; I289-I328 HydrophobicContact CG2-CG1 4.39Å; I289-H348 HydrophobicContact CD1-CB 4.32Å
290G96.1Very high94.4Very high3 Ų342.4 Ų42.43%0.03123%0.229CC..Hα-helixtrans-60.3-48176.700000113.8C286 H287 L288 T294C286-G290 PolarHBondContact O-N 3Å; H287-G290 PolarHBondContact O-N 2.93Å; L288-G290 VanDerWaalsContact C-N 3.28Å; L288-G290 PolarHBondContact O-N 3.09Å; G290-T294 WeakPolarHBondContact O-CB 3.15Å; G290-T294 PolarHBondContact O-N 2.93Å; G290-T294 PolarHBondContact O-OG1 3.27Å
291L95.2Very high94.4Very high43 Ų4342.7 Ų42.723%0.22523%0.231CC..Hα-helixtrans-62.9-44.3177-72.4176.7000111.5H287 L288 T294 S295 A420 K423 L424H287-L291 WeakPolarHBondContact O-CG 3.38Å; H287-L291 PolarHBondContact O-N 2.91Å; L288-L291 PolarHBondContact O-N 3.34Å; L291-T294 PolarHBondContact O-N 3.24Å; L291-S295 PolarHBondContact O-N 2.79Å; L291-S295 PolarHBondContact O-OG 2.98Å; L291-A420 HydrophobicContact CB-CB 3.65Å; L291-A420 HydrophobicContact CD1-CB 4.47Å; L291-K423 HydrophobicContact CD1-CB 4.05Å; L291-L424 HydrophobicContact CD1-CD2 4.48Å; L291-L424 HydrophobicContact CD1-CG 4.08Å
292M96.9Very high94.7Very high0 Ų041.4 Ų41.40%022%0.224CC..Hα-helixtrans-62.7-48.5178.2-179.7-172.578.300111.9E257 V261 L288 I289 T294 S295 L296 V413 A416 R417 A420E257-M292 HydrophobicContact CB-CE 3.76Å; E257-M292 HydrophobicContact CB-SD 3.77Å; E257-M292 HydrophobicContact CG-CE 3.92Å; E257-M292 HydrophobicContact CG-SD 3.87Å; V261-M292 HydrophobicContact CG2-CE 3.88Å; L288-M292 WeakPolarHBondContact O-CB 3.4Å; L288-M292 PolarHBondContact O-N 2.99Å; I289-M292 HydrophobicContact CG2-CE 4.43Å; I289-M292 PolarHBondContact O-N 2.83Å; M292-T294 VanDerWaalsContact C-N 3.29Å; M292-T294 PolarHBondContact O-N 2.63Å; M292-S295 WeakPolarHBondContact CA-OG 3.15Å; M292-S295 PolarHBondContact O-N 2.96Å; M292-S295 PolarHBondContact O-OG 3.34Å; M292-L296 HydrophobicContact CG-CD1 4.04Å; M292-L296 WeakPolarHBondContact O-CD1 3.12Å; M292-L296 VanDerWaalsContact O-CG 3.29Å; M292-L296 WeakPolarHBondContact O-CG 3.36Å; M292-L296 PolarHBondContact O-N 3.39Å; M292-L296 VanDerWaalsContact O-N 3.12Å; M292-V413 HydrophobicContact CE-CG1 4.47Å; M292-V413 HydrophobicContact SD-CG1 3.9Å; M292-A416 HydrophobicContact CG-CB 3.97Å; M292-R417 HydrophobicContact SD-CB 3.97Å; M292-A420 HydrophobicContact CB-CB 4.27Å
293M96.8Very high94.8Very high0 Ų035.6 Ų35.60%020%0.199CC..Hα-helixtrans-59.6-41.9176.2-71.5-74.217700111.2L260 V261 V264 I289 S295 L296 G297 I298 T300L260-M293 HydrophobicContact CB-CE 4.39Å; L260-M293 HydrophobicContact CD2-CE 3.55Å; L260-M293 HydrophobicContact CG-CE 3.53Å; V261-M293 HydrophobicContact CB-CE 4.39Å; V261-M293 HydrophobicContact CG2-CE 3.64Å; V261-M293 HydrophobicContact CG2-SD 3.89Å; V264-M293 HydrophobicContact CG2-CE 4.38Å; I289-M293 HydrophobicContact CG2-CE 4.16Å; I289-M293 HydrophobicContact CG2-CG 3.99Å; I289-M293 VanDerWaalsContact O-CB 3.3Å; I289-M293 WeakPolarHBondContact O-CB 3.39Å; I289-M293 WeakPolarHBondContact O-CG 3.28Å; I289-M293 PolarHBondContact O-N 2.85Å; M293-S295 PolarHBondContact O-N 3.29Å; M293-L296 CarbonylContact O-C 3.53Å; M293-L296 PolarHBondContact O-N 3.34Å; M293-L296 VanDerWaalsContact O-N 3.14Å; M293-G297 PolarHBondContact O-N 2.79Å; M293-I298 CarbonylContact C-O 3.5Å; M293-I298 VanDerWaalsContact C-O 3.28Å; M293-I298 HydrophobicContact CB-CB 4.19Å; M293-I298 HydrophobicContact CB-CG2 4.48Å; M293-I298 PolarHBondContact O-N 3.09Å; M293-I298 HydrophobicContact SD-CB 4.23Å; M293-I298 HydrophobicContact SD-CD1 3.72Å; M293-I298 HydrophobicContact SD-CG2 4.25Å; M293-T300 HydrophobicContact CB-CG2 3.49Å; M293-T300 VanDerWaalsContact CB-CG2 3.49Å; M293-T300 HydrophobicContact CG-CG2 3.96Å
294T95.3Very high94.7Very high85 Ų8534.4 Ų34.452%0.52119%0.19SC..Hα-helixtrans-63.7-41.5178-56.50000111.8G290 L291 M292 L296 G297 I298G290-T294 WeakPolarHBondContact O-CB 3.15Å; G290-T294 PolarHBondContact O-N 2.93Å; G290-T294 PolarHBondContact O-OG1 3.27Å; L291-T294 PolarHBondContact O-N 3.24Å; M292-T294 VanDerWaalsContact C-N 3.29Å; M292-T294 PolarHBondContact O-N 2.63Å; T294-L296 PolarHBondContact O-N 3.11Å; T294-G297 PolarHBondContact O-N 3.26Å; T294-G297 VanDerWaalsContact O-N 3.15Å; T294-I298 PolarHBondContact N-O 3.11Å
295S95Very high94.2Very high66 Ų6633.8 Ų33.846%0.46220%0.195SC..Hα-helixtrans-65.9-25.6175.349.10000113.6L291 M292 M293 G297 A416L291-S295 PolarHBondContact O-N 2.79Å; L291-S295 PolarHBondContact O-OG 2.98Å; M292-S295 WeakPolarHBondContact CA-OG 3.15Å; M292-S295 PolarHBondContact O-N 2.96Å; M292-S295 PolarHBondContact O-OG 3.34Å; M293-S295 PolarHBondContact O-N 3.29Å; S295-G297 VanDerWaalsContact C-N 3.29Å; S295-A416 WeakPolarHBondContact OG-CB 3.48Å
296L96.2Very high93.7Very high34 Ų3433.5 Ų33.518%0.17820%0.204CC..THydrogen-bonded Turntrans-90.110.3176.3-62.3166.1000112.4V261 M292 M293 T294 I298 E412 V413 A416V261-L296 HydrophobicContact CB-CD1 4.48Å; V261-L296 HydrophobicContact CG1-CD1 4.01Å; V261-L296 HydrophobicContact CG2-CD1 3.66Å; M292-L296 HydrophobicContact CG-CD1 4.04Å; M292-L296 WeakPolarHBondContact O-CD1 3.12Å; M292-L296 VanDerWaalsContact O-CG 3.29Å; M292-L296 WeakPolarHBondContact O-CG 3.36Å; M292-L296 PolarHBondContact O-N 3.39Å; M292-L296 VanDerWaalsContact O-N 3.12Å; M293-L296 CarbonylContact O-C 3.53Å; M293-L296 PolarHBondContact O-N 3.34Å; M293-L296 VanDerWaalsContact O-N 3.14Å; T294-L296 PolarHBondContact O-N 3.11Å; L296-I298 VanDerWaalsContact C-N 3.33Å; L296-I298 PolarHBondContact O-N 3.29Å; L296-E412 HydrophobicContact CD2-CG 3.77Å; L296-V413 HydrophobicContact CD1-CG2 3.92Å; L296-A416 HydrophobicContact CD1-CB 4.2Å; L296-A416 HydrophobicContact CD2-CB 3.93Å; L296-A416 HydrophobicContact CG-CB 3.92Å
297G95.1Very high93.2Very high64 Ų6435.2 Ų35.266%0.6621%0.212SC*.THydrogen-bonded Turntrans83-0.7177.200000115.6M293 T294 S295 K299M293-G297 PolarHBondContact O-N 2.79Å; T294-G297 PolarHBondContact O-N 3.26Å; T294-G297 VanDerWaalsContact O-N 3.15Å; S295-G297 VanDerWaalsContact C-N 3.29Å; G297-K299 PolarHBondContact O-N 3.34Å
298I95.7Very high92.7Very high14 Ų1436.7 Ų36.77%0.07222%0.224CC..  trans-87.5111.6178-58.8171.4000109.2V261 V264 D265 L268 M293 T294 L296 T300 V326V261-I298 HydrophobicContact CG1-CD1 4.16Å; V264-I298 HydrophobicContact CG1-CD1 4.25Å; V264-I298 HydrophobicContact CG1-CG2 4.06Å; D265-I298 HydrophobicContact CB-CD1 4.36Å; L268-I298 HydrophobicContact CD1-CG2 4.44Å; M293-I298 CarbonylContact C-O 3.5Å; M293-I298 VanDerWaalsContact C-O 3.28Å; M293-I298 HydrophobicContact CB-CB 4.19Å; M293-I298 HydrophobicContact CB-CG2 4.48Å; M293-I298 PolarHBondContact O-N 3.09Å; M293-I298 HydrophobicContact SD-CB 4.23Å; M293-I298 HydrophobicContact SD-CD1 3.72Å; M293-I298 HydrophobicContact SD-CG2 4.25Å; T294-I298 PolarHBondContact N-O 3.11Å; L296-I298 VanDerWaalsContact C-N 3.33Å; L296-I298 PolarHBondContact O-N 3.29Å; I298-T300 HydrophobicContact CG2-CG2 4.07Å; I298-T300 PolarHBondContact O-N 3.43Å; I298-V326 HydrophobicContact CG2-CG2 4.22Å
299K95.4Very high91.7Very high166 Ų16639.5 Ų39.572%0.72224%0.237SC*.  trans-69.1121176.4-66.2-177.9-178177.10110.3G297G297-K299 PolarHBondContact O-N 3.34Å
300T96.5Very high91Very high19 Ų1947.6 Ų47.612%0.11727%0.272CS..EExtended strand (participates in β ladder)trans-128.3156178.8660000111.6M293 I298 V326 I328M293-T300 HydrophobicContact CB-CG2 3.49Å; M293-T300 VanDerWaalsContact CB-CG2 3.49Å; M293-T300 HydrophobicContact CG-CG2 3.96Å; I298-T300 HydrophobicContact CG2-CG2 4.07Å; I298-T300 PolarHBondContact O-N 3.43Å; T300-V326 CarbonylContact C-O 3.59Å; T300-V326 WeakPolarHBondContact CA-O 3.48Å; T300-V326 HydrophobicContact CG2-CB 3.94Å; T300-V326 HydrophobicContact CG2-CG1 3.78Å; T300-I328 HydrophobicContact CG2-CD1 3.98Å
301T95.4Very high90.6Very high7 Ų751.4 Ų51.44%0.04329%0.292CS..EExtended strand (participates in β ladder)trans-122.6151169.5-169.60000109.4S315 F319 I324 V326 L327 I328T301-S315 WeakPolarHBondContact OG1-CA 3.46Å; T301-S315 WeakPolarHBondContact OG1-CB 3.33Å; T301-S315 PolarHBondContact OG1-O 2.95Å; T301-S315 PolarHBondContact OG1-OG 3.34Å; T301-F319 HydrophobicContact CG2-CB 4.04Å; T301-I324 HydrophobicContact CG2-CB 4.38Å; T301-I324 HydrophobicContact CG2-CG2 3.98Å; T301-V326 PolarHBondContact N-O 2.93Å; T301-L327 HydrophobicContact CG2-CB 4.18Å; T301-L327 HydrophobicContact CG2-CD1 3.69Å; T301-L327 WeakPolarHBondContact O-CA 3.33Å; T301-I328 PolarHBondContact O-N 3.48Å
302L94.8Very high90.1Very high26 Ų2650 Ų5014%0.13628%0.284CS..EExtended strand (participates in β ladder)trans-113148.8-169.8-59.8-174.6000111.6C286 H287 M307 S315 I328C286-L302 VanDerWaalsContact O-CD2 3.3Å; C286-L302 WeakPolarHBondContact O-CD2 3.07Å; H287-L302 HydrophobicContact CB-CD1 4.42Å; L302-M307 HydrophobicContact CB-CE 4.41Å; L302-M307 HydrophobicContact CB-SD 4.04Å; L302-M307 WeakPolarHBondContact O-CE 3.34Å; L302-S315 WeakPolarHBondContact O-CB 3.38Å; L302-S315 PolarHBondContact O-OG 2.8Å; L302-S315 VanDerWaalsContact O-OG 3.08Å; L302-I328 CarbonylContact C-O 3.56Å; L302-I328 WeakPolarHBondContact CA-O 3.24Å; L302-I328 HydrophobicContact CD2-CB 3.83Å; L302-I328 HydrophobicContact CD2-CD1 3.9Å; L302-I328 HydrophobicContact CD2-CG1 4.37Å
303L91.5Very high89.4Confident0 Ų054.2 Ų54.20%031%0.306CS..EExtended strand (participates in β ladder)trans-147.1101.2174-175.969.2000111.5R312 L316 L327 I328 A329 T330 A333 L337 F339L303-R312 HydrophobicContact CD1-CB 3.83Å; L303-R312 HydrophobicContact CD1-CG 3.97Å; L303-L316 HydrophobicContact CD1-CD1 4.37Å; L303-L316 HydrophobicContact CD1-CG 4.35Å; L303-L316 HydrophobicContact CD2-CD2 4.13Å; L303-L327 HydrophobicContact CB-CD1 3.82Å; L303-I328 PolarHBondContact N-O 3.39Å; L303-A329 HydrophobicContact CB-CB 4.03Å; L303-A329 HydrophobicContact CD2-CB 4.31Å; L303-A329 VanDerWaalsContact O-CA 3.24Å; L303-A329 WeakPolarHBondContact O-CA 3.34Å; L303-T330 PolarHBondContact O-N 3.07Å; L303-A333 WeakPolarHBondContact CD2-O 3.34Å; L303-A333 HydrophobicContact CG-CB 4.01Å; L303-A333 WeakPolarHBondContact O-CB 3.36Å; L303-L337 HydrophobicContact CD1-CD1 4.33Å; L303-L337 HydrophobicContact CD2-CD1 3.5Å; L303-L337 HydrophobicContact CG-CD1 4.4Å; L303-F339 HydrophobicContact CD2-CE1 4.06Å; L303-F339 HydrophobicContact CD2-CZ 3.57Å
304H89.4Confident89Confident4 Ų457.2 Ų57.22%0.01933%0.326CS..  trans-146.3163.417858.284.1000111.8C283 C286 H287 S306 M307 T330 F429C283-H304 HydrophobicContact CB-CB 4.08Å; C286-H304 HydrophobicContact CB-CB 4.35Å; H287-H304 AromaticContact ND1-NE2 3.81Å; H304-S306 VanDerWaalsContact C-N 3.28Å; H304-S306 PolarHBondContact CE1-OG 2.92Å; H304-S306 PolarHBondContact ND1-OG 2.82Å; H304-S306 PolarHBondContact O-N 3.32Å; H304-M307 WeakPolarHBondContact CE1-CG 3.22Å; H304-M307 WeakPolarHBondContact O-CB 3.38Å; H304-M307 PolarHBondContact O-N 3.21Å; H304-T330 HydrophobicContact CB-CG2 3.9Å; H304-F429 AromaticContact CE1-CZ 3.93Å
305S80.9Confident88.8Confident61 Ų6153.8 Ų53.843%0.42731%0.306SS..THydrogen-bonded Turntrans-71-15.9-169.757.10000115.2C283 M307C283-S305 PolarHBondContact SG-OG 3.09Å; S305-M307 VanDerWaalsContact C-N 3.34Å
306S82.2Confident88.4Confident62 Ų6251.1 Ų51.143%0.43429%0.286SS..THydrogen-bonded Turntrans-82.2-9174.261.20000114.3H304 F429H304-S306 VanDerWaalsContact C-N 3.28Å; H304-S306 PolarHBondContact CE1-OG 2.92Å; H304-S306 PolarHBondContact ND1-OG 2.82Å; H304-S306 PolarHBondContact O-N 3.32Å; S306-F429 WeakPolarHBondContact OG-CZ 3.27Å
307M84.3Confident88.1Confident36 Ų3653.1 Ų53.118%0.17730%0.3CS..SBendtrans-73.3150.6174.1-64.117471.700111.3L302 H304 S305 N311 R312L302-M307 HydrophobicContact CB-CE 4.41Å; L302-M307 HydrophobicContact CB-SD 4.04Å; L302-M307 WeakPolarHBondContact O-CE 3.34Å; H304-M307 WeakPolarHBondContact CE1-CG 3.22Å; H304-M307 WeakPolarHBondContact O-CB 3.38Å; H304-M307 PolarHBondContact O-N 3.21Å; S305-M307 VanDerWaalsContact C-N 3.34Å; M307-N311 HydrophobicContact CE-CB 3.85Å; M307-R312 HydrophobicContact CB-CG 3.55Å; M307-R312 HydrophobicContact SD-CG 4.33Å
308T81.7Confident88Confident72 Ų7252.4 Ų52.444%0.44228%0.281SS..  trans-66.6151.5169.5660000110K310 N311 R312T308-K310 PolarHBondContact O-N 3.21Å; T308-N311 PolarHBondContact O-N 2.96Å; T308-N311 WeakPolarHBondContact OG1-CB 3.45Å; T308-N311 PolarHBondContact OG1-N 3.2Å; T308-N311 PolarHBondContact OG1-ND2 2.83Å; T308-N311 PolarHBondContact OG1-OD1 3.08Å; T308-R312 WeakPolarHBondContact O-CG 3.27Å; T308-R312 PolarHBondContact O-N 3.47Å
309Q74.5Confident87.9Confident66 Ų6651.7 Ų51.731%0.30828%0.277SS..Hα-helixtrans-58.5-39.3179.9-169.562.41500112.2N311 R312 I313Q309-N311 VanDerWaalsContact C-N 3.34Å; Q309-N311 PolarHBondContact O-N 2.81Å; Q309-R312 PolarHBondContact O-N 3.08Å; Q309-I313 HydrophobicContact CG-CD1 4.07Å; Q309-I313 WeakPolarHBondContact O-CG1 3.27Å; Q309-I313 PolarHBondContact O-N 2.85Å
