A0A096LQE0_POEFO Loading...

Spermatogenesis associated 2 like

AlphaFold DB , UniProt , Accession A0A096LQE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 427 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
1M52.5Low77.4Confident106 Ų10662 Ų6252%0.52231%0.31SS..  0129.50-84173.8-86.500108.5D5 L6 E35 L39M1-D5 VanDerWaalsContact CA-OD2 3.25Å; M1-D5 WeakPolarHBondContact CA-OD2 3.39Å; M1-D5 HydrophobicContact CB-CB 4Å; M1-D5 HydrophobicContact CG-CB 3.87Å; M1-L6 HydrophobicContact SD-CD2 4.41Å; M1-E35 HydrophobicContact CE-CG 4.08Å; M1-E35 WeakPolarHBondContact CE-OE1 3.41Å; M1-L39 HydrophobicContact CB-CD1 4.21Å; M1-L39 HydrophobicContact CE-CD1 3.57Å; M1-L39 HydrophobicContact CE-CD2 4.02Å; M1-L39 HydrophobicContact CE-CG 4.17Å; M1-L39 HydrophobicContact SD-CD1 4.19Å
2R61.8Low78.3Confident210 Ų21069.7 Ų69.779%0.79233%0.333SS*.  trans-86.8167.5170-59.7-176.9-157.8-173.15.8109.1V4 D5 L6R2-V4 PolarHBondContact O-N 3.31Å; R2-D5 PolarHBondContact N-OD2 2.91Å; R2-D5 WeakPolarHBondContact O-CB 3.39Å; R2-D5 PolarHBondContact O-N 3.17Å; R2-L6 PolarHBondContact O-N 3.38Å
3G59.4Low79.2Confident14 Ų1465.8 Ų65.814%0.14432%0.317CS..Hα-helixtrans-52.7-28.917900000115.1L6 V7G3-L6 PolarHBondContact O-N 3.45Å; G3-V7 WeakPolarHBondContact O-CG2 3.11Å; G3-V7 PolarHBondContact O-N 2.74Å
4V60.6Low79.7Confident93 Ų9361.8 Ų61.856%0.56430%0.297SS*.Hα-helixtrans-68.3-36.4175.5-179.20000112.4R2 L6 V7 Q8R2-V4 PolarHBondContact O-N 3.31Å; V4-L6 VanDerWaalsContact C-N 3.3Å; V4-L6 PolarHBondContact O-N 3.29Å; V4-V7 PolarHBondContact O-N 3.31Å; V4-Q8 PolarHBondContact O-N 3.34Å
5D80.4Confident79.9Confident69 Ų6964.7 Ų64.737%0.36931%0.31SS..Hα-helixtrans-69-34.2179.2-53.5-32.9000110.6M1 R2 Q8 A9M1-D5 VanDerWaalsContact CA-OD2 3.25Å; M1-D5 WeakPolarHBondContact CA-OD2 3.39Å; M1-D5 HydrophobicContact CB-CB 4Å; M1-D5 HydrophobicContact CG-CB 3.87Å; R2-D5 PolarHBondContact N-OD2 2.91Å; R2-D5 WeakPolarHBondContact O-CB 3.39Å; R2-D5 PolarHBondContact O-N 3.17Å; D5-Q8 PolarHBondContact O-N 3.3Å; D5-A9 WeakPolarHBondContact O-CB 3.43Å; D5-A9 PolarHBondContact O-N 2.79Å
6L86.2Confident79.8Confident4 Ų468.9 Ų68.92%0.02133%0.33CS..Hα-helixtrans-68.5-39.1178.2-73.1174.3000112.9M1 R2 G3 V4 Q8 A9 Y10 V36 L39 L48 L162M1-L6 HydrophobicContact SD-CD2 4.41Å; R2-L6 PolarHBondContact O-N 3.38Å; G3-L6 PolarHBondContact O-N 3.45Å; V4-L6 VanDerWaalsContact C-N 3.3Å; V4-L6 PolarHBondContact O-N 3.29Å; L6-Q8 VanDerWaalsContact C-N 3.31Å; L6-Q8 PolarHBondContact O-N 3.25Å; L6-A9 PolarHBondContact O-N 2.06Å; L6-Y10 VanDerWaalsContact O-CB 3.28Å; L6-Y10 WeakPolarHBondContact O-CB 3.38Å; L6-Y10 PolarHBondContact O-N 2.97Å; L6-V36 HydrophobicContact CD2-CG2 3.84Å; L6-L39 HydrophobicContact CD2-CD1 3.85Å; L6-L48 HydrophobicContact CD1-CD2 3.49Å; L6-L48 VanDerWaalsContact CD1-CD2 3.49Å; L6-L162 HydrophobicContact CD1-CD1 4.2Å; L6-L162 HydrophobicContact CD1-CD2 4.25Å
7V90.1Very high79.8Confident20 Ų2066.2 Ų66.212%0.12132%0.316CS..Hα-helixtrans-65.5-39.4176.2-1800000110.1G3 V4 Y10 D11 L51 L154 R155 C158G3-V7 WeakPolarHBondContact O-CG2 3.11Å; G3-V7 PolarHBondContact O-N 2.74Å; V4-V7 PolarHBondContact O-N 3.31Å; V7-Y10 PolarHBondContact O-N 2.85Å; V7-D11 WeakPolarHBondContact O-CB 3.5Å; V7-D11 PolarHBondContact O-N 3.03Å; V7-L51 HydrophobicContact CG2-CD1 3.87Å; V7-L51 HydrophobicContact CG2-CD2 3.8Å; V7-L154 HydrophobicContact CG1-CD2 4.34Å; V7-L154 HydrophobicContact CG1-CG 4.24Å; V7-R155 HydrophobicContact CG1-CG 4.23Å; V7-R155 HydrophobicContact CG2-CG 4.14Å; V7-C158 HydrophobicContact CG2-CB 4.13Å
8Q87.7Confident79.4Confident102 Ų10264.5 Ų64.548%0.47731%0.309SS..Hα-helixtrans-66.5-41.8175.5-69-179.3-3.300112.5V4 D5 L6 D11 R12V4-Q8 PolarHBondContact O-N 3.34Å; D5-Q8 PolarHBondContact O-N 3.3Å; L6-Q8 VanDerWaalsContact C-N 3.31Å; L6-Q8 PolarHBondContact O-N 3.25Å; Q8-D11 PolarHBondContact O-N 2.86Å; Q8-R12 WeakPolarHBondContact O-CG 3.43Å; Q8-R12 PolarHBondContact O-N 3.16Å
9A90.6Very high78.9Confident22 Ų2268.