310K82.1Confident87.5Confident171 Ų17149 Ų4974%0.74326%0.262SS*.Hα-helixtrans-55.4-47.2174.1-176-179.1179.4-179.20111.8T308 I313 S314T308-K310 PolarHBondContact O-N 3.21Å; K310-I313 PolarHBondContact O-N 3.02Å; K310-S314 WeakPolarHBondContact O-CB 3.44Å; K310-S314 PolarHBondContact O-N 3.07Å
311N87.3Confident87.3Confident84 Ų8450.9 Ų50.945%0.44928%0.277SS..Hα-helixtrans-68.5-37.1-179.6-68.32.1000111.5M307 T308 Q309 S314 S315M307-N311 HydrophobicContact CE-CB 3.85Å; T308-N311 PolarHBondContact O-N 2.96Å; T308-N311 WeakPolarHBondContact OG1-CB 3.45Å; T308-N311 PolarHBondContact OG1-N 3.2Å; T308-N311 PolarHBondContact OG1-ND2 2.83Å; T308-N311 PolarHBondContact OG1-OD1 3.08Å; Q309-N311 VanDerWaalsContact C-N 3.34Å; Q309-N311 PolarHBondContact O-N 2.81Å; N311-S314 PolarHBondContact O-N 3.28Å; N311-S315 WeakPolarHBondContact O-CB 3.32Å; N311-S315 PolarHBondContact O-N 3.43Å; N311-S315 PolarHBondContact O-OG 3.01Å
312R84.6Confident87.1Confident12 Ų1252.8 Ų52.85%0.04529%0.29CS..Hα-helixtrans-64.4-44.1177-65.417567-17012.3112.2E80 L303 M307 T308 Q309 S315 L316 A333E80-R312 IonicContact OE1-CZ 3.33Å; E80-R312 IonicContact OE1-NH1 2.79Å; E80-R312 PolarHBondContact OE1-NH1 2.82Å; E80-R312 IonicContact OE1-NH2 3.39Å; E80-R312 PolarHBondContact OE1-NH2 3.32Å; E80-R312 VanDerWaalsContact OE1-NH2 3.15Å; E80-R312 IonicContact OE2-CZ 2.9Å; E80-R312 IonicContact OE2-NH1 3.7Å; E80-R312 IonicContact OE2-NH2 3.92Å; E80-R312 PolarHBondContact OE2-NH2 3.37Å; L303-R312 HydrophobicContact CD1-CB 3.83Å; L303-R312 HydrophobicContact CD1-CG 3.97Å; M307-R312 HydrophobicContact CB-CG 3.55Å; M307-R312 HydrophobicContact SD-CG 4.33Å; T308-R312 WeakPolarHBondContact O-CG 3.27Å; T308-R312 PolarHBondContact O-N 3.47Å; Q309-R312 PolarHBondContact O-N 3.08Å; R312-S315 PolarHBondContact O-N 3.37Å; R312-L316 WeakPolarHBondContact O-CB 3.13Å; R312-L316 WeakPolarHBondContact O-CD1 3.34Å; R312-L316 VanDerWaalsContact O-CG 3.3Å; R312-L316 WeakPolarHBondContact O-CG 3.44Å; R312-L316 PolarHBondContact O-N 3.06Å; R312-A333 PolarHBondContact NH2-O 3.46Å
313I82.1Confident87.1Confident90 Ų9058.1 Ų58.146%0.46231%0.314SS..Hα-helixtrans-61.3-47.7174.7-66.6167.1000109.7Q309 K310 S315 L316 T317Q309-I313 HydrophobicContact CG-CD1 4.07Å; Q309-I313 WeakPolarHBondContact O-CG1 3.27Å; Q309-I313 PolarHBondContact O-N 2.85Å; K310-I313 PolarHBondContact O-N 3.02Å; I313-S315 PolarHBondContact O-N 3.31Å; I313-L316 WeakPolarHBondContact O-CB 3.22Å; I313-L316 PolarHBondContact O-N 2.98Å; I313-T317 PolarHBondContact O-N 3.18Å; I313-T317 PolarHBondContact O-OG1 2.74Å
314S89.6Confident87.2Confident62 Ų6259.4 Ų59.443%0.43432%0.321SS..Hα-helixtrans-56.4-48.4175.9-1740000112K310 N311 L316 T317 L318K310-S314 WeakPolarHBondContact O-CB 3.44Å; K310-S314 PolarHBondContact O-N 3.07Å; N311-S314 PolarHBondContact O-N 3.28Å; S314-L316 VanDerWaalsContact C-N 3.32Å; S314-L316 PolarHBondContact O-N 3.18Å; S314-T317 PolarHBondContact O-N 3.15Å; S314-T317 VanDerWaalsContact O-N 3.15Å; S314-L318 WeakPolarHBondContact O-CG 3.43Å; S314-L318 PolarHBondContact O-N 2.89Å
315S91.2Very high87.5Confident13 Ų1362.6 Ų62.69%0.09133%0.333CS..Hα-helixtrans-59.8-40.9177.6-75.40000113.1T301 L302 N311 R312 I313 F319T301-S315 WeakPolarHBondContact OG1-CA 3.46Å; T301-S315 WeakPolarHBondContact OG1-CB 3.33Å; T301-S315 PolarHBondContact OG1-O 2.95Å; T301-S315 PolarHBondContact OG1-OG 3.34Å; L302-S315 WeakPolarHBondContact O-CB 3.38Å; L302-S315 PolarHBondContact O-OG 2.8Å; L302-S315 VanDerWaalsContact O-OG 3.08Å; N311-S315 WeakPolarHBondContact O-CB 3.32Å; N311-S315 PolarHBondContact O-N 3.43Å; N311-S315 PolarHBondContact O-OG 3.01Å; R312-S315 PolarHBondContact O-N 3.37Å; I313-S315 PolarHBondContact O-N 3.31Å; S315-F319 PolarHBondContact O-N 2.85Å; S315-F319 VanDerWaalsContact O-N 3.16Å
316L86.7Confident88.2Confident11 Ų1159.7 Ų59.76%0.05831%0.313CS..Hα-helixtrans-65.5-42.3174.1-75.9160.9000112.3L303 R312 I313 S314 F319 R320 L337 F339L303-L316 HydrophobicContact CD1-CD1 4.37Å; L303-L316 HydrophobicContact CD1-CG 4.35Å; L303-L316 HydrophobicContact CD2-CD2 4.13Å; R312-L316 WeakPolarHBondContact O-CB 3.13Å; R312-L316 WeakPolarHBondContact O-CD1 3.34Å; R312-L316 VanDerWaalsContact O-CG 3.3Å; R312-L316 WeakPolarHBondContact O-CG 3.44Å; R312-L316 PolarHBondContact O-N 3.06Å; I313-L316 WeakPolarHBondContact O-CB 3.22Å; I313-L316 PolarHBondContact O-N 2.98Å; S314-L316 VanDerWaalsContact C-N 3.32Å; S314-L316 PolarHBondContact O-N 3.18Å; L316-F319 PolarHBondContact O-N 2.83Å; L316-R320 VanDerWaalsContact O-CB 3.28Å; L316-R320 WeakPolarHBondContact O-CB 3.48Å; L316-R320 VanDerWaalsContact O-CG 3.28Å; L316-R320 WeakPolarHBondContact O-CG 2.93Å; L316-R320 PolarHBondContact O-N 2.69Å; L316-L337 HydrophobicContact CD1-CD1 3.82Å; L316-L337 HydrophobicContact CD1-CD2 3.66Å; L316-L337 HydrophobicContact CD1-CG 4.35Å; L316-L337 HydrophobicContact CD2-CD1 3.95Å; L316-L337 HydrophobicContact CG-CD1 4.42Å; L316-F339 HydrophobicContact CD2-CD1 3.94Å; L316-F339 HydrophobicContact CD2-CE1 3.18Å; L316-F339 HydrophobicContact CD2-CZ 3.75Å
317T88.9Confident88.9Confident76 Ų7656.8 Ų56.847%0.46629%0.292SS..Hα-helixtrans-63-44177.5-610000111.1I313 S314 F319 R320 S321I313-T317 PolarHBondContact O-N 3.18Å; I313-T317 PolarHBondContact O-OG1 2.74Å; S314-T317 PolarHBondContact O-N 3.15Å; S314-T317 VanDerWaalsContact O-N 3.15Å; T317-F319 VanDerWaalsContact C-N 3.29Å; T317-F319 PolarHBondContact O-N 2.91Å; T317-R320 PolarHBondContact O-N 3.37Å; T317-S321 VanDerWaalsContact O-CB 3.32Å; T317-S321 WeakPolarHBondContact O-CB 3.28Å; T317-S321 PolarHBondContact O-N 2.7Å; T317-S321 PolarHBondContact O-OG 2.8Å
318L93.3Very high89.4Confident48 Ų4855 Ų5525%0.25128%0.284SS..Hα-helixtrans-61.2-38.5177.3-68.9170.2000112.1S314 S321 Q323 I324S314-L318 WeakPolarHBondContact O-CG 3.43Å; S314-L318 PolarHBondContact O-N 2.89Å; L318-S321 PolarHBondContact O-OG 3.28Å; L318-Q323 HydrophobicContact CD2-CB 4.34Å; L318-Q323 PolarHBondContact O-N 2.81Å; L318-Q323 VanDerWaalsContact O-N 3.11Å; L318-I324 HydrophobicContact CB-CB 4.47Å; L318-I324 HydrophobicContact CB-CD1 4.04Å; L318-I324 HydrophobicContact CB-CG1 4.26Å; L318-I324 HydrophobicContact CD1-CD1 3.87Å; L318-I324 HydrophobicContact CG-CD1 4.43Å; L318-I324 PolarHBondContact O-N 2.78Å; L318-I324 VanDerWaalsContact O-N 3.1Å
319F92.7Very high90Very high0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-73.8-47.2176.3-171.8-111.8000112.6L275 T301 S315 L316 T317 S321 S322 I324 L327 F339 P340 V342L275-F319 HydrophobicContact CB-CE2 4.27Å; L275-F319 HydrophobicContact CB-CZ 4Å; L275-F319 HydrophobicContact CD2-CE2 4.17Å; T301-F319 HydrophobicContact CG2-CB 4.04Å; S315-F319 PolarHBondContact O-N 2.85Å; S315-F319 VanDerWaalsContact O-N 3.16Å; L316-F319 PolarHBondContact O-N 2.83Å; T317-F319 VanDerWaalsContact C-N 3.29Å; T317-F319 PolarHBondContact O-N 2.91Å; F319-S321 VanDerWaalsContact C-N 3.3Å; F319-S321 PolarHBondContact O-N 3.02Å; F319-S322 PolarHBondContact O-N 3.08Å; F319-I324 WeakPolarHBondContact CD2-O 3.24Å; F319-L327 HydrophobicContact CD1-CB 4.16Å; F319-L327 HydrophobicContact CD1-CD2 3.84Å; F319-L327 HydrophobicContact CD2-CB 3.49Å; F319-L327 VanDerWaalsContact CD2-CB 3.49Å; F319-L327 HydrophobicContact CE1-CB 4.18Å; F319-L327 HydrophobicContact CE1-CD2 3.97Å; F319-L327 HydrophobicContact CE2-CB 3.51Å; F319-L327 HydrophobicContact CG-CB 3.82Å; F319-L327 HydrophobicContact CG-CD2 4.19Å; F319-L327 HydrophobicContact CZ-CB 3.85Å; F319-L327 HydrophobicContact CZ-CD2 4.42Å; F319-F339 HydrophobicContact CD1-CD1 4.01Å; F319-F339 HydrophobicContact CE1-CD1 4.11Å; F319-P340 HydrophobicContact CD1-CG 4.2Å; F319-P340 HydrophobicContact CE1-CG 4.02Å; F319-V342 HydrophobicContact CE1-CG1 3.82Å; F319-V342 HydrophobicContact CZ-CG1 3.66Å
320R88.5Confident90.8Very high109 Ų10948.8 Ų48.841%0.41125%0.25SC..Hα-helixtrans-59.2-38.8178.4-79174.1174.7178.4-0.4112.6L316 T317 S322 D338L316-R320 VanDerWaalsContact O-CB 3.28Å; L316-R320 WeakPolarHBondContact O-CB 3.48Å; L316-R320 VanDerWaalsContact O-CG 3.28Å; L316-R320 WeakPolarHBondContact O-CG 2.93Å; L316-R320 PolarHBondContact O-N 2.69Å; T317-R320 PolarHBondContact O-N 3.37Å; R320-S322 PolarHBondContact O-N 3.18Å; R320-D338 VanDerWaalsContact CZ-O 3.24Å; R320-D338 PolarHBondContact NE-O 2.78Å; R320-D338 PolarHBondContact NH2-O 3.2Å
321S91Very high90.9Very high59 Ų5941.9 Ų41.941%0.41322%0.221SC..THydrogen-bonded Turntrans-78.82.5176.8590000113.9T317 L318 F319 Q323T317-S321 VanDerWaalsContact O-CB 3.32Å; T317-S321 WeakPolarHBondContact O-CB 3.28Å; T317-S321 PolarHBondContact O-N 2.7Å; T317-S321 PolarHBondContact O-OG 2.8Å; L318-S321 PolarHBondContact O-OG 3.28Å; F319-S321 VanDerWaalsContact C-N 3.3Å; F319-S321 PolarHBondContact O-N 3.02Å; S321-Q323 PolarHBondContact O-N 3.29Å; S321-Q323 WeakPolarHBondContact OG-CG 3.37Å
322S92.7Very high90.1Very high47 Ų4742 Ų4233%0.32922%0.221SC..THydrogen-bonded Turntrans5715.6-175.7-55.60000115.2F319 R320 I324F319-S322 PolarHBondContact O-N 3.08Å; R320-S322 PolarHBondContact O-N 3.18Å; S322-I324 VanDerWaalsContact C-N 3.28Å
323Q93.3Very high89.2Confident138 Ų13841.4 Ų41.465%0.64522%0.219SC*.SBendtrans-66.6-34.5172.7-70.6-177.820.400111.2L318 S321L318-Q323 HydrophobicContact CD2-CB 4.34Å; L318-Q323 PolarHBondContact O-N 2.81Å; L318-Q323 VanDerWaalsContact O-N 3.11Å; S321-Q323 PolarHBondContact O-N 3.29Å; S321-Q323 WeakPolarHBondContact OG-CG 3.37Å
324I94.7Very high88.3Confident27 Ų2737.3 Ų37.314%0.13820%0.198CC..SBendtrans-120.8125.3169.6-63178.6000108.1T301 L318 F319 S322 V326T301-I324 HydrophobicContact CG2-CB 4.38Å; T301-I324 HydrophobicContact CG2-CG2 3.98Å; L318-I324 HydrophobicContact CB-CB 4.47Å; L318-I324 HydrophobicContact CB-CD1 4.04Å; L318-I324 HydrophobicContact CB-CG1 4.26Å; L318-I324 HydrophobicContact CD1-CD1 3.87Å; L318-I324 HydrophobicContact CG-CD1 4.43Å; L318-I324 PolarHBondContact O-N 2.78Å; L318-I324 VanDerWaalsContact O-N 3.1Å; F319-I324 WeakPolarHBondContact CD2-O 3.24Å; S322-I324 VanDerWaalsContact C-N 3.28Å; I324-V326 WeakPolarHBondContact CG2-O 3.22Å
325R94.7Very high87.4Confident70 Ų7034.7 Ų34.726%0.26418%0.179SC..  trans-91.2-13.1-174.3-63.3-171.5-171.9-74.6-0.8114.4L268 P272 H273 L275 I276L268-R325 HydrophobicContact CD2-CB 4.16Å; P272-R325 WeakPolarHBondContact O-CD 3.43Å; P272-R325 VanDerWaalsContact O-CZ 3.28Å; P272-R325 PolarHBondContact O-NE 3.05Å; H273-R325 PolarHBondContact ND1-NH2 2.91Å; H273-R325 PolarHBondContact O-NH1 3.37Å; L275-R325 HydrophobicContact CD2-CB 4.41Å; L275-R325 HydrophobicContact CD2-CG 4.41Å; I276-R325 PolarHBondContact N-O 2.73Å
326V96.6Very high85.9Confident1 Ų134.3 Ų34.31%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-118.8115.2-177.8-174.90000109.9V264 L268 I276 I278 I298 T300 T301 I324V264-V326 HydrophobicContact CG1-CG2 4.03Å; L268-V326 HydrophobicContact CD1-CG2 3.85Å; I276-V326 HydrophobicContact CB-CG2 4.23Å; I276-V326 HydrophobicContact CD1-CG2 4.28Å; I276-V326 HydrophobicContact CG2-CG1 4.44Å; I276-V326 WeakPolarHBondContact O-CA 3.12Å; I278-V326 HydrophobicContact CD1-CG1 3.53Å; I278-V326 HydrophobicContact CG1-CG1 4.22Å; I298-V326 HydrophobicContact CG2-CG2 4.22Å; T300-V326 CarbonylContact C-O 3.59Å; T300-V326 WeakPolarHBondContact CA-O 3.48Å; T300-V326 HydrophobicContact CG2-CB 3.94Å; T300-V326 HydrophobicContact CG2-CG1 3.78Å; T301-V326 PolarHBondContact N-O 2.93Å; I324-V326 WeakPolarHBondContact CG2-O 3.22Å
327L95.6Very high85Confident0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-106.4123.4173.5170.368.4000109.8I276 M277 I278 T301 L303 F319 A329 F339I276-L327 PolarHBondContact O-N 2.69Å; M277-L327 CarbonylContact C-O 3.56Å; M277-L327 WeakPolarHBondContact CA-O 3.21Å; M277-L327 HydrophobicContact CE-CD2 3.84Å; M277-L327 HydrophobicContact CG-CD2 4.31Å; M277-L327 HydrophobicContact SD-CD2 4.47Å; I278-L327 PolarHBondContact N-O 3.2Å; T301-L327 HydrophobicContact CG2-CB 4.18Å; T301-L327 HydrophobicContact CG2-CD1 3.69Å; T301-L327 WeakPolarHBondContact O-CA 3.33Å; L303-L327 HydrophobicContact CB-CD1 3.82Å; F319-L327 HydrophobicContact CD1-CB 4.16Å; F319-L327 HydrophobicContact CD1-CD2 3.84Å; F319-L327 HydrophobicContact CD2-CB 3.49Å; F319-L327 VanDerWaalsContact CD2-CB 3.49Å; F319-L327 HydrophobicContact CE1-CB 4.18Å; F319-L327 HydrophobicContact CE1-CD2 3.97Å; F319-L327 HydrophobicContact CE2-CB 3.51Å; F319-L327 HydrophobicContact CG-CB 3.82Å; F319-L327 HydrophobicContact CG-CD2 4.19Å; F319-L327 HydrophobicContact CZ-CB 3.85Å; F319-L327 HydrophobicContact CZ-CD2 4.42Å; L327-A329 HydrophobicContact CG-CB 4.45Å; L327-F339 HydrophobicContact CD2-CD1 3.76Å; L327-F339 HydrophobicContact CD2-CE1 3.21Å; L327-F339 HydrophobicContact CD2-CZ 3.95Å
328I96.5Very high84Confident0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-102.6122.2171.5-51.9160.2000108I278 T280 C286 I289 T300 T301 L302 L303I278-I328 HydrophobicContact CB-CG1 4.15Å; I278-I328 HydrophobicContact CB-CG2 4.44Å; I278-I328 HydrophobicContact CD1-CG1 4.11Å; I278-I328 HydrophobicContact CG2-CG2 4.44Å; I278-I328 CarbonylContact O-C 3.53Å; I278-I328 WeakPolarHBondContact O-CA 3.46Å; T280-I328 HydrophobicContact CG2-CG2 4.26Å; C286-I328 HydrophobicContact CB-CG2 4.44Å; C286-I328 PolarHBondContact SG-O 2.95Å; I289-I328 HydrophobicContact CB-CD1 4.13Å; I289-I328 HydrophobicContact CG2-CD1 3.64Å; I289-I328 HydrophobicContact CG2-CG1 4.39Å; T300-I328 HydrophobicContact CG2-CD1 3.98Å; T301-I328 PolarHBondContact O-N 3.48Å; L302-I328 CarbonylContact C-O 3.56Å; L302-I328 WeakPolarHBondContact CA-O 3.24Å; L302-I328 HydrophobicContact CD2-CB 3.83Å; L302-I328 HydrophobicContact CD2-CD1 3.9Å; L302-I328 HydrophobicContact CD2-CG1 4.37Å; L303-I328 PolarHBondContact N-O 3.39Å
329A94.2Very high83.1Confident0 Ų032.8 Ų32.80%017%0.166CC..EExtended strand (participates in β ladder)trans-134.3153.1-174.700000113.3M277 I278 F279 T280 L303 L327M277-A329 HydrophobicContact CE-CB 3.95Å; I278-A329 PolarHBondContact O-N 3.39Å; F279-A329 WeakPolarHBondContact CA-O 3.47Å; F279-A329 HydrophobicContact CD1-CB 4.45Å; F279-A329 HydrophobicContact CE1-CB 4.3Å; T280-A329 PolarHBondContact N-O 3.32Å; L303-A329 HydrophobicContact CB-CB 4.03Å; L303-A329 HydrophobicContact CD2-CB 4.31Å; L303-A329 VanDerWaalsContact O-CA 3.24Å; L303-A329 WeakPolarHBondContact O-CA 3.34Å; L327-A329 HydrophobicContact CG-CB 4.45Å
330T91.3Very high82.3Confident6 Ų634.6 Ų34.64%0.03718%0.178CC..EExtended strand (participates in β ladder)trans-91.2156.6163.663.30000111T280 C286 L303 H304 L332 A333 S334T280-T330 HydrophobicContact CG2-CG2 4.35Å; T280-T330 WeakPolarHBondContact O-CA 3.48Å; C286-T330 HydrophobicContact CB-CG2 4.11Å; L303-T330 PolarHBondContact O-N 3.07Å; H304-T330 HydrophobicContact CB-CG2 3.9Å; T330-L332 PolarHBondContact O-N 2.83Å; T330-A333 PolarHBondContact O-N 3.06Å; T330-S334 WeakPolarHBondContact O-CB 3.44Å; T330-S334 PolarHBondContact O-N 2.81Å; T330-S334 VanDerWaalsContact O-N 3.09Å; T330-S334 PolarHBondContact O-OG 2.89Å
331D83.1Confident82Confident26 Ų2631.7 Ų31.714%0.13917%0.172CC..Hα-helixtrans-49.2-58.7176.7-67.5-70.7000110.8A333 S334 R335 R360D331-A333 PolarHBondContact O-N 3.44Å; D331-A333 VanDerWaalsContact O-N 3.11Å; D331-S334 PolarHBondContact O-N 2.77Å; D331-S334 VanDerWaalsContact O-N 3.09Å; D331-S334 PolarHBondContact O-OG 2.87Å; D331-R335 WeakPolarHBondContact O-CG 3.3Å; D331-R335 PolarHBondContact O-N 2.93Å; D331-R360 IonicContact OD1-CZ 2.7Å; D331-R360 IonicContact OD1-NE 2.61Å; D331-R360 PolarHBondContact OD1-NE 3.37Å; D331-R360 IonicContact OD1-NH2 3.18Å; D331-R360 PolarHBondContact OD1-NH2 3.48Å; D331-R360 IonicContact OD2-CZ 3.72Å; D331-R360 IonicContact OD2-NE 2.6Å; D331-R360 IonicContact OD2-NH2 3.15Å; D331-R360 PolarHBondContact OD2-NH2 3.26Å
332L71.1Confident82Confident87 Ų8728.9 Ų28.946%0.45515%0.153SC..Hα-helixtrans-52.9-41.2-175.4-17662.9000112.7T78 T330T78-L332 HydrophobicContact CG2-CD1 4.1Å; T330-L332 PolarHBondContact O-N 2.83Å
333A64.5Low82Confident0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-84.5-16.7-173.600000114.1L303 R312 T330 D331 L337L303-A333 WeakPolarHBondContact CD2-O 3.34Å; L303-A333 HydrophobicContact CG-CB 4.01Å; L303-A333 WeakPolarHBondContact O-CB 3.36Å; R312-A333 PolarHBondContact NH2-O 3.46Å; T330-A333 PolarHBondContact O-N 3.06Å; D331-A333 PolarHBondContact O-N 3.44Å; D331-A333 VanDerWaalsContact O-N 3.11Å; A333-L337 WeakPolarHBondContact O-CD1 3.46Å
334S64.3Low82.1Confident4 Ų423.2 Ų23.23%0.02812%0.123CC..Hα-helixtrans-92.3-12.4178.270.40000114.4F279 T330 D331 F339F279-S334 VanDerWaalsContact CE1-OG 3.26Å; F279-S334 WeakPolarHBondContact CE1-OG 3.28Å; T330-S334 WeakPolarHBondContact O-CB 3.44Å; T330-S334 PolarHBondContact O-N 2.81Å; T330-S334 VanDerWaalsContact O-N 3.09Å; T330-S334 PolarHBondContact O-OG 2.89Å; D331-S334 PolarHBondContact O-N 2.77Å; D331-S334 VanDerWaalsContact O-N 3.09Å; D331-S334 PolarHBondContact O-OG 2.87Å; S334-F339 WeakPolarHBondContact O-CE2 3.41Å
335R70.2Confident82.1Confident7 Ų721.9 Ų21.93%0.02612%0.116CC..THydrogen-bonded Turntrans-73.8145.4-178-68163.3176.7-151.4-10.6109.7T78 R169 D173 D331 L337 D356T78-R335 HydrophobicContact CG2-CB 4.13Å; R169-R335 VanDerWaalsContact NE-NH2 3.2Å; D173-R335 IonicContact OD2-NH1 2.86Å; D331-R335 WeakPolarHBondContact O-CG 3.3Å; D331-R335 PolarHBondContact O-N 2.93Å; R335-L337 PolarHBondContact O-N 2.86Å; R335-L337 VanDerWaalsContact O-N 3.09Å; R335-D356 IonicContact CZ-OD1 3.81Å; R335-D356 IonicContact NH2-OD1 3.85Å; R335-D356 PolarHBondContact NH2-OD1 3.29Å; R335-D356 IonicContact NH2-OD2 3.73Å
336G60.6Low82.2Confident5 Ų518.6 Ų18.65%0.05210%0.104CC..THydrogen-bonded Turntrans49.533.2-176.800000115.9E80 L81 Q84E80-G336 CarbonylContact C-O 3.47Å; L81-G336 WeakPolarHBondContact CA-O 3.3Å; L81-G336 PolarHBondContact N-O 3.23Å; Q84-G336 PolarHBondContact OE1-O 3.09Å
337L67.7Low82.2Confident16 Ų1618.5 Ų18.58%0.08410%0.103CC..  trans-110.2134.7165.9-70.9171.3000108.8E80 Q84 L303 L316 A333 R335 F339 R363E80-L337 HydrophobicContact CB-CD1 4.45Å; E80-L337 HydrophobicContact CB-CD2 3.65Å; E80-L337 HydrophobicContact CB-CG 3.78Å; E80-L337 HydrophobicContact CG-CD1 4.17Å; E80-L337 HydrophobicContact CG-CD2 3.89Å; E80-L337 HydrophobicContact CG-CG 4.02Å; Q84-L337 VanDerWaalsContact OE1-C 3.25Å; L303-L337 HydrophobicContact CD1-CD1 4.33Å; L303-L337 HydrophobicContact CD2-CD1 3.5Å; L303-L337 HydrophobicContact CG-CD1 4.4Å; L316-L337 HydrophobicContact CD1-CD1 3.82Å; L316-L337 HydrophobicContact CD1-CD2 3.66Å; L316-L337 HydrophobicContact CD1-CG 4.35Å; L316-L337 HydrophobicContact CD2-CD1 3.95Å; L316-L337 HydrophobicContact CG-CD1 4.42Å; A333-L337 WeakPolarHBondContact O-CD1 3.46Å; R335-L337 PolarHBondContact O-N 2.86Å; R335-L337 VanDerWaalsContact O-N 3.09Å; L337-F339 HydrophobicContact CB-CD2 4.05Å; L337-F339 HydrophobicContact CB-CE2 3.42Å; L337-F339 VanDerWaalsContact CB-CE2 3.42Å; L337-F339 HydrophobicContact CB-CZ 3.69Å; L337-F339 HydrophobicContact CD1-CE2 4.22Å; L337-F339 HydrophobicContact CD1-CZ 3.75Å; L337-F339 HydrophobicContact CG-CE2 4.48Å; L337-F339 HydrophobicContact CG-CZ 4.42Å; L337-F339 WeakPolarHBondContact O-CD2 3.28Å; L337-F339 PolarHBondContact O-N 3.25Å; L337-R363 PolarHBondContact O-NH1 3.31Å
338D68.3Low82.3Confident82 Ų8218.6 Ų18.644%0.43910%0.104SC..  trans-79.2107.9171.1-168.223.2000109.2R320 R366R320-D338 VanDerWaalsContact CZ-O 3.24Å; R320-D338 PolarHBondContact NE-O 2.78Å; R320-D338 PolarHBondContact NH2-O 3.2Å; D338-R366 IonicContact OD1-NH1 3.89Å
339F73.5Confident82.2Confident4 Ų419.3 Ų19.32%0.01811%0.107CC..PPolyproline II helixtrans-101.8147.8174.6-67.1-79.8000108.7M277 L303 L316 F319 L327 S334 L337 R366M277-F339 HydrophobicContact CE-CD2 4.15Å; M277-F339 HydrophobicContact CE-CE1 4.13Å; M277-F339 HydrophobicContact CE-CE2 3.69Å; M277-F339 HydrophobicContact CE-CZ 3.69Å; L303-F339 HydrophobicContact CD2-CE1 4.06Å; L303-F339 HydrophobicContact CD2-CZ 3.57Å; L316-F339 HydrophobicContact CD2-CD1 3.94Å; L316-F339 HydrophobicContact CD2-CE1 3.18Å; L316-F339 HydrophobicContact CD2-CZ 3.75Å; F319-F339 HydrophobicContact CD1-CD1 4.01Å; F319-F339 HydrophobicContact CE1-CD1 4.11Å; L327-F339 HydrophobicContact CD2-CD1 3.76Å; L327-F339 HydrophobicContact CD2-CE1 3.21Å; L327-F339 HydrophobicContact CD2-CZ 3.95Å; S334-F339 WeakPolarHBondContact O-CE2 3.41Å; L337-F339 HydrophobicContact CB-CD2 4.05Å; L337-F339 HydrophobicContact CB-CE2 3.42Å; L337-F339 VanDerWaalsContact CB-CE2 3.42Å; L337-F339 HydrophobicContact CB-CZ 3.69Å; L337-F339 HydrophobicContact CD1-CE2 4.22Å; L337-F339 HydrophobicContact CD1-CZ 3.75Å; L337-F339 HydrophobicContact CG-CE2 4.48Å; L337-F339 HydrophobicContact CG-CZ 4.42Å; L337-F339 WeakPolarHBondContact O-CD2 3.28Å; L337-F339 PolarHBondContact O-N 3.25Å; F339-R366 PolarHBondContact O-NH1 3.32Å
340P76.6Confident82.2Confident39 Ų3919.3 Ų19.325%0.25311%0.108SC..PPolyproline II helixtrans-53.9152.5163.529.2-35.9000108.6L275 F319 V342L275-P340 HydrophobicContact CD1-CB 3.92Å; L275-P340 HydrophobicContact CD1-CG 3.57Å; F319-P340 HydrophobicContact CD1-CG 4.2Å; F319-P340 HydrophobicContact CE1-CG 4.02Å; P340-V342 WeakPolarHBondContact O-CG1 3.4Å; P340-V342 PolarHBondContact O-N 3.47Å
341T81.4Confident82.3Confident48 Ų4819.1 Ų19.129%0.29411%0.107SC..PPolyproline II helixtrans-59.7117.2173-56.20000107.8R366T341-R366 HydrophobicContact CG2-CB 3.83Å; T341-R366 HydrophobicContact CG2-CG 4.37Å; T341-R366 WeakPolarHBondContact OG1-CB 3.34Å
342V90.5Very high82.7Confident0 Ų023.9 Ų23.90%013%0.131CC..BIsolated β-bridgetrans-88.6147.2178.2-540000109.2L275 M277 F319 P340 V345 R363 T364L275-V342 HydrophobicContact CB-CB 4.28Å; L275-V342 HydrophobicContact CB-CG1 4.23Å; M277-V342 HydrophobicContact CB-CG1 4.25Å; M277-V342 HydrophobicContact CB-CG2 4.14Å; F319-V342 HydrophobicContact CE1-CG1 3.82Å; F319-V342 HydrophobicContact CZ-CG1 3.66Å; P340-V342 WeakPolarHBondContact O-CG1 3.4Å; P340-V342 PolarHBondContact O-N 3.47Å; V342-V345 HydrophobicContact CG2-CG2 3.64Å; V342-R363 HydrophobicContact CG2-CB 4.24Å; V342-R363 PolarHBondContact N-O 3.32Å; V342-T364 WeakPolarHBondContact O-CA 3.4Å; V342-T364 WeakPolarHBondContact O-CB 3.47Å; V342-T364 PolarHBondContact O-OG1 3.44Å
343D92.6Very high83.4Confident65 Ų6523.7 Ų23.735%0.34812%0.124SC..SBendtrans-77.5-35.2-179.4-54.4-74.7000110.9F267 S274 L275 T364 L372F267-D343 HydrophobicContact CE1-CB 4.32Å; F267-D343 HydrophobicContact CZ-CB 4.17Å; S274-D343 WeakPolarHBondContact CA-OD2 3.42Å; S274-D343 WeakPolarHBondContact CB-OD2 3.39Å; S274-D343 PolarHBondContact OG-OD2 2.95Å; L275-D343 PolarHBondContact N-OD2 3.12Å; L275-D343 PolarHBondContact O-N 3.09Å; D343-T364 PolarHBondContact O-OG1 2.98Å; D343-L372 PolarHBondContact O-N 3.4Å
344I95.1Very high84.6Confident0 Ų025.2 Ų25.20%013%0.134CC..EExtended strand (participates in β ladder)trans-135.8135.6-179.5-170.7176.7000112.6F267 L275 I276 M277 I346 L372 L374F267-I344 HydrophobicContact CD1-CG2 3.79Å; F267-I344 HydrophobicContact CD2-CD1 4.06Å; F267-I344 HydrophobicContact CE1-CB 4.05Å; F267-I344 HydrophobicContact CE1-CG2 3.47Å; F267-I344 VanDerWaalsContact CE1-CG2 3.47Å; F267-I344 HydrophobicContact CE2-CB 4.34Å; F267-I344 HydrophobicContact CE2-CD1 4.19Å; F267-I344 HydrophobicContact CE2-CG2 4.49Å; F267-I344 HydrophobicContact CG-CD1 4.32Å; F267-I344 HydrophobicContact CG-CG2 4.39Å; F267-I344 HydrophobicContact CZ-CB 3.91Å; F267-I344 HydrophobicContact CZ-CG2 3.88Å; L275-I344 PolarHBondContact O-N 3.42Å; I276-I344 HydrophobicContact CB-CG2 3.89Å; I276-I344 HydrophobicContact CD1-CG2 4.22Å; I276-I344 HydrophobicContact CG1-CG2 3.54Å; I276-I344 HydrophobicContact CG2-CG2 3.86Å; M277-I344 PolarHBondContact N-O 3.35Å; I344-I346 HydrophobicContact CD1-CD1 4.15Å; I344-I346 HydrophobicContact CD1-CG1 3.93Å; I344-I346 HydrophobicContact CG1-CG1 3.98Å; I344-L372 CarbonylContact C-O 3.59Å; I344-L372 VanDerWaalsContact CA-O 3.27Å; I344-L372 WeakPolarHBondContact CA-O 3.46Å; I344-L372 HydrophobicContact CB-CB 4.31Å; I344-L372 HydrophobicContact CD1-CD2 3.68Å; I344-L372 HydrophobicContact CD1-CG 4.15Å; I344-L372 HydrophobicContact CG1-CB 4.07Å; I344-L372 HydrophobicContact CG1-CD2 4.06Å; I344-L372 HydrophobicContact CG1-CG 4.02Å; I344-L374 HydrophobicContact CD1-CD1 3.72Å; I344-L374 HydrophobicContact CD1-CG 4.04Å
345V95.1Very high85.5Confident0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-109.4123.8167.9174.70000108.8M277 F279 V342 R360 R363 T364 L372 A373 L374M277-V345 CarbonylContact O-C 3.57Å; M277-V345 WeakPolarHBondContact O-CA 3.17Å; F279-V345 HydrophobicContact CD2-CG1 3.65Å; F279-V345 HydrophobicContact CE2-CG1 3.79Å; V342-V345 HydrophobicContact CG2-CG2 3.64Å; V345-R360 HydrophobicContact CG1-CB 4.44Å; V345-R363 HydrophobicContact CG2-CB 3.99Å; V345-T364 HydrophobicContact CB-CG2 4.33Å; V345-T364 HydrophobicContact CG2-CG2 3.77Å; V345-L372 PolarHBondContact N-O 3.25Å; V345-A373 CarbonylContact O-C 3.52Å; V345-A373 WeakPolarHBondContact O-CA 3.39Å; V345-L374 PolarHBondContact O-N 3.39Å
346I97.4Very high86.3Confident0 Ų026.7 Ų26.70%014%0.14CC..EExtended strand (participates in β ladder)trans-112.2113.9176.6-52.9177.4000109.3L260 T263 V264 I276 M277 I278 F279 I344 H348 L374 L376L260-I346 HydrophobicContact CD1-CB 4.47Å; L260-I346 HydrophobicContact CD1-CD1 4.42Å; L260-I346 HydrophobicContact CD1-CG2 3.65Å; T263-I346 HydrophobicContact CG2-CD1 4.1Å; V264-I346 HydrophobicContact CG2-CD1 3.76Å; I276-I346 HydrophobicContact CG2-CD1 3.91Å; I276-I346 HydrophobicContact CG2-CG1 4.35Å; M277-I346 PolarHBondContact O-N 3.05Å; I278-I346 CarbonylContact C-O 3.49Å; I278-I346 VanDerWaalsContact CA-O 3.28Å; I278-I346 WeakPolarHBondContact CA-O 3.39Å; I278-I346 HydrophobicContact CG1-CB 4.29Å; F279-I346 PolarHBondContact N-O 3.28Å; I344-I346 HydrophobicContact CD1-CD1 4.15Å; I344-I346 HydrophobicContact CD1-CG1 3.93Å; I344-I346 HydrophobicContact CG1-CG1 3.98Å; I346-H348 PolarHBondContact O-N 3.1Å; I346-L374 CarbonylContact C-O 3.54Å; I346-L374 WeakPolarHBondContact CA-O 3.45Å; I346-L376 HydrophobicContact CG2-CG 4.31Å
347N97.3Very high87.7Confident0 Ų026.4 Ų26.40%014%0.138CC..EExtended strand (participates in β ladder)trans-81.1101.2168.8-64.5-54.9000108.7N349 R360 L374 T375 L376N347-N349 PolarHBondContact O-N 2.99Å; N347-R360 WeakPolarHBondContact OD1-CD 3.45Å; N347-R360 PolarHBondContact OD1-NH1 2.85Å; N347-R360 VanDerWaalsContact OD1-NH1 3.08Å; N347-L374 PolarHBondContact N-O 2.95Å; N347-T375 HydrophobicContact CB-CG2 3.95Å; N347-T375 PolarHBondContact ND2-OG1 3.04Å; N347-L376 PolarHBondContact O-N 3.25Å
348H96.6Very high88.6Confident2 Ų226.7 Ų26.71%0.00914%0.14CC..SBendtrans-59.7-32174172.3-102.1000111.8K256 E257 I278 F279 I289 I346K256-H348 WeakPolarHBondContact CD-O 3.28Å; E257-H348 IonicContact OE1-NE2 3.34Å; I278-H348 HydrophobicContact CG2-CB 4.11Å; F279-H348 VanDerWaalsContact O-CB 3.29Å; F279-H348 WeakPolarHBondContact O-CB 3.33Å; F279-H348 PolarHBondContact O-N 2.98Å; I289-H348 HydrophobicContact CD1-CB 4.32Å; I346-H348 PolarHBondContact O-N 3.1Å
349N94.5Very high89.2Confident14 Ų1423.2 Ų23.28%0.07512%0.121CC..SBendtrans-129.2145.1171.7-56.2103000109.6T280 N347 P351 R360T280-N349 PolarHBondContact OG1-OD1 2.9Å; N347-N349 PolarHBondContact O-N 2.99Å; N349-P351 WeakPolarHBondContact O-CD 3.29Å; N349-R360 PolarHBondContact O-NH1 3.34Å
350V95.6Very high90Very high1 Ų123.1 Ų23.11%0.00612%0.121CC..  trans-59119.8170.6-173.90000109.4I352 T375 C377 E381 R384 L385 I388V350-I352 PolarHBondContact O-N 3.39Å; V350-T375 HydrophobicContact CB-CG2 4.45Å; V350-T375 HydrophobicContact CG2-CG2 3.81Å; V350-C377 HydrophobicContact CG2-CB 3.88Å; V350-E381 HydrophobicContact CB-CB 4.04Å; V350-E381 HydrophobicContact CB-CG 4.49Å; V350-E381 HydrophobicContact CG2-CB 3.63Å; V350-E381 HydrophobicContact CG2-CG 4.37Å; V350-R384 HydrophobicContact CB-CB 4.25Å; V350-R384 HydrophobicContact CG1-CB 3.6Å; V350-R384 PolarHBondContact O-NH1 2.89Å; V350-L385 HydrophobicContact CG1-CB 4.31Å; V350-I388 HydrophobicContact CG1-CD1 3.48Å; V350-I388 VanDerWaalsContact CG1-CD1 3.48Å
351P92.5Very high90.6Very high2 Ų221.4 Ų21.41%0.01311%0.109CC..  trans-49.9137.9179-27.632.8000112.3N349 D356 Y357 I388N349-P351 WeakPolarHBondContact O-CD 3.29Å; P351-D356 HydrophobicContact CB-CB 4.19Å; P351-Y357 HydrophobicContact CG-CD2 4.18Å; P351-I388 HydrophobicContact CB-CD1 4.28Å; P351-I388 HydrophobicContact CG-CD1 4.18Å
352I91Very high90.6Very high125 Ų12520.1 Ų20.164%0.64111%0.105SC*.SBendtrans-66.6-41.8179.2-62.7172.6000110.2V350V350-I352 PolarHBondContact O-N 3.39Å
353R87.1Confident90.4Very high83 Ų8320.7 Ų20.731%0.31311%0.108SC..SBendtrans-103.1130.3177.2-62.9-176-68.9-162.8-10.4109.8D173 K355 D356D173-R353 IonicContact OD1-CZ 2.73Å; D173-R353 IonicContact OD1-NH1 3.55Å; D173-R353 PolarHBondContact OD1-NH1 3.46Å; D173-R353 IonicContact OD1-NH2 3.24Å; R353-K355 PolarHBondContact O-N 3.27Å; R353-K355 VanDerWaalsContact O-N 3.15Å; R353-D356 HydrophobicContact CB-CB 4.5Å; R353-D356 IonicContact CZ-OD2 2.95Å; R353-D356 IonicContact NE-OD2 3.93Å; R353-D356 PolarHBondContact NE-OD2 2.98Å; R353-D356 IonicContact NH2-OD2 3.19Å; R353-D356 PolarHBondContact NH2-OD2 2.91Å; R353-D356 WeakPolarHBondContact O-CB 3.38Å; R353-D356 PolarHBondContact O-N 2.99Å
354P88.6Confident90.1Very high33 Ų3317.7 Ų17.721%0.2149%0.092CC..Hα-helixtrans-55.4-32176.2-30.837.4000115.1D356 Y357 V358 A387 I388 F391P354-D356 VanDerWaalsContact C-N 3.3Å; P354-D356 PolarHBondContact O-N 3.12Å; P354-Y357 VanDerWaalsContact O-CB 3.22Å; P354-Y357 WeakPolarHBondContact O-CB 3.44Å; P354-Y357 PolarHBondContact O-N 3.41Å; P354-V358 PolarHBondContact O-N 3.44Å; P354-A387 HydrophobicContact CG-CB 4.22Å; P354-I388 HydrophobicContact CB-CG1 4.25Å; P354-I388 HydrophobicContact CG-CG1 4.44Å; P354-F391 HydrophobicContact CB-CB 3.4Å; P354-F391 HydrophobicContact CB-CD1 3.62Å; P354-F391 HydrophobicContact CB-CD2 4.11Å; P354-F391 HydrophobicContact CB-CE1 4.45Å; P354-F391 HydrophobicContact CB-CG 3.42Å; P354-F391 VanDerWaalsContact CB-CG 3.42Å; P354-F391 HydrophobicContact CG-CB 4.14Å; P354-F391 HydrophobicContact CG-CG 4.45Å
355K82.6Confident89.4Confident32 Ų3218 Ų1814%0.1399%0.094CC..Hα-helixtrans-64.3-33.6175.1-60.4-178.9-174.21760113.7E172 T198 R353 Y357 V358 H359 F391E172-K355 IonicContact OE1-NZ 2.71Å; E172-K355 PolarHBondContact OE1-NZ 2.89Å; E172-K355 IonicContact OE2-NZ 3.17Å; E172-K355 PolarHBondContact OE2-NZ 3.32Å; T198-K355 HydrophobicContact CG2-CD 4.36Å; T198-K355 HydrophobicContact CG2-CG 4.35Å; R353-K355 PolarHBondContact O-N 3.27Å; R353-K355 VanDerWaalsContact O-N 3.15Å; K355-Y357 PolarHBondContact O-N 2.84Å; K355-V358 PolarHBondContact O-N 3.31Å; K355-H359 PolarHBondContact O-N 2.67Å; K355-H359 PolarHBondContact O-ND1 3.28Å; K355-H359 VanDerWaalsContact O-ND1 3.13Å; K355-F391 HydrophobicContact CG-CE1 4.08Å; K355-F391 HydrophobicContact CG-CE2 4.21Å; K355-F391 HydrophobicContact CG-CZ 3.63Å
356D87.6Confident88.5Confident9 Ų920.2 Ų20.25%0.04810%0.102CC..Hα-helixtrans-66.5-32.6177.5-72.9-34.4000110.5R169 R335 P351 R353 P354 V358 H359 R360R169-D356 IonicContact NH2-OD1 3.8Å; R169-D356 PolarHBondContact NH2-OD1 3.41Å; R335-D356 IonicContact CZ-OD1 3.81Å; R335-D356 IonicContact NH2-OD1 3.85Å; R335-D356 PolarHBondContact NH2-OD1 3.29Å; R335-D356 IonicContact NH2-OD2 3.73Å; P351-D356 HydrophobicContact CB-CB 4.19Å; R353-D356 HydrophobicContact CB-CB 4.5Å; R353-D356 IonicContact CZ-OD2 2.95Å; R353-D356 IonicContact NE-OD2 3.93Å; R353-D356 PolarHBondContact NE-OD2 2.98Å; R353-D356 IonicContact NH2-OD2 3.19Å; R353-D356 PolarHBondContact NH2-OD2 2.91Å; R353-D356 WeakPolarHBondContact O-CB 3.38Å; R353-D356 PolarHBondContact O-N 2.99Å; P354-D356 VanDerWaalsContact C-N 3.3Å; P354-D356 PolarHBondContact O-N 3.12Å; D356-V358 PolarHBondContact O-N 3.13Å; D356-H359 PolarHBondContact O-N 2.88Å; D356-R360 WeakPolarHBondContact O-CB 3.29Å; D356-R360 WeakPolarHBondContact O-CG 3.47Å; D356-R360 PolarHBondContact O-N 3.24Å
357Y90.7Very high87.1Confident0 Ų025.1 Ų25.10%014%0.143CC..Hα-helixtrans-56.1-52.4170.4179.8-95.1000111.9Q246 P351 P354 K355 H359 R360 V361 I388 I392 L396Q246-Y357 PolarHBondContact OE1-OH 3.14Å; Q246-Y357 VanDerWaalsContact OE1-OH 3.1Å; P351-Y357 HydrophobicContact CG-CD2 4.18Å; P354-Y357 VanDerWaalsContact O-CB 3.22Å; P354-Y357 WeakPolarHBondContact O-CB 3.44Å; P354-Y357 PolarHBondContact O-N 3.41Å; K355-Y357 PolarHBondContact O-N 2.84Å; Y357-H359 VanDerWaalsContact C-N 3.27Å; Y357-H359 PolarHBondContact O-N 3.47Å; Y357-R360 PolarHBondContact O-N 2.99Å; Y357-R360 VanDerWaalsContact O-N 3.09Å; Y357-V361 HydrophobicContact CD1-CG1 4.33Å; Y357-V361 HydrophobicContact CD1-CG2 4.27Å; Y357-V361 HydrophobicContact CD2-CG1 4.18Å; Y357-V361 HydrophobicContact CE1-CG1 3.94Å; Y357-V361 HydrophobicContact CE1-CG2 4Å; Y357-V361 HydrophobicContact CE2-CG1 3.79Å; Y357-V361 HydrophobicContact CG-CG1 4.44Å; Y357-V361 WeakPolarHBondContact O-CG2 3.21Å; Y357-V361 PolarHBondContact O-N 3Å; Y357-I388 HydrophobicContact CD1-CG2 3.53Å; Y357-I388 HydrophobicContact CD2-CD1 4.05Å; Y357-I388 HydrophobicContact CD2-CG2 3.86Å; Y357-I388 HydrophobicContact CE1-CG2 3.91Å; Y357-I388 HydrophobicContact CE2-CG2 4.19Å; Y357-I388 HydrophobicContact CG-CD1 4.23Å; Y357-I388 HydrophobicContact CG-CG1 4.4Å; Y357-I388 HydrophobicContact CG-CG2 3.5Å; Y357-I392 HydrophobicContact CD1-CG2 4.15Å; Y357-I392 HydrophobicContact CE1-CD1 3.88Å; Y357-I392 HydrophobicContact CE1-CG2 4.42Å; Y357-L396 HydrophobicContact CE2-CD1 4.45Å
358V85.9Confident85.8Confident21 Ų2128.1 Ų28.113%0.12717%0.174CC..Hα-helixtrans-58.6-40.8-179179.30000111.4A238 P354 K355 D356 G362 F391 I392A238-V358 HydrophobicContact CB-CG1 4Å; A238-V358 HydrophobicContact CB-CG2 4.21Å; P354-V358 PolarHBondContact O-N 3.44Å; K355-V358 PolarHBondContact O-N 3.31Å; D356-V358 PolarHBondContact O-N 3.13Å; V358-G362 PolarHBondContact O-N 3.32Å; V358-F391 HydrophobicContact CG2-CD1 4.23Å; V358-F391 HydrophobicContact CG2-CE1 3.91Å; V358-I392 HydrophobicContact CG2-CG2 3.73Å
359H82.1Confident85Confident9 Ų934.6 Ų34.64%0.04220%0.202CC..Hα-helixtrans-68.2-34.8177-67.6138.5000114.5R169 A197 K355 D356 Y357 R363R169-H359 PolarHBondContact NH2-ND1 3.5Å; A197-H359 WeakPolarHBondContact CB-NE2 3.2Å; K355-H359 PolarHBondContact O-N 2.67Å; K355-H359 PolarHBondContact O-ND1 3.28Å; K355-H359 VanDerWaalsContact O-ND1 3.13Å; D356-H359 PolarHBondContact O-N 2.88Å; Y357-H359 VanDerWaalsContact C-N 3.27Å; Y357-H359 PolarHBondContact O-N 3.47Å; H359-R363 PolarHBondContact O-NE 2.86Å
360R89.3Confident84.7Confident3 Ų337.8 Ų37.81%0.01123%0.231CC..Hα-helixtrans-70.4-50.6176.7-72.6-179.2-173.6-168.51.5110.7F279 D331 V345 N347 N349 D356 Y357 G362 R363F279-R360 HydrophobicContact CB-CG 4.27Å; F279-R360 HydrophobicContact CD1-CG 3.88Å; F279-R360 HydrophobicContact CD2-CB 3.61Å; F279-R360 HydrophobicContact CD2-CG 3.56Å; F279-R360 HydrophobicContact CE1-CG 4.03Å; F279-R360 HydrophobicContact CE2-CB 3.58Å; F279-R360 HydrophobicContact CE2-CG 3.72Å; F279-R360 HydrophobicContact CG-CB 4.22Å; F279-R360 HydrophobicContact CG-CG 3.63Å; F279-R360 HydrophobicContact CZ-CB 4.18Å; F279-R360 HydrophobicContact CZ-CG 3.94Å; D331-R360 IonicContact OD1-CZ 2.7Å; D331-R360 IonicContact OD1-NE 2.61Å; D331-R360 PolarHBondContact OD1-NE 3.37Å; D331-R360 IonicContact OD1-NH2 3.18Å; D331-R360 PolarHBondContact OD1-NH2 3.48Å; D331-R360 IonicContact OD2-CZ 3.72Å; D331-R360 IonicContact OD2-NE 2.6Å; D331-R360 IonicContact OD2-NH2 3.15Å; D331-R360 PolarHBondContact OD2-NH2 3.26Å; V345-R360 HydrophobicContact CG1-CB 4.44Å; N347-R360 WeakPolarHBondContact OD1-CD 3.45Å; N347-R360 PolarHBondContact OD1-NH1 2.85Å; N347-R360 VanDerWaalsContact OD1-NH1 3.08Å; N349-R360 PolarHBondContact O-NH1 3.34Å; D356-R360 WeakPolarHBondContact O-CB 3.29Å; D356-R360 WeakPolarHBondContact O-CG 3.47Å; D356-R360 PolarHBondContact O-N 3.24Å; Y357-R360 PolarHBondContact O-N 2.99Å; Y357-R360 VanDerWaalsContact O-N 3.09Å; R360-G362 VanDerWaalsContact C-N 3.3Å; R360-G362 PolarHBondContact O-N 3.37Å; R360-R363 VanDerWaalsContact O-CB 3.28Å; R360-R363 WeakPolarHBondContact O-CB 3.28Å; R360-R363 WeakPolarHBondContact O-CG 3.48Å; R360-R363 PolarHBondContact O-N 2.95Å
361V88.9Confident84.4Confident2 Ų238 Ų381%0.01223%0.233CC..Hα-helixtrans-73-24.8-177.3-53.80000112.5T240 L244 Y357 R363 T364 A373T240-V361 HydrophobicContact CG2-CG2 3.96Å; L244-V361 HydrophobicContact CD2-CB 3.68Å; L244-V361 HydrophobicContact CD2-CG2 3.51Å; Y357-V361 HydrophobicContact CD1-CG1 4.33Å; Y357-V361 HydrophobicContact CD1-CG2 4.27Å; Y357-V361 HydrophobicContact CD2-CG1 4.18Å; Y357-V361 HydrophobicContact CE1-CG1 3.94Å; Y357-V361 HydrophobicContact CE1-CG2 4Å; Y357-V361 HydrophobicContact CE2-CG1 3.79Å; Y357-V361 HydrophobicContact CG-CG1 4.44Å; Y357-V361 WeakPolarHBondContact O-CG2 3.21Å; Y357-V361 PolarHBondContact O-N 3Å; V361-R363 PolarHBondContact O-N 3.38Å; V361-T364 WeakPolarHBondContact O-CG2 3.2Å; V361-T364 PolarHBondContact O-N 2.94Å; V361-T364 VanDerWaalsContact O-N 3.1Å; V361-A373 HydrophobicContact CB-CB 3.97Å; V361-A373 HydrophobicContact CG1-CB 3.53Å
362G82.6Confident84.5Confident21 Ų2139.2 Ų39.222%0.21624%0.24CC..THydrogen-bonded Turntrans-66.24.5169.500000115.3V358 R360 R366V358-G362 PolarHBondContact O-N 3.32Å; R360-G362 VanDerWaalsContact C-N 3.3Å; R360-G362 PolarHBondContact O-N 3.37Å; G362-R366 PolarHBondContact O-NE 3.31Å; G362-R366 PolarHBondContact O-NH2 3.19Å
363R84.6Confident84.7Confident12 Ų1233.3 Ų33.35%0.04521%0.209CC..THydrogen-bonded Turntrans-82.3-23.4169.3-57.4-68.8148-179.90.8112.3M277 F279 L337 V342 V345 H359 R360 V361M277-R363 HydrophobicContact SD-CB 4.03Å; M277-R363 HydrophobicContact SD-CG 3.88Å; F279-R363 HydrophobicContact CE2-CG 4.24Å; F279-R363 HydrophobicContact CZ-CG 4.07Å; L337-R363 PolarHBondContact O-NH1 3.31Å; V342-R363 HydrophobicContact CG2-CB 4.24Å; V342-R363 PolarHBondContact N-O 3.32Å; V345-R363 HydrophobicContact CG2-CB 3.99Å; H359-R363 PolarHBondContact O-NE 2.86Å; R360-R363 VanDerWaalsContact O-CB 3.28Å; R360-R363 WeakPolarHBondContact O-CB 3.28Å; R360-R363 WeakPolarHBondContact O-CG 3.48Å; R360-R363 PolarHBondContact O-N 2.95Å; V361-R363 PolarHBondContact O-N 3.38Å
364T86.3Confident85.2Confident2 Ų229.4 Ų29.41%0.01220%0.195CC..BIsolated β-bridgetrans-105.8178.7172.4-173.70000110.5L244 V342 D343 V345 V361 R366 G371L244-T364 HydrophobicContact CD1-CG2 3.35Å; V342-T364 WeakPolarHBondContact O-CA 3.4Å; V342-T364 WeakPolarHBondContact O-CB 3.47Å; V342-T364 PolarHBondContact O-OG1 3.44Å; D343-T364 PolarHBondContact O-OG1 2.98Å; V345-T364 HydrophobicContact CB-CG2 4.33Å; V345-T364 HydrophobicContact CG2-CG2 3.77Å; V361-T364 WeakPolarHBondContact O-CG2 3.2Å; V361-T364 PolarHBondContact O-N 2.94Å; V361-T364 VanDerWaalsContact O-N 3.1Å; T364-R366 VanDerWaalsContact C-N 3.27Å; T364-R366 PolarHBondContact O-N 3.47Å; T364-G371 WeakPolarHBondContact OG1-CA 3.3Å
365A81.1Confident85.6Confident6 Ų627.9 Ų27.95%0.0519%0.185CC..SBendtrans54.336.8179.400000114.5V241 L244 K369V241-A365 HydrophobicContact CG2-CB 3.57Å; L244-A365 HydrophobicContact CB-CB 3.91Å; L244-A365 HydrophobicContact CD1-CB 4.05Å; A365-K369 CarbonylContact C-O 3.59Å; A365-K369 VanDerWaalsContact CA-O 3.25Å; A365-K369 WeakPolarHBondContact CA-O 3.27Å
366R76.1Confident86.3Confident47 Ų4726.3 Ų26.318%0.17718%0.178CC..  trans-88.2154.3178.4-63179171.9-167-6.9111.2D338 F339 T341 G362 T364 G368 K369D338-R366 IonicContact OD1-NH1 3.89Å; F339-R366 PolarHBondContact O-NH1 3.32Å; T341-R366 HydrophobicContact CG2-CB 3.83Å; T341-R366 HydrophobicContact CG2-CG 4.37Å; T341-R366 WeakPolarHBondContact OG1-CB 3.34Å; G362-R366 PolarHBondContact O-NE 3.31Å; G362-R366 PolarHBondContact O-NH2 3.19Å; T364-R366 VanDerWaalsContact C-N 3.27Å; T364-R366 PolarHBondContact O-N 3.47Å; R366-G368 VanDerWaalsContact C-N 3.27Å; R366-G368 PolarHBondContact O-N 2.99Å; R366-K369 WeakPolarHBondContact O-CB 3.47Å; R366-K369 PolarHBondContact O-N 3.02Å; R366-K369 VanDerWaalsContact O-N 3.13Å
367A68.6Low86.8Confident103 Ų10325.9 Ų25.985%0.85118%0.176SC*.THydrogen-bonded Turntrans52.439.5176.300000114.2K369A367-K369 PolarHBondContact O-N 3.19Å
368G69.7Low86.9Confident64 Ų6426.6 Ų26.666%0.6618%0.179SC*.THydrogen-bonded Turntrans78.3-4.917800000115.3R366R366-G368 VanDerWaalsContact C-N 3.27Å; R366-G368 PolarHBondContact O-N 2.99Å
369K80.6Confident87.2Confident137 Ų13731.1 Ų31.160%0.59620%0.202SC*.  trans-68.2149.6174.8-64.4-173.5175.9-173.80110.9T243 A365 R366 A367T243-K369 PolarHBondContact OG1-O 3.49Å; T243-K369 VanDerWaalsContact OG1-O 3.09Å; A365-K369 CarbonylContact C-O 3.59Å; A365-K369 VanDerWaalsContact CA-O 3.25Å; A365-K369 WeakPolarHBondContact CA-O 3.27Å; R366-K369 WeakPolarHBondContact O-CB 3.47Å; R366-K369 PolarHBondContact O-N 3.02Å; R366-K369 VanDerWaalsContact O-N 3.13Å; A367-K369 PolarHBondContact O-N 3.19Å
370A87.2Confident87.8Confident81 Ų8138.4 Ų38.467%0.66923%0.234SC*.  trans-67151.1166.200000110T243T243-A370 WeakPolarHBondContact O-CA 3.12Å
371G90.2Very high88Confident6 Ų638.4 Ų38.46%0.06223%0.234CC..EExtended strand (participates in β ladder)trans-147155.3176.700000111.8T243 S245 T364T243-G371 PolarHBondContact O-N 2.84Å; S245-G371 PolarHBondContact N-O 3.43Å; T364-G371 WeakPolarHBondContact OG1-CA 3.3Å
372L94Very high88.3Confident28 Ų2840.6 Ų40.615%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-116130.7179.6-176.560.9000110.7S245 Y247 F267 D343 I344 V345 L374S245-L372 CarbonylContact O-C 3.5Å; Y247-L372 HydrophobicContact CD2-CD1 3.44Å; Y247-L372 VanDerWaalsContact CD2-CD1 3.44Å; Y247-L372 HydrophobicContact CE2-CD1 3.49Å; Y247-L372 VanDerWaalsContact CE2-CD1 3.49Å; F267-L372 HydrophobicContact CE2-CD2 4.19Å; D343-L372 PolarHBondContact O-N 3.4Å; I344-L372 CarbonylContact C-O 3.59Å; I344-L372 VanDerWaalsContact CA-O 3.27Å; I344-L372 WeakPolarHBondContact CA-O 3.46Å; I344-L372 HydrophobicContact CB-CB 4.31Å; I344-L372 HydrophobicContact CD1-CD2 3.68Å; I344-L372 HydrophobicContact CD1-CG 4.15Å; I344-L372 HydrophobicContact CG1-CB 4.07Å; I344-L372 HydrophobicContact CG1-CD2 4.06Å; I344-L372 HydrophobicContact CG1-CG 4.02Å; V345-L372 PolarHBondContact N-O 3.25Å; L372-L374 HydrophobicContact CD1-CD2 4Å; L372-L374 HydrophobicContact CD2-CD1 4.42Å; L372-L374 HydrophobicContact CD2-CD2 4.35Å; L372-L374 HydrophobicContact CD2-CG 4.27Å; L372-L374 HydrophobicContact CG-CD2 4.16Å; L372-L374 HydrophobicContact CG-CG 4.15Å
373A95.4Very high88.9Confident0 Ų048.4 Ų48.40%028%0.275CS..EExtended strand (participates in β ladder)trans-119.9117.6170.500000109.8L244 S245 Q246 Y247 V345 V361L244-A373 HydrophobicContact CD1-CB 4.06Å; S245-A373 PolarHBondContact O-N 3.19Å; Q246-A373 WeakPolarHBondContact CA-O 3.45Å; Q246-A373 HydrophobicContact CG-CB 4.25Å; Y247-A373 PolarHBondContact N-O 3.2Å; V345-A373 CarbonylContact O-C 3.52Å; V345-A373 WeakPolarHBondContact O-CA 3.39Å; V361-A373 HydrophobicContact CB-CB 3.97Å; V361-A373 HydrophobicContact CG1-CB 3.53Å
374L97Very high89.4Confident2 Ų251.6 Ų51.61%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-109.2133.9174.8-61.2-175.1000110Y247 I249 T263 I344 V345 I346 N347 L372 F399Y247-L374 HydrophobicContact CD2-CD2 4.02Å; Y247-L374 HydrophobicContact CG-CD2 4.26Å; Y247-L374 CarbonylContact O-C 3.59Å; Y247-L374 WeakPolarHBondContact O-CA 3.39Å; I249-L374 HydrophobicContact CD1-CD1 4.42Å; T263-L374 HydrophobicContact CG2-CD1 3.46Å; T263-L374 VanDerWaalsContact CG2-CD1 3.46Å; I344-L374 HydrophobicContact CD1-CD1 3.72Å; I344-L374 HydrophobicContact CD1-CG 4.04Å; V345-L374 PolarHBondContact O-N 3.39Å; I346-L374 CarbonylContact C-O 3.54Å; I346-L374 WeakPolarHBondContact CA-O 3.45Å; N347-L374 PolarHBondContact N-O 2.95Å; L372-L374 HydrophobicContact CD1-CD2 4Å; L372-L374 HydrophobicContact CD2-CD1 4.42Å; L372-L374 HydrophobicContact CD2-CD2 4.35Å; L372-L374 HydrophobicContact CD2-CG 4.27Å; L372-L374 HydrophobicContact CG-CD2 4.16Å; L372-L374 HydrophobicContact CG-CG 4.15Å; L374-F399 HydrophobicContact CD1-CD1 4.43Å; L374-F399 HydrophobicContact CD1-CE1 4.42Å; L374-F399 HydrophobicContact CD2-CB 4.07Å; L374-F399 HydrophobicContact CD2-CD1 4.34Å; L374-F399 HydrophobicContact CD2-CD2 3.61Å; L374-F399 HydrophobicContact CD2-CE2 4.09Å; L374-F399 HydrophobicContact CD2-CG 3.75Å
375T97.7Very high89.8Confident0 Ų051.9 Ų51.90%029%0.289CS..EExtended strand (participates in β ladder)trans-119.2114176.6-58.30000110.9Y247 Y248 I249 N347 V350 C377 L385Y247-T375 PolarHBondContact O-N 3.38Å; Y248-T375 CarbonylContact C-O 3.47Å; Y248-T375 WeakPolarHBondContact CA-O 3.42Å; Y248-T375 WeakPolarHBondContact CB-O 3.37Å; I249-T375 PolarHBondContact N-O 3.29Å; N347-T375 HydrophobicContact CB-CG2 3.95Å; N347-T375 PolarHBondContact ND2-OG1 3.04Å; V350-T375 HydrophobicContact CB-CG2 4.45Å; V350-T375 HydrophobicContact CG2-CG2 3.81Å; T375-C377 PolarHBondContact O-N 3.05Å; T375-L385 HydrophobicContact CG2-CD1 4.28Å
376L97.4Very high90.4Very high0 Ų057.7 Ų57.70%031%0.313CS..EExtended strand (participates in β ladder)trans-75.1120.2172.4-53.9-173.8000108.5I249 M251 K256 L260 I346 N347I249-L376 HydrophobicContact CB-CD2 3.98Å; I249-L376 HydrophobicContact CD1-CD2 3.63Å; I249-L376 HydrophobicContact CG1-CD2 4.29Å; M251-L376 HydrophobicContact CE-CB 3.79Å; M251-L376 HydrophobicContact CE-CD2 3.93Å; M251-L376 HydrophobicContact CE-CG 4.4Å; M251-L376 HydrophobicContact SD-CB 4.08Å; M251-L376 HydrophobicContact SD-CD2 4.29Å; K256-L376 HydrophobicContact CG-CB 4.48Å; K256-L376 HydrophobicContact CG-CD1 4.3Å; L260-L376 HydrophobicContact CB-CD1 3.68Å; L260-L376 HydrophobicContact CD1-CD1 3.97Å; L260-L376 HydrophobicContact CG-CD1 4.38Å; I346-L376 HydrophobicContact CG2-CG 4.31Å; N347-L376 PolarHBondContact O-N 3.25Å
377C96.8Very high91.3Very high0 Ų057.7 Ų57.70%032%0.323CS..EExtended strand (participates in β ladder)trans-123.4129.8-179-1710000109.6Y248 I249 L250 M251 V350 T375 L385Y248-C377 HydrophobicContact CD2-CB 4.47Å; I249-C377 PolarHBondContact O-N 3.08Å; L250-C377 WeakPolarHBondContact CA-O 3.36Å; L250-C377 HydrophobicContact CD1-CB 4.49Å; M251-C377 WeakPolarHBondContact CE-O 3.49Å; M251-C377 PolarHBondContact N-O 3.46Å; V350-C377 HydrophobicContact CG2-CB 3.88Å; T375-C377 PolarHBondContact O-N 3.05Å; C377-L385 HydrophobicContact CB-CD2 4.31Å
378D93.9Very high92.4Very high15 Ų1552.8 Ų52.88%0.0828%0.283CS..  trans-96.917616467.942.7000111.5M251 P253 K256 F380 E381 V382M251-D378 WeakPolarHBondContact O-CA 3.49Å; P253-D378 HydrophobicContact CB-CB 4.34Å; P253-D378 HydrophobicContact CG-CB 3.97Å; K256-D378 IonicContact NZ-OD2 3.72Å; K256-D378 PolarHBondContact NZ-OD2 3.03Å; D378-F380 PolarHBondContact O-N 3.42Å; D378-F380 VanDerWaalsContact OD1-CA 3.29Å; D378-F380 WeakPolarHBondContact OD1-CA 3.35Å; D378-F380 VanDerWaalsContact OD1-CB 3.28Å; D378-F380 WeakPolarHBondContact OD1-CB 3.32Å; D378-F380 PolarHBondContact OD1-N 3.47Å; D378-E381 PolarHBondContact O-N 3.17Å; D378-E381 WeakPolarHBondContact OD1-CG 3.19Å; D378-E381 PolarHBondContact OD1-N 2.88Å; D378-V382 PolarHBondContact O-N 3.26Å
379L92.3Very high93.5Very high116 Ų11651.2 Ų51.261%0.60726%0.258SS*.THydrogen-bonded Turntrans-61.6-27.6-179.8-63.5175.1000113.5L250 E381L250-L379 HydrophobicContact CD1-CD2 4.43Å; L379-E381 VanDerWaalsContact C-N 3.31Å
380F93.7Very high94Very high161 Ų16150 Ų5071%0.70626%0.262SS*.THydrogen-bonded Turntrans-80.4-15.4177-53.3-68.3000112.5P253 D378P253-F380 HydrophobicContact CG-CD2 3.86Å; P253-F380 HydrophobicContact CG-CE2 3.62Å; D378-F380 PolarHBondContact O-N 3.42Å; D378-F380 VanDerWaalsContact OD1-CA 3.29Å; D378-F380 WeakPolarHBondContact OD1-CA 3.35Å; D378-F380 VanDerWaalsContact OD1-CB 3.28Å; D378-F380 WeakPolarHBondContact OD1-CB 3.32Å; D378-F380 PolarHBondContact OD1-N 3.47Å
381E94.7Very high94Very high4 Ų448 Ų482%0.01924%0.238CC..THydrogen-bonded Turntrans-97.6-8.7-177-68.6-170.3128.400114.2K256 V350 D378 L379 K383 R384 L385K256-E381 IonicContact NZ-OE2 3.65Å; K256-E381 PolarHBondContact NZ-OE2 3.15Å; V350-E381 HydrophobicContact CB-CB 4.04Å; V350-E381 HydrophobicContact CB-CG 4.49Å; V350-E381 HydrophobicContact CG2-CB 3.63Å; V350-E381 HydrophobicContact CG2-CG 4.37Å; D378-E381 PolarHBondContact O-N 3.17Å; D378-E381 WeakPolarHBondContact OD1-CG 3.19Å; D378-E381 PolarHBondContact OD1-N 2.88Å; L379-E381 VanDerWaalsContact C-N 3.31Å; E381-K383 VanDerWaalsContact C-N 3.28Å; E381-K383 PolarHBondContact O-N 3.49Å; E381-R384 VanDerWaalsContact CG-NH2 3.33Å; E381-R384 WeakPolarHBondContact O-CA 3.46Å; E381-R384 WeakPolarHBondContact O-CB 3.49Å; E381-R384 PolarHBondContact O-N 2.72Å; E381-R384 IonicContact OE1-CZ 2.63Å; E381-R384 IonicContact OE1-NH1 3.59Å; E381-R384 PolarHBondContact OE1-NH1 2.99Å; E381-R384 IonicContact OE1-NH2 3.55Å; E381-R384 PolarHBondContact OE1-NH2 3.34Å; E381-L385 PolarHBondContact O-N 3.39Å
382V93.8Very high93.9Very high47 Ų4748.3 Ų48.329%0.28524%0.239SC..Hα-helixtrans-55.8-39.1-176.5177.70000112.8L250 D378 R384 L385 K386L250-V382 HydrophobicContact CD1-CG2 4.27Å; D378-V382 PolarHBondContact O-N 3.26Å; V382-R384 VanDerWaalsContact C-N 3.32Å; V382-R384 PolarHBondContact O-N 3.36Å; V382-L385 PolarHBondContact O-N 3.14Å; V382-K386 WeakPolarHBondContact O-CG 2.86Å; V382-K386 PolarHBondContact O-N 2.92Å
383K94.9Very high93.6Very high186 Ų18653.5 Ų53.581%0.80927%0.266SS*.Hα-helixtrans-62.6-39.2176.3-69.1-173.9-179.4-179.20112.1E381 A387E381-K383 VanDerWaalsContact C-N 3.28Å; E381-K383 PolarHBondContact O-N 3.49Å; K383-A387 PolarHBondContact O-N 3.18Å; K383-A387 VanDerWaalsContact O-N 3.1Å
384R95.2Very high93.2Very high79 Ų7957.1 Ų57.130%0.29828%0.282SS..Hα-helixtrans-68.9-38.8176.1-71.1-174.4-101.7146.8-7.2111.1V350 E381 V382 A387 I388V350-R384 HydrophobicContact CB-CB 4.25Å; V350-R384 HydrophobicContact CG1-CB 3.6Å; V350-R384 PolarHBondContact O-NH1 2.89Å; E381-R384 VanDerWaalsContact CG-NH2 3.33Å; E381-R384 WeakPolarHBondContact O-CA 3.46Å; E381-R384 WeakPolarHBondContact O-CB 3.49Å; E381-R384 PolarHBondContact O-N 2.72Å; E381-R384 IonicContact OE1-CZ 2.63Å; E381-R384 IonicContact OE1-NH1 3.59Å; E381-R384 PolarHBondContact OE1-NH1 2.99Å; E381-R384 IonicContact OE1-NH2 3.55Å; E381-R384 PolarHBondContact OE1-NH2 3.34Å; V382-R384 VanDerWaalsContact C-N 3.32Å; V382-R384 PolarHBondContact O-N 3.36Å; R384-A387 PolarHBondContact O-N 3.46Å; R384-I388 PolarHBondContact O-N 2.8Å
385L95.6Very high92.9Very high8 Ų864.8 Ų64.84%0.04232%0.318CS..Hα-helixtrans-61.7-46.3176.3-174.568.2000110.6Y248 V350 T375 C377 E381 V382 A387 I388 Q389 L396Y248-L385 HydrophobicContact CD1-CD2 4.18Å; Y248-L385 HydrophobicContact CD2-CD2 3.72Å; Y248-L385 HydrophobicContact CE2-CD2 4.11Å; Y248-L385 HydrophobicContact CG-CD2 3.75Å; V350-L385 HydrophobicContact CG1-CB 4.31Å; T375-L385 HydrophobicContact CG2-CD1 4.28Å; C377-L385 HydrophobicContact CB-CD2 4.31Å; E381-L385 PolarHBondContact O-N 3.39Å; V382-L385 PolarHBondContact O-N 3.14Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.26Å; L385-I388 WeakPolarHBondContact O-CB 3.39Å; L385-I388 PolarHBondContact O-N 3.44Å; L385-I388 VanDerWaalsContact O-N 3.12Å; L385-Q389 WeakPolarHBondContact O-CG 3.36Å; L385-Q389 PolarHBondContact O-N 2.88Å; L385-L396 HydrophobicContact CD1-CD1 3.89Å
386K94.5Very high92.7Very high128 Ų12865 Ų6556%0.55732%0.319SS*.Hα-helixtrans-58.7-43.7174.9-72.5-175.2178.4-171.20112.3V382 I388 Q389 T390V382-K386 WeakPolarHBondContact O-CG 2.86Å; V382-K386 PolarHBondContact O-N 2.92Å; K386-I388 VanDerWaalsContact C-N 3.27Å; K386-I388 PolarHBondContact O-N 3.02Å; K386-Q389 PolarHBondContact O-N 2.71Å; K386-T390 PolarHBondContact O-N 2.68Å; K386-T390 PolarHBondContact O-OG1 2.79Å; K386-T390 VanDerWaalsContact O-OG1 3.09Å
387A93.8Very high92.5Very high47 Ų4772.1 Ų72.139%0.38835%0.35SS..Hα-helixtrans-60.9-36176.300000112.7P354 K383 R384 L385 F391P354-A387 HydrophobicContact CG-CB 4.22Å; K383-A387 PolarHBondContact O-N 3.18Å; K383-A387 VanDerWaalsContact O-N 3.1Å; R384-A387 PolarHBondContact O-N 3.46Å; L385-A387 VanDerWaalsContact C-N 3.34Å; L385-A387 PolarHBondContact O-N 3.26Å; A387-F391 WeakPolarHBondContact O-CB 3.41Å; A387-F391 PolarHBondContact O-N 3.25Å
388I92.4Very high92.4Very high0 Ų076.6 Ų76.60%038%0.377CS..Hα-helixtrans-64.3-51.6172.2-70.6162.4000110.6V350 P351 P354 Y357 R384 L385 K386 T390 F391 I392V350-I388 HydrophobicContact CG1-CD1 3.48Å; V350-I388 VanDerWaalsContact CG1-CD1 3.48Å; P351-I388 HydrophobicContact CB-CD1 4.28Å; P351-I388 HydrophobicContact CG-CD1 4.18Å; P354-I388 HydrophobicContact CB-CG1 4.25Å; P354-I388 HydrophobicContact CG-CG1 4.44Å; Y357-I388 HydrophobicContact CD1-CG2 3.53Å; Y357-I388 HydrophobicContact CD2-CD1 4.05Å; Y357-I388 HydrophobicContact CD2-CG2 3.86Å; Y357-I388 HydrophobicContact CE1-CG2 3.91Å; Y357-I388 HydrophobicContact CE2-CG2 4.19Å; Y357-I388 HydrophobicContact CG-CD1 4.23Å; Y357-I388 HydrophobicContact CG-CG1 4.4Å; Y357-I388 HydrophobicContact CG-CG2 3.5Å; R384-I388 PolarHBondContact O-N 2.8Å; L385-I388 WeakPolarHBondContact O-CB 3.39Å; L385-I388 PolarHBondContact O-N 3.44Å; L385-I388 VanDerWaalsContact O-N 3.12Å; K386-I388 VanDerWaalsContact C-N 3.27Å; K386-I388 PolarHBondContact O-N 3.02Å; I388-T390 VanDerWaalsContact C-N 3.3Å; I388-T390 PolarHBondContact O-N 3.33Å; I388-F391 WeakPolarHBondContact O-CB 3.48Å; I388-F391 PolarHBondContact O-N 3.45Å; I388-I392 HydrophobicContact CG2-CD1 4.31Å; I388-I392 WeakPolarHBondContact O-CG1 3.4Å; I388-I392 PolarHBondContact O-N 3.22Å
389Q92.6Very high92.4Very high31 Ų3179.1 Ų79.115%0.14539%0.388CS..Hα-helixtrans-56.2-43.7-179.4-67.6-176137.500112.3L385 K386 N393 K394 L396L385-Q389 WeakPolarHBondContact O-CG 3.36Å; L385-Q389 PolarHBondContact O-N 2.88Å; K386-Q389 PolarHBondContact O-N 2.71Å; Q389-N393 WeakPolarHBondContact O-CA 3.41Å; Q389-N393 PolarHBondContact O-N 3.17Å; Q389-K394 VanDerWaalsContact CA-O 3.27Å; Q389-K394 WeakPolarHBondContact CA-O 3.49Å; Q389-K394 VanDerWaalsContact CB-O 3.27Å; Q389-K394 WeakPolarHBondContact CB-O 3.41Å; Q389-K394 WeakPolarHBondContact CG-O 3.48Å; Q389-K394 PolarHBondContact O-N 2.99Å; Q389-L396 HydrophobicContact CG-CG 4.06Å
390T91.5Very high92.4Very high111 Ų11180.9 Ų80.968%0.68140%0.398SS*.Hα-helixtrans-62.7-43.4174.4-55.90000111.5K386 I388 N393K386-T390 PolarHBondContact O-N 2.68Å; K386-T390 PolarHBondContact O-OG1 2.79Å; K386-T390 VanDerWaalsContact O-OG1 3.09Å; I388-T390 VanDerWaalsContact C-N 3.3Å; I388-T390 PolarHBondContact O-N 3.33Å; T390-N393 PolarHBondContact O-N 3.11Å
391F87.4Confident92.2Very high39 Ų3973.9 Ų73.917%0.17137%0.369CS..Hα-helixtrans-67.2-38.9-179.1-179.2-100.7000113.3A236 G237 A238 P354 K355 V358 A387 I388 N393A236-F391 WeakPolarHBondContact O-CE2 3.06Å; G237-F391 WeakPolarHBondContact CA-O 3.14Å; A238-F391 HydrophobicContact CB-CE1 4.05Å; A238-F391 HydrophobicContact CB-CZ 4.28Å; P354-F391 HydrophobicContact CB-CB 3.4Å; P354-F391 HydrophobicContact CB-CD1 3.62Å; P354-F391 HydrophobicContact CB-CD2 4.11Å; P354-F391 HydrophobicContact CB-CE1 4.45Å; P354-F391 HydrophobicContact CB-CG 3.42Å; P354-F391 VanDerWaalsContact CB-CG 3.42Å; P354-F391 HydrophobicContact CG-CB 4.14Å; P354-F391 HydrophobicContact CG-CG 4.45Å; K355-F391 HydrophobicContact CG-CE1 4.08Å; K355-F391 HydrophobicContact CG-CE2 4.21Å; K355-F391 HydrophobicContact CG-CZ 3.63Å; V358-F391 HydrophobicContact CG2-CD1 4.23Å; V358-F391 HydrophobicContact CG2-CE1 3.91Å; A387-F391 WeakPolarHBondContact O-CB 3.41Å; A387-F391 PolarHBondContact O-N 3.25Å; I388-F391 WeakPolarHBondContact O-CB 3.48Å; I388-F391 PolarHBondContact O-N 3.45Å; F391-N393 VanDerWaalsContact C-N 3.29Å
392I87.1Confident92.1Very high13 Ų1377.2 Ų77.27%0.06739%0.386CS..THydrogen-bonded Turntrans-88.40.417868.5174.7000112.8T240 Y357 V358 I388 K394 L396T240-I392 HydrophobicContact CG2-CG2 4.45Å; Y357-I392 HydrophobicContact CD1-CG2 4.15Å; Y357-I392 HydrophobicContact CE1-CD1 3.88Å; Y357-I392 HydrophobicContact CE1-CG2 4.42Å; V358-I392 HydrophobicContact CG2-CG2 3.73Å; I388-I392 HydrophobicContact CG2-CD1 4.31Å; I388-I392 WeakPolarHBondContact O-CG1 3.4Å; I388-I392 PolarHBondContact O-N 3.22Å; I392-K394 VanDerWaalsContact C-N 3.26Å; I392-K394 HydrophobicContact CD1-CB 3.99Å; I392-K394 HydrophobicContact CG1-CB 3.9Å; I392-K394 PolarHBondContact O-N 3.09Å; I392-L396 HydrophobicContact CD1-CD2 4.05Å
393N87.1Confident92.1Very high136 Ų13681.3 Ų81.373%0.72740%0.402SS*.THydrogen-bonded Turntrans48.943.8-174.2-164.838.8000113.4Q389 T390 F391Q389-N393 WeakPolarHBondContact O-CA 3.41Å; Q389-N393 PolarHBondContact O-N 3.17Å; T390-N393 PolarHBondContact O-N 3.11Å; F391-N393 VanDerWaalsContact C-N 3.29Å
394K87.6Confident92Very high77 Ų7780.5 Ų80.534%0.33540%0.399SS..  trans-148.8128.9-177.5-175.2176.5-179.1174.60110.7Q389 I392Q389-K394 VanDerWaalsContact CA-O 3.27Å; Q389-K394 WeakPolarHBondContact CA-O 3.49Å; Q389-K394 VanDerWaalsContact CB-O 3.27Å; Q389-K394 WeakPolarHBondContact CB-O 3.41Å; Q389-K394 WeakPolarHBondContact CG-O 3.48Å; Q389-K394 PolarHBondContact O-N 2.99Å; I392-K394 VanDerWaalsContact C-N 3.26Å; I392-K394 HydrophobicContact CD1-CB 3.99Å; I392-K394 HydrophobicContact CG1-CB 3.9Å; I392-K394 PolarHBondContact O-N 3.09Å
395E91.2Very high92Very high162 Ų16281.9 Ų81.976%0.75741%0.407SS*.PPolyproline II helixtrans-78.7126.8169-168169.7-164.700109.7
396L93.2Very high92Very high6 Ų681.6 Ų81.63%0.03141%0.406CS..PPolyproline II helixtrans-81.2135.6178.8-61.9-173.9000109Q246 Y248 Y357 L385 Q389 I392Q246-L396 HydrophobicContact CB-CD2 3.39Å; Q246-L396 HydrophobicContact CG-CD2 4.43Å; Y248-L396 HydrophobicContact CD1-CB 3.91Å; Y248-L396 VanDerWaalsContact CE1-O 3.28Å; Y248-L396 WeakPolarHBondContact CE1-O 3.21Å; Y357-L396 HydrophobicContact CE2-CD1 4.45Å; L385-L396 HydrophobicContact CD1-CD1 3.89Å; Q389-L396 HydrophobicContact CG-CG 4.06Å; I392-L396 HydrophobicContact CD1-CD2 4.05Å
397K93.9Very high92Very high148 Ų14878.3 Ų78.364%0.64340%0.402SS*.EExtended strand (participates in β ladder)trans-78.1150.4176-65.7-178.2-179.4-178.30110.2Y247 Y248Y247-K397 CarbonylContact C-O 3.55Å; Y247-K397 WeakPolarHBondContact CA-O 3.34Å; Y247-K397 VanDerWaalsContact CB-O 3.32Å; Y247-K397 WeakPolarHBondContact CB-O 3Å; Y247-K397 HydrophobicContact CD1-CB 3.65Å; Y247-K397 HydrophobicContact CE1-CB 3.86Å; Y247-K397 HydrophobicContact CE1-CD 4.41Å; Y248-K397 WeakPolarHBondContact CD1-O 3.33Å; Y248-K397 PolarHBondContact N-O 2.97Å
398T94.8Very high92.1Very high94 Ų9483.4 Ų83.458%0.57742%0.418SS*.EExtended strand (participates in β ladder)trans-67.6135.5167.847.90000109.8Y248Y248-T398 HydrophobicContact CE1-CG2 3.7Å; Y248-T398 HydrophobicContact CE2-CG2 3.97Å; Y248-T398 CarbonylContact O-C 3.28Å; Y248-T398 WeakPolarHBondContact O-CA 3.3Å; Y248-T398 WeakPolarHBondContact OH-CG2 3.48Å
399F94Very high92.3Very high68 Ų6885.2 Ų85.230%0.29843%0.427SS..PPolyproline II helixtrans-90.3126.5169.1-164.5-99.3000109.1Y247 Y248 I249 L374 V401Y247-F399 HydrophobicContact CD1-CB 4.43Å; Y247-F399 HydrophobicContact CD1-CD2 4.16Å; Y247-F399 AromaticContact CD2-CD2 3.91Å; Y247-F399 HydrophobicContact CD2-CD2 3.91Å; Y247-F399 HydrophobicContact CE2-CD2 4.33Å; Y247-F399 HydrophobicContact CG-CB 4.19Å; Y247-F399 AromaticContact CG-CD2 3.82Å; Y247-F399 HydrophobicContact CG-CD2 3.82Å; Y248-F399 PolarHBondContact O-N 3Å; I249-F399 HydrophobicContact CD1-CD1 4.26Å; I249-F399 HydrophobicContact CG1-CB 3.82Å; I249-F399 HydrophobicContact CG1-CD1 4.36Å; L374-F399 HydrophobicContact CD1-CD1 4.43Å; L374-F399 HydrophobicContact CD1-CE1 4.42Å; L374-F399 HydrophobicContact CD2-CB 4.07Å; L374-F399 HydrophobicContact CD2-CD1 4.34Å; L374-F399 HydrophobicContact CD2-CD2 3.61Å; L374-F399 HydrophobicContact CD2-CE2 4.09Å; L374-F399 HydrophobicContact CD2-CG 3.75Å; F399-V401 HydrophobicContact CD1-CG2 3.78Å; F399-V401 HydrophobicContact CE1-CG2 4.39Å
400D90.7Very high92.5Very high153 Ų15385.5 Ų85.582%0.81843%0.429SS*.PPolyproline II helixtrans-76.5124.7177.7-170.221.2000109.9
401V91.3Very high92.7Very high15 Ų1583.4 Ų83.49%0.09142%0.423CS..  trans-125.2135.8-180-179.50000107.7I249 F259 F399 E403 V406I249-V401 HydrophobicContact CD1-CG2 3.64Å; I249-V401 HydrophobicContact CG1-CG2 3.87Å; I249-V401 HydrophobicContact CG2-CG2 4.03Å; F259-V401 HydrophobicContact CD1-CB 4.35Å; F259-V401 HydrophobicContact CD1-CG1 3.99Å; F259-V401 HydrophobicContact CE1-CB 4.13Å; F259-V401 HydrophobicContact CE1-CG1 4.01Å; F399-V401 HydrophobicContact CD1-CG2 3.78Å; F399-V401 HydrophobicContact CE1-CG2 4.39Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.41Å; V401-V406 HydrophobicContact CG1-CG2 3.69Å
402N92.5Very high93.1Very high73 Ų7386.9 Ų86.939%0.3944%0.44SS..  trans-69.789.7177.7-171-34.4000110.7K404 K405 V406N402-K404 PolarHBondContact O-N 3.48Å; N402-K404 VanDerWaalsContact O-N 3.11Å; N402-K404 WeakPolarHBondContact OD1-CB 3.45Å; N402-K404 PolarHBondContact OD1-N 3.02Å; N402-K405 HydrophobicContact CB-CB 4.24Å; N402-K405 HydrophobicContact CB-CD 4.2Å; N402-K405 HydrophobicContact CB-CG 4.19Å; N402-K405 WeakPolarHBondContact O-CB 3.37Å; N402-K405 PolarHBondContact O-N 3.09Å; N402-K405 PolarHBondContact OD1-N 3.37Å; N402-V406 PolarHBondContact O-N 3.23Å; N402-V406 VanDerWaalsContact O-N 3.09Å
403E92.3Very high93.6Very high133 Ų13386.4 Ų86.462%0.62144%0.438SS*.Hα-helixtrans-58.6-27.8-177.1-64.1-166.8169.100113F259 V401 V406 A407F259-E403 HydrophobicContact CZ-CG 4.29Å; V401-E403 VanDerWaalsContact C-N 3.33Å; V401-E403 PolarHBondContact O-N 3.41Å; E403-V406 PolarHBondContact O-N 2.94Å; E403-A407 WeakPolarHBondContact O-CB 3.49Å; E403-A407 PolarHBondContact O-N 3.43Å
404K94.4Very high94Very high170 Ų17082 Ų8274%0.73942%0.417SS*.Hα-helixtrans-66.2-41.2175.5-63.2-178.3179.2178.20111.4N402 A407 Q408N402-K404 PolarHBondContact O-N 3.48Å; N402-K404 VanDerWaalsContact O-N 3.11Å; N402-K404 WeakPolarHBondContact OD1-CB 3.45Å; N402-K404 PolarHBondContact OD1-N 3.02Å; K404-A407 PolarHBondContact O-N 2.93Å; K404-Q408 WeakPolarHBondContact O-CG 3.47Å; K404-Q408 PolarHBondContact O-N 3.31Å
405K94.5Very high94.4Very high107 Ų10783.1 Ų83.147%0.46543%0.426SS..Hα-helixtrans-67.4-40.5174.1-71.1-173.8178.6-175.80111.3N402 A407 Q408N402-K405 HydrophobicContact CB-CB 4.24Å; N402-K405 HydrophobicContact CB-CD 4.2Å; N402-K405 HydrophobicContact CB-CG 4.19Å; N402-K405 WeakPolarHBondContact O-CB 3.37Å; N402-K405 PolarHBondContact O-N 3.09Å; N402-K405 PolarHBondContact OD1-N 3.37Å; K405-A407 VanDerWaalsContact C-N 3.31Å; K405-A407 PolarHBondContact O-N 3.28Å; K405-Q408 WeakPolarHBondContact O-CB 3.44Å; K405-Q408 PolarHBondContact O-N 3.21Å
406V95.4Very high94.7Very high3 Ų375.8 Ų75.82%0.01839%0.393CS..Hα-helixtrans-59.2-45.7174-179.60000110.3A258 F259 H262 V401 N402 E403 Q408 I409 I410A258-V406 HydrophobicContact CB-CG1 3.9Å; F259-V406 HydrophobicContact CD1-CG1 4.46Å; F259-V406 HydrophobicContact CD1-CG2 4.1Å; F259-V406 HydrophobicContact CD2-CG1 3.83Å; F259-V406 HydrophobicContact CE1-CG2 4.12Å; F259-V406 HydrophobicContact CE2-CG1 3.9Å; F259-V406 HydrophobicContact CG-CG1 4.13Å; F259-V406 HydrophobicContact CG-CG2 4.49Å; F259-V406 HydrophobicContact CZ-CG1 4.28Å; H262-V406 HydrophobicContact CB-CG2 3.93Å; H262-V406 VanDerWaalsContact CD2-CG2 3.4Å; H262-V406 WeakPolarHBondContact CD2-CG2 3.46Å; V401-V406 HydrophobicContact CG1-CG2 3.69Å; N402-V406 PolarHBondContact O-N 3.23Å; N402-V406 VanDerWaalsContact O-N 3.09Å; E403-V406 PolarHBondContact O-N 2.94Å; V406-Q408 PolarHBondContact O-N 3.03Å; V406-I409 WeakPolarHBondContact O-CG1 3.33Å; V406-I409 PolarHBondContact O-N 3.48Å; V406-I409 VanDerWaalsContact O-N 3.08Å; V406-I410 HydrophobicContact CG1-CG1 4.48Å; V406-I410 WeakPolarHBondContact O-CG1 3.33Å; V406-I410 PolarHBondContact O-N 2.95Å
407A95.2Very high94.8Very high58 Ų5878.6 Ų78.648%0.47940%0.403SS..Hα-helixtrans-58.2-33.1-179.300000113.5E403 K404 K405 I409 I410E403-A407 WeakPolarHBondContact O-CB 3.49Å; E403-A407 PolarHBondContact O-N 3.43Å; K404-A407 PolarHBondContact O-N 2.93Å; K405-A407 VanDerWaalsContact C-N 3.31Å; K405-A407 PolarHBondContact O-N 3.28Å; A407-I409 VanDerWaalsContact C-N 3.29Å; A407-I409 PolarHBondContact O-N 2.91Å; A407-I410 HydrophobicContact CB-CD1 4.46Å
408Q96.1Very high94.9Very high155 Ų15580 Ų8072%0.72441%0.405SS*.Hα-helixtrans-65.1-30.8178.3-70.3168.4-10.300112.9K404 K405 V406K404-Q408 WeakPolarHBondContact O-CG 3.47Å; K404-Q408 PolarHBondContact O-N 3.31Å; K405-Q408 WeakPolarHBondContact O-CB 3.44Å; K405-Q408 PolarHBondContact O-N 3.21Å; V406-Q408 PolarHBondContact O-N 3.03Å
409I96Very high94.9Very high38 Ų3878.3 Ų78.320%0.19539%0.392CS..Hα-helixtrans-100.4-6.3-176.567.2165.7000113.6A258 V261 H262 V406 A407 A411 E412 V413A258-I409 HydrophobicContact CB-CG1 4.42Å; V261-I409 HydrophobicContact CB-CD1 4.25Å; V261-I409 HydrophobicContact CG1-CD1 3.99Å; H262-I409 HydrophobicContact CB-CD1 3.87Å; V406-I409 WeakPolarHBondContact O-CG1 3.33Å; V406-I409 PolarHBondContact O-N 3.48Å; V406-I409 VanDerWaalsContact O-N 3.08Å; A407-I409 VanDerWaalsContact C-N 3.29Å; A407-I409 PolarHBondContact O-N 2.91Å; I409-A411 VanDerWaalsContact C-N 3.28Å; I409-A411 PolarHBondContact O-N 3.33Å; I409-E412 PolarHBondContact O-N 3.41Å; I409-V413 HydrophobicContact CB-CG2 4.27Å; I409-V413 HydrophobicContact CD1-CG2 4.04Å; I409-V413 HydrophobicContact CG1-CG2 4.21Å; I409-V413 WeakPolarHBondContact O-CB 3.49Å; I409-V413 VanDerWaalsContact O-CG2 3.29Å; I409-V413 WeakPolarHBondContact O-CG2 3.49Å; I409-V413 PolarHBondContact O-N 2.98Å
410I95.9Very high94.9Very high37 Ų3775.2 Ų75.219%0.1938%0.379CS..Hα-helixtrans-54.1-45-176.4-73.6174.5000111.6A258 V406 A407 S414A258-I410 HydrophobicContact CB-CG1 3.87Å; V406-I410 HydrophobicContact CG1-CG1 4.48Å; V406-I410 WeakPolarHBondContact O-CG1 3.33Å; V406-I410 PolarHBondContact O-N 2.95Å; A407-I410 HydrophobicContact CB-CD1 4.46Å; I410-S414 VanDerWaalsContact O-CB 3.25Å; I410-S414 WeakPolarHBondContact O-CB 3.37Å; I410-S414 PolarHBondContact O-N 2.91Å; I410-S414 PolarHBondContact O-OG 3.26Å
411A96Very high95.1Very high67 Ų6771.1 Ų71.155%0.55436%0.355SS*.Hα-helixtrans-65.8-46.8-17800000111.7I409 S414 I415I409-A411 VanDerWaalsContact C-N 3.28Å; I409-A411 PolarHBondContact O-N 3.33Å; A411-S414 PolarHBondContact O-N 3.15Å; A411-I415 WeakPolarHBondContact O-CG1 3.44Å; A411-I415 PolarHBondContact O-N 3.34Å
412E96.7Very high95.2Very high111 Ų11177 Ų7752%0.51938%0.375SS..Hα-helixtrans-61.6-48.3178.4-172.5-175.7-178.900111.5L296 I409 S414 I415 A416L296-E412 HydrophobicContact CD2-CG 3.77Å; I409-E412 PolarHBondContact O-N 3.41Å; E412-S414 VanDerWaalsContact C-N 3.29Å; E412-S414 PolarHBondContact O-N 2.96Å; E412-I415 PolarHBondContact O-N 3.32Å; E412-A416 PolarHBondContact O-N 2.95Å
413V96.9Very high95.1Very high4 Ų478.3 Ų78.32%0.02438%0.378CS..Hα-helixtrans-63.1-37.3177.7175.80000111.1E257 A258 V261 M292 L296 I409 A416 R417E257-V413 HydrophobicContact CB-CG1 3.76Å; A258-V413 HydrophobicContact CB-CB 4.36Å; A258-V413 HydrophobicContact CB-CG1 4.4Å; A258-V413 HydrophobicContact CB-CG2 4.42Å; V261-V413 HydrophobicContact CB-CG2 4.16Å; V261-V413 HydrophobicContact CG1-CG2 4.2Å; V261-V413 HydrophobicContact CG2-CG1 4.26Å; V261-V413 HydrophobicContact CG2-CG2 4.1Å; M292-V413 HydrophobicContact CE-CG1 4.47Å; M292-V413 HydrophobicContact SD-CG1 3.9Å; L296-V413 HydrophobicContact CD1-CG2 3.92Å; I409-V413 HydrophobicContact CB-CG2 4.27Å; I409-V413 HydrophobicContact CD1-CG2 4.04Å; I409-V413 HydrophobicContact CG1-CG2 4.21Å; I409-V413 WeakPolarHBondContact O-CB 3.49Å; I409-V413 VanDerWaalsContact O-CG2 3.29Å; I409-V413 WeakPolarHBondContact O-CG2 3.49Å; I409-V413 PolarHBondContact O-N 2.98Å; V413-A416 PolarHBondContact O-N 2.86Å; V413-R417 VanDerWaalsContact O-CB 3.3Å; V413-R417 WeakPolarHBondContact O-CB 3.41Å; V413-R417 PolarHBondContact O-N 2.97Å
414S95.7Very high94.9Very high42 Ų4272 Ų7229%0.29435%0.348SS..Hα-helixtrans-65.1-38.3176.3-63.50000112.4I410 A411 E412 R418I410-S414 VanDerWaalsContact O-CB 3.25Å; I410-S414 WeakPolarHBondContact O-CB 3.37Å; I410-S414 PolarHBondContact O-N 2.91Å; I410-S414 PolarHBondContact O-OG 3.26Å; A411-S414 PolarHBondContact O-N 3.15Å; E412-S414 VanDerWaalsContact C-N 3.29Å; E412-S414 PolarHBondContact O-N 2.96Å; S414-R418 WeakPolarHBondContact O-CG 3.4Å; S414-R418 PolarHBondContact O-N 3.12Å; S414-R418 VanDerWaalsContact O-N 3.13Å
415I96.5Very high94.5Very high101 Ų10168.8 Ų68.852%0.51834%0.339SS..Hα-helixtrans-66.5-50.2174.7-66.4164.1000109.8A411 E412 R417 R418 D419A411-I415 WeakPolarHBondContact O-CG1 3.44Å; A411-I415 PolarHBondContact O-N 3.34Å; E412-I415 PolarHBondContact O-N 3.32Å; I415-R417 VanDerWaalsContact C-N 3.26Å; I415-R417 PolarHBondContact O-N 2.89Å; I415-R418 PolarHBondContact O-N 2.71Å; I415-R418 VanDerWaalsContact O-N 3.1Å; I415-D419 PolarHBondContact O-N 3.24Å
416A96.7Very high94Very high8 Ų869.8 Ų69.87%0.06635%0.345CS..Hα-helixtrans-56.3-40.3177.300000112.5M292 S295 L296 E412 V413 D419 A420M292-A416 HydrophobicContact CG-CB 3.97Å; S295-A416 WeakPolarHBondContact OG-CB 3.48Å; L296-A416 HydrophobicContact CD1-CB 4.2Å; L296-A416 HydrophobicContact CD2-CB 3.93Å; L296-A416 HydrophobicContact CG-CB 3.92Å; E412-A416 PolarHBondContact O-N 2.95Å; V413-A416 PolarHBondContact O-N 2.86Å; A416-D419 PolarHBondContact O-N 3.25Å; A416-A420 WeakPolarHBondContact O-CB 3.43Å; A416-A420 PolarHBondContact O-N 3.21Å
417R96Very high93.3Very high65 Ų6574.3 Ų74.325%0.24537%0.368CS..Hα-helixtrans-62.6-47.8175.1179.1178.2162.4-172.3-11.2111.9E257 L288 M292 V413 I415 D419 A420 E421E257-R417 IonicContact OE1-NH1 2.74Å; E257-R417 IonicContact OE2-CZ 2.83Å; E257-R417 IonicContact OE2-NH1 3.61Å; E257-R417 PolarHBondContact OE2-NH1 2.92Å; L288-R417 HydrophobicContact CD2-CG 4.44Å; M292-R417 HydrophobicContact SD-CB 3.97Å; V413-R417 VanDerWaalsContact O-CB 3.3Å; V413-R417 WeakPolarHBondContact O-CB 3.41Å; V413-R417 PolarHBondContact O-N 2.97Å; I415-R417 VanDerWaalsContact C-N 3.26Å; I415-R417 PolarHBondContact O-N 2.89Å; R417-D419 VanDerWaalsContact C-N 3.32Å; R417-D419 PolarHBondContact O-N 3.38Å; R417-A420 PolarHBondContact O-N 3.41Å; R417-E421 IonicContact CZ-OE1 3.64Å; R417-E421 IonicContact NE-OE1 2.89Å; R417-E421 PolarHBondContact NE-OE1 2.83Å; R417-E421 IonicContact NH2-OE1 3.57Å; R417-E421 PolarHBondContact NH2-OE1 3.37Å; R417-E421 WeakPolarHBondContact O-CG 3.38Å; R417-E421 PolarHBondContact O-N 2.84Å
418R95.3Very high92.5Very high179 Ų17979 Ų7968%0.67537%0.374SS*.Hα-helixtrans-61.4-40.8178.2-72.9174.4-176173.82.3111.8S414 I415 E421 R422S414-R418 WeakPolarHBondContact O-CG 3.4Å; S414-R418 PolarHBondContact O-N 3.12Å; S414-R418 VanDerWaalsContact O-N 3.13Å; I415-R418 PolarHBondContact O-N 2.71Å; I415-R418 VanDerWaalsContact O-N 3.1Å; R418-E421 PolarHBondContact O-N 3.17Å; R418-R422 PolarHBondContact O-N 3.29Å
419D95.2Very high91.4Very high57 Ų5773.8 Ų73.831%0.30535%0.349SS..Hα-helixtrans-65.3-38.9175.4-80.5-31.4000112.5I415 A416 R417 R422 K423I415-D419 PolarHBondContact O-N 3.24Å; A416-D419 PolarHBondContact O-N 3.25Å; R417-D419 VanDerWaalsContact C-N 3.32Å; R417-D419 PolarHBondContact O-N 3.38Å; D419-R422 PolarHBondContact O-N 2.87Å; D419-R422 IonicContact OD1-CZ 3.62Å; D419-R422 IonicContact OD1-NE 3.68Å; D419-R422 IonicContact OD1-NH2 2.69Å; D419-R422 PolarHBondContact OD1-NH2 2.79Å; D419-K423 WeakPolarHBondContact O-CG 3.29Å; D419-K423 PolarHBondContact O-N 3.04Å
420A94.6Very high90.4Very high3 Ų374 Ų743%0.02535%0.351CS..Hα-helixtrans-66.6-3917400000112.4L288 L291 M292 A416 R417 K423 L424L288-A420 HydrophobicContact CD1-CB 3.6Å; L291-A420 HydrophobicContact CB-CB 3.65Å; L291-A420 HydrophobicContact CD1-CB 4.47Å; M292-A420 HydrophobicContact CB-CB 4.27Å; A416-A420 WeakPolarHBondContact O-CB 3.43Å; A416-A420 PolarHBondContact O-N 3.21Å; R417-A420 PolarHBondContact O-N 3.41Å; A420-K423 PolarHBondContact O-N 2.99Å; A420-L424 WeakPolarHBondContact O-CG 3.25Å; A420-L424 PolarHBondContact O-N 2.97Å
421E93.5Very high89.3Confident67 Ų6776 Ų7631%0.31336%0.359SS..Hα-helixtrans-61.3-47.2173.5-74174.2174.600110.6L288 R417 R418 K423 L424 D425L288-E421 HydrophobicContact CD1-CB 4.26Å; L288-E421 HydrophobicContact CD1-CG 3.47Å; L288-E421 VanDerWaalsContact CD1-CG 3.47Å; L288-E421 HydrophobicContact CD2-CG 4.31Å; R417-E421 IonicContact CZ-OE1 3.64Å; R417-E421 IonicContact NE-OE1 2.89Å; R417-E421 PolarHBondContact NE-OE1 2.83Å; R417-E421 IonicContact NH2-OE1 3.57Å; R417-E421 PolarHBondContact NH2-OE1 3.37Å; R417-E421 WeakPolarHBondContact O-CG 3.38Å; R417-E421 PolarHBondContact O-N 2.84Å; R418-E421 PolarHBondContact O-N 3.17Å; E421-K423 PolarHBondContact O-N 2.84Å; E421-L424 WeakPolarHBondContact O-CB 3.34Å; E421-L424 PolarHBondContact O-N 3.03Å; E421-L424 VanDerWaalsContact O-N 3.16Å; E421-D425 PolarHBondContact O-N 3.24Å; E421-D425 VanDerWaalsContact O-N 3.1Å
422R93.2Very high87.9Confident139 Ų13979.7 Ų79.753%0.52536%0.362SS..Hα-helixtrans-57.8-48.2175.8176.8172.657.4134.9-6.6112.5R418 D419 L424 D425 E426R418-R422 PolarHBondContact O-N 3.29Å; D419-R422 PolarHBondContact O-N 2.87Å; D419-R422 IonicContact OD1-CZ 3.62Å; D419-R422 IonicContact OD1-NE 3.68Å; D419-R422 IonicContact OD1-NH2 2.69Å; D419-R422 PolarHBondContact OD1-NH2 2.79Å; R422-L424 VanDerWaalsContact C-N 3.28Å; R422-L424 PolarHBondContact O-N 2.96Å; R422-D425 PolarHBondContact O-N 3.03Å; R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 3.27Å
423K91.4Very high86.5Confident101 Ų10181.1 Ų81.144%0.43936%0.363SS..Hα-helixtrans-60.6-36.7177.2-75.3175.9-178.3175.70112.5L291 D419 A420 E421 E426 I427L291-K423 HydrophobicContact CD1-CB 4.05Å; D419-K423 WeakPolarHBondContact O-CG 3.29Å; D419-K423 PolarHBondContact O-N 3.04Å; A420-K423 PolarHBondContact O-N 2.99Å; E421-K423 PolarHBondContact O-N 2.84Å; K423-E426 PolarHBondContact O-N 3.37Å; K423-I427 WeakPolarHBondContact O-CG1 3.45Å; K423-I427 PolarHBondContact O-N 3.33Å; K423-I427 VanDerWaalsContact O-N 3.16Å
424L88.1Confident85.3Confident1 Ų186.9 Ų86.91%0.00539%0.39CS..Hα-helixtrans-65.7-38.5177.4-87.2174.7000113K284 H287 L288 L291 A420 E421 R422 I427 F429K284-L424 HydrophobicContact CG-CD1 4.16Å; H287-L424 HydrophobicContact CB-CD2 3.98Å; H287-L424 WeakPolarHBondContact CD2-CD2 3.42Å; L288-L424 HydrophobicContact CB-CD1 3.69Å; L288-L424 HydrophobicContact CD1-CD1 3.81Å; L288-L424 HydrophobicContact CG-CD1 4.37Å; L291-L424 HydrophobicContact CD1-CD2 4.48Å; L291-L424 HydrophobicContact CD1-CG 4.08Å; A420-L424 WeakPolarHBondContact O-CG 3.25Å; A420-L424 PolarHBondContact O-N 2.97Å; E421-L424 WeakPolarHBondContact O-CB 3.34Å; E421-L424 PolarHBondContact O-N 3.03Å; E421-L424 VanDerWaalsContact O-N 3.16Å; R422-L424 VanDerWaalsContact C-N 3.28Å; R422-L424 PolarHBondContact O-N 2.96Å; L424-I427 HydrophobicContact CD2-CD1 4.06Å; L424-I427 VanDerWaalsContact O-CG1 3.25Å; L424-I427 WeakPolarHBondContact O-CG1 3.46Å; L424-F429 HydrophobicContact CD2-CB 4Å; L424-F429 HydrophobicContact CD2-CD2 4.06Å; L424-F429 HydrophobicContact CD2-CG 3.99Å; L424-F429 PolarHBondContact O-N 3.21Å
425D85.7Confident84.2Confident101 Ų10188.7 Ų88.754%0.5440%0.395SS..Hα-helixtrans-72.6-37.9177.8-67.3-18.8000110.8K284 E421 R422 I427 R428K284-D425 IonicContact NZ-OD1 3.88Å; E421-D425 PolarHBondContact O-N 3.24Å; E421-D425 VanDerWaalsContact O-N 3.1Å; R422-D425 PolarHBondContact O-N 3.03Å; D425-I427 PolarHBondContact O-N 3.28Å; D425-R428 PolarHBondContact O-N 3.15Å
426E83.8Confident82.8Confident128 Ų12887.7 Ų87.760%0.59839%0.391SS*.Hα-helixtrans-60-43.2174.4-74.8171.7-17400112.9R422 K423 R428R422-E426 WeakPolarHBondContact O-CG 3.45Å; R422-E426 PolarHBondContact O-N 3.27Å; K423-E426 PolarHBondContact O-N 3.37Å; E426-R428 PolarHBondContact O-N 3.28Å
427I81.5Confident81.6Confident98 Ų9892.5 Ų92.550%0.50341%0.411SS..THydrogen-bonded Turntrans-76.74177.266.7174.2000113.3K423 L424 D425 F429K423-I427 WeakPolarHBondContact O-CG1 3.45Å; K423-I427 PolarHBondContact O-N 3.33Å; K423-I427 VanDerWaalsContact O-N 3.16Å; L424-I427 HydrophobicContact CD2-CD1 4.06Å; L424-I427 VanDerWaalsContact O-CG1 3.25Å; L424-I427 WeakPolarHBondContact O-CG1 3.46Å; D425-I427 PolarHBondContact O-N 3.28Å; I427-F429 HydrophobicContact CD1-CB 4.24Å; I427-F429 HydrophobicContact CD1-CD2 4.07Å; I427-F429 HydrophobicContact CG1-CB 4.09Å; I427-F429 PolarHBondContact O-N 3.44Å
428R76.9Confident80.5Confident157 Ų15791.4 Ų91.459%0.59242%0.415SS*.THydrogen-bonded Turntrans46.446.7-177.2-61.5-172.7175.2-173.71112.1D425 E426 D430 E431D425-R428 PolarHBondContact O-N 3.15Å; E426-R428 PolarHBondContact O-N 3.28Å; R428-D430 PolarHBondContact O-N 3.4Å; R428-E431 HydrophobicContact CB-CB 3.78Å; R428-E431 WeakPolarHBondContact CB-OE2 3.39Å; R428-E431 VanDerWaalsContact CD-CD 3.49Å; R428-E431 WeakPolarHBondContact CD-OE2 3.29Å; R428-E431 IonicContact CZ-OE1 2.84Å; R428-E431 IonicContact NH1-OE1 2.76Å; R428-E431 PolarHBondContact NH1-OE1 3.08Å; R428-E431 IonicContact NH1-OE2 3.01Å; R428-E431 VanDerWaalsContact O-CB 3.29Å; R428-E431 WeakPolarHBondContact O-CB 3.29Å; R428-E431 PolarHBondContact O-N 3.32Å
429F73.4Confident79.4Confident45 Ų4588.9 Ų88.920%0.19741%0.409CS..THydrogen-bonded Turntrans-53-33.1-171.6-173.9-94.1000113.1C283 K284 H287 H304 S306 L424 I427C283-F429 HydrophobicContact CB-CE1 4.17Å; C283-F429 HydrophobicContact CB-CZ 4.05Å; K284-F429 HydrophobicContact CB-CD1 4.4Å; K284-F429 HydrophobicContact CB-CE1 4.21Å; H287-F429 HydrophobicContact CB-CE2 4.21Å; H287-F429 HydrophobicContact CB-CZ 4.37Å; H304-F429 AromaticContact CE1-CZ 3.93Å; S306-F429 WeakPolarHBondContact OG-CZ 3.27Å; L424-F429 HydrophobicContact CD2-CB 4Å; L424-F429 HydrophobicContact CD2-CD2 4.06Å; L424-F429 HydrophobicContact CD2-CG 3.99Å; L424-F429 PolarHBondContact O-N 3.21Å; I427-F429 HydrophobicContact CD1-CB 4.24Å; I427-F429 HydrophobicContact CD1-CD2 4.07Å; I427-F429 HydrophobicContact CG1-CB 4.09Å; I427-F429 PolarHBondContact O-N 3.44Å
430D75.3Confident78.2Confident44 Ų4491.1 Ų91.124%0.23542%0.421CS..THydrogen-bonded Turntrans-80.9-21.1-179.8-71.9-49.8000113.7K284 R428 K432 R433 E434K284-D430 IonicContact NZ-OD2 3.45Å; K284-D430 PolarHBondContact NZ-OD2 3.1Å; R428-D430 PolarHBondContact O-N 3.4Å; D430-K432 PolarHBondContact O-N 3.27Å; D430-R433 WeakPolarHBondContact O-CA 3.37Å; D430-R433 WeakPolarHBondContact O-CB 3.34Å; D430-R433 PolarHBondContact O-N 2.95Å; D430-E434 WeakPolarHBondContact O-CG 3.5Å; D430-E434 PolarHBondContact O-N 3.22Å
431E72.2Confident77.2Confident77 Ų7796.6 Ų96.636%0.3645%0.449SS..Hα-helixtrans-61-43.5-173.2-178.4179.5-137.800112R428 R433 E434 I435R428-E431 HydrophobicContact CB-CB 3.78Å; R428-E431 WeakPolarHBondContact CB-OE2 3.39Å; R428-E431 VanDerWaalsContact CD-CD 3.49Å; R428-E431 WeakPolarHBondContact CD-OE2 3.29Å; R428-E431 IonicContact CZ-OE1 2.84Å; R428-E431 IonicContact NH1-OE1 2.76Å; R428-E431 PolarHBondContact NH1-OE1 3.08Å; R428-E431 IonicContact NH1-OE2 3.01Å; R428-E431 VanDerWaalsContact O-CB 3.29Å; R428-E431 WeakPolarHBondContact O-CB 3.29Å; R428-E431 PolarHBondContact O-N 3.32Å; E431-R433 PolarHBondContact O-N 3.19Å; E431-E434 PolarHBondContact O-N 3.23Å; E431-E434 VanDerWaalsContact O-N 3.15Å; E431-I435 HydrophobicContact CG-CD1 3.88Å; E431-I435 HydrophobicContact CG-CG1 4.41Å; E431-I435 WeakPolarHBondContact O-CB 3.02Å; E431-I435 VanDerWaalsContact O-CG1 3.27Å; E431-I435 WeakPolarHBondContact O-CG1 3.28Å; E431-I435 PolarHBondContact O-N 3.37Å
432K66.9Low76.1Confident145 Ų14599.6 Ų99.663%0.6347%0.465SS*.Hα-helixtrans-61.5-34.6176.3-169.2174.1-175.6174.70112D430 N436D430-K432 PolarHBondContact O-N 3.27Å; K432-N436 WeakPolarHBondContact O-CB 3.49Å; K432-N436 VanDerWaalsContact O-CG 3.26Å; K432-N436 PolarHBondContact O-N 2.9Å; K432-N436 PolarHBondContact O-ND2 2.85Å
433R68Low74.8Confident142 Ų142100.1 Ų100.154%0.53647%0.471SS..Hα-helixtrans-72.9-39.7177.1-162.4-178.988171.43.7110.7D430 E431 N436 K437D430-R433 WeakPolarHBondContact O-CA 3.37Å; D430-R433 WeakPolarHBondContact O-CB 3.34Å; D430-R433 PolarHBondContact O-N 2.95Å; E431-R433 PolarHBondContact O-N 3.19Å; R433-N436 PolarHBondContact O-N 2.94Å; R433-K437 WeakPolarHBondContact O-CB 3.42Å; R433-K437 WeakPolarHBondContact O-CG 3.49Å; R433-K437 PolarHBondContact O-N 3.18Å
434E71.7Confident73.6Confident124 Ų12497.9 Ų97.958%0.57947%0.471SS*.Hα-helixtrans-64.6-46.3177-70.1176.7154.500111.6D430 E431 N436 K437 A438D430-E434 WeakPolarHBondContact O-CG 3.5Å; D430-E434 PolarHBondContact O-N 3.22Å; E431-E434 PolarHBondContact O-N 3.23Å; E431-E434 VanDerWaalsContact O-N 3.15Å; E434-N436 VanDerWaalsContact C-N 3.32Å; E434-N436 PolarHBondContact O-N 3.29Å; E434-K437 PolarHBondContact O-N 2.94Å; E434-A438 WeakPolarHBondContact O-CB 3.42Å; E434-A438 PolarHBondContact O-N 2.89Å
435I72.7Confident72.5Confident81 Ų81107.1 Ų107.142%0.41551%0.506SS..Hα-helixtrans-57.3-45.9174.2-67.5166.7000110.6E431 A438 K439E431-I435 HydrophobicContact CG-CD1 3.88Å; E431-I435 HydrophobicContact CG-CG1 4.41Å; E431-I435 WeakPolarHBondContact O-CB 3.02Å; E431-I435 VanDerWaalsContact O-CG1 3.27Å; E431-I435 WeakPolarHBondContact O-CG1 3.28Å; E431-I435 PolarHBondContact O-N 3.37Å; I435-A438 PolarHBondContact O-N 3.13Å; I435-K439 HydrophobicContact CG2-CD 4.22Å; I435-K439 WeakPolarHBondContact O-CB 3.29Å; I435-K439 WeakPolarHBondContact O-CG 3.46Å; I435-K439 PolarHBondContact O-N 3.1Å
436N67.3Low71.2Confident80 Ų80105.7 Ų105.743%0.42850%0.504SS..Hα-helixtrans-67.1-39.6179.1-74.9-20.5000112.6K432 R433 E434 K439 N440K432-N436 WeakPolarHBondContact O-CB 3.49Å; K432-N436 VanDerWaalsContact O-CG 3.26Å; K432-N436 PolarHBondContact O-N 2.9Å; K432-N436 PolarHBondContact O-ND2 2.85Å; R433-N436 PolarHBondContact O-N 2.94Å; E434-N436 VanDerWaalsContact C-N 3.32Å; E434-N436 PolarHBondContact O-N 3.29Å; N436-K439 PolarHBondContact O-N 3.42Å; N436-N440 WeakPolarHBondContact O-CB 3.3Å; N436-N440 VanDerWaalsContact O-CG 3.29Å; N436-N440 PolarHBondContact O-N 3.45Å
437K72Confident69.8Low109 Ų109103 Ų10347%0.47450%0.499SS..Hα-helixtrans-62.5-44.5173.6-78.9-176.1177.5-167.70111.2R433 E434 N440 L441R433-K437 WeakPolarHBondContact O-CB 3.42Å; R433-K437 WeakPolarHBondContact O-CG 3.49Å; R433-K437 PolarHBondContact O-N 3.18Å; E434-K437 PolarHBondContact O-N 2.94Å; K437-N440 PolarHBondContact O-N 2.86Å; K437-L441 WeakPolarHBondContact O-CB 3.25Å; K437-L441 WeakPolarHBondContact O-CD1 3.38Å; K437-L441 WeakPolarHBondContact O-CG 3.41Å; K437-L441 PolarHBondContact O-N 3.47Å
438A72.2Confident68.4Low42 Ų42105.8 Ų105.835%0.34751%0.508SS..Hα-helixtrans-61-46.1177.100000111.4E434 I435 N440 L441 M442E434-A438 WeakPolarHBondContact O-CB 3.42Å; E434-A438 PolarHBondContact O-N 2.89Å; I435-A438 PolarHBondContact O-N 3.13Å; A438-N440 PolarHBondContact O-N 3.21Å; A438-L441 PolarHBondContact O-N 2.97Å; A438-M442 WeakPolarHBondContact O-CG 3.42Å; A438-M442 PolarHBondContact O-N 2.94Å
439K71.9Confident67.3Low125 Ų125102.8 Ų102.854%0.54351%0.507SS..Hα-helixtrans-59.5-43.6175-75179.6179.1-176.80112.5I435 N436 M442 K443I435-K439 HydrophobicContact CG2-CD 4.22Å; I435-K439 WeakPolarHBondContact O-CB 3.29Å; I435-K439 WeakPolarHBondContact O-CG 3.46Å; I435-K439 PolarHBondContact O-N 3.1Å; N436-K439 PolarHBondContact O-N 3.42Å; K439-M442 PolarHBondContact O-N 3.48Å; K439-K443 PolarHBondContact O-N 3.48Å
440N69.4Low66.1Low105 Ų105106.5 Ų106.556%0.56153%0.528SS*.Hα-helixtrans-67.4-39.2178.3-72.2-9.2000112.4N436 K437 A438 K443 A444N436-N440 WeakPolarHBondContact O-CB 3.3Å; N436-N440 VanDerWaalsContact O-CG 3.29Å; N436-N440 PolarHBondContact O-N 3.45Å; K437-N440 PolarHBondContact O-N 2.86Å; A438-N440 PolarHBondContact O-N 3.21Å; N440-K443 PolarHBondContact O-N 3.28Å; N440-A444 WeakPolarHBondContact O-CB 3.4Å; N440-A444 PolarHBondContact O-N 3.01Å
441L73.1Confident64.8Low117 Ų117111.4 Ų111.461%0.61355%0.554SS**Hα-helixtrans-63-41.5174.1-82.7157.3000111.9K437 A438 R445K437-L441 WeakPolarHBondContact O-CB 3.25Å; K437-L441 WeakPolarHBondContact O-CD1 3.38Å; K437-L441 WeakPolarHBondContact O-CG 3.41Å; K437-L441 PolarHBondContact O-N 3.47Å; A438-L441 PolarHBondContact O-N 2.97Å; L441-R445 WeakPolarHBondContact O-CG 3.35Å; L441-R445 PolarHBondContact O-N 3.1Å
442M70.5Confident63.6Low131 Ų131116.9 Ų116.965%0.64558%0.577SS**Hα-helixtrans-62.5-46.7174.3-70.9-170.3-159.500111.5A438 K439 A444 R445 S446A438-M442 WeakPolarHBondContact O-CG 3.42Å; A438-M442 PolarHBondContact O-N 2.94Å; K439-M442 PolarHBondContact O-N 3.48Å; M442-A444 PolarHBondContact O-N 3.22Å; M442-R445 WeakPolarHBondContact O-CB 3.37Å; M442-R445 PolarHBondContact O-N 3.35Å; M442-S446 PolarHBondContact O-N 3.03Å; M442-S446 PolarHBondContact O-OG 3.45Å
443K67.5Low62.2Low150 Ų150118.1 Ų118.165%0.65260%0.597SS**Hα-helixtrans-57.9-48.8176.1-75.5-174.7176.3-168.90112.1K439 N440 R445 S446 S447K439-K443 PolarHBondContact O-N 3.48Å; N440-K443 PolarHBondContact O-N 3.28Å; K443-R445 VanDerWaalsContact C-N 3.27Å; K443-R445 PolarHBondContact O-N 2.96Å; K443-S446 PolarHBondContact O-N 3.34Å; K443-S447 PolarHBondContact O-N 3.04Å; K443-S447 PolarHBondContact O-OG 3Å
444A65.5Low61.9Low53 Ų53116.9 Ų116.944%0.43860%0.6SS.*Hα-helixtrans-62.7-32.3179.300000113N440 M442 K448N440-A444 WeakPolarHBondContact O-CB 3.4Å; N440-A444 PolarHBondContact O-N 3.01Å; M442-A444 PolarHBondContact O-N 3.22Å; A444-K448 WeakPolarHBondContact O-CG 3.45Å; A444-K448 PolarHBondContact O-N 3.06Å
445R65.1Low61.4Low195 Ų195116.5 Ų116.574%0.73660%0.601SS**Hα-helixtrans-67.6-48.9172.2-82.3-179.6144.8-176.2-6.3111.5L441 M442 K443 S447 K448 T449L441-R445 WeakPolarHBondContact O-CG 3.35Å; L441-R445 PolarHBondContact O-N 3.1Å; M442-R445 WeakPolarHBondContact O-CB 3.37Å; M442-R445 PolarHBondContact O-N 3.35Å; K443-R445 VanDerWaalsContact C-N 3.27Å; K443-R445 PolarHBondContact O-N 2.96Å; R445-S447 VanDerWaalsContact C-N 3.31Å; R445-S447 PolarHBondContact O-N 3.16Å; R445-K448 PolarHBondContact O-N 3.18Å; R445-K448 VanDerWaalsContact O-N 3.12Å; R445-T449 PolarHBondContact O-N 2.84Å; R445-T449 VanDerWaalsContact O-N 3.09Å; R445-T449 PolarHBondContact O-OG1 3.16Å
446S58.9Low60.8Low71 Ų71118.5 Ų118.550%0.49761%0.611SS.*Hα-helixtrans-58.7-41177.5-630000112.4M442 K443 K448 T449 L450M442-S446 PolarHBondContact O-N 3.03Å; M442-S446 PolarHBondContact O-OG 3.45Å; K443-S446 PolarHBondContact O-N 3.34Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.48Å; S446-T449 PolarHBondContact O-N 2.96Å; S446-L450 VanDerWaalsContact O-CD1 3.27Å; S446-L450 WeakPolarHBondContact O-CD1 3.38Å; S446-L450 PolarHBondContact O-N 2.92Å; S446-L450 VanDerWaalsContact O-N 3.13Å
447S53.4Low60.4Low71 Ų71120.8 Ų120.850%0.49762%0.622SS.*Hα-helixtrans-62.6-36.3175.8-45.20000113.2K443 R445 N451K443-S447 PolarHBondContact O-N 3.04Å; K443-S447 PolarHBondContact O-OG 3Å; R445-S447 VanDerWaalsContact C-N 3.31Å; R445-S447 PolarHBondContact O-N 3.16Å; S447-N451 PolarHBondContact O-N 3.48Å
448K53.6Low59.7Low158 Ų158121.5 Ų121.569%0.68763%0.631SS**Hα-helixtrans-73.5-28.1176.9-77.8-175.5178.2-174.80113A444 R445 S446A444-K448 WeakPolarHBondContact O-CG 3.45Å; A444-K448 PolarHBondContact O-N 3.06Å; R445-K448 PolarHBondContact O-N 3.18Å; R445-K448 VanDerWaalsContact O-N 3.12Å; S446-K448 VanDerWaalsContact C-N 3.33Å; S446-K448 PolarHBondContact O-N 3.48Å
449T52.9Low58.8Low93 Ų93126.8 Ų126.857%0.57165%0.65SS**Hα-helixtrans-74.3-38.3176-42.50000111.2R445 S446 N451 K452R445-T449 PolarHBondContact O-N 2.84Å; R445-T449 VanDerWaalsContact O-N 3.09Å; R445-T449 PolarHBondContact O-OG1 3.16Å; S446-T449 PolarHBondContact O-N 2.96Å; T449-N451 VanDerWaalsContact C-N 3.34Å; T449-N451 PolarHBondContact O-N 2.7Å; T449-K452 PolarHBondContact O-N 3.04Å
450L48.1Very low57.9Low124 Ų124126.9 Ų126.965%0.64966%0.658SS**Hα-helixtrans-66.6-29.3175.8-92.696.1000113.9S446 K452 T453S446-L450 VanDerWaalsContact O-CD1 3.27Å; S446-L450 WeakPolarHBondContact O-CD1 3.38Å; S446-L450 PolarHBondContact O-N 2.92Å; S446-L450 VanDerWaalsContact O-N 3.13Å; L450-K452 VanDerWaalsContact C-N 3.27Å; L450-K452 PolarHBondContact O-N 2.76Å; L450-T453 PolarHBondContact O-OG1 3.41Å
451N47.2Very low57Low147 Ų147128.6 Ų128.679%0.78667%0.665SS**THydrogen-bonded Turntrans-83.93.4176.8-75.40.1000113.8S447 T449S447-N451 PolarHBondContact O-N 3.48Å; T449-N451 VanDerWaalsContact C-N 3.34Å; T449-N451 PolarHBondContact O-N 2.7Å
452K47.4Very low55.7Low192 Ų192129.6 Ų129.684%0.83567%0.67SS**THydrogen-bonded Turntrans-114.21.8179.1-82.5-168.9172.8-167.50113.9T449 L450T449-K452 PolarHBondContact O-N 3.04Å; L450-K452 VanDerWaalsContact C-N 3.27Å; L450-K452 PolarHBondContact O-N 2.76Å
453T38.2Very low54.3Low170 Ų170129.5 Ų129.5100%1.04367%0.672SS**  trans-1150169.443.50000107.7L450L450-T453 PolarHBondContact O-OG1 3.41Å

Retrieved 453 of 453 residues in 485.2 ms (Link to these results)

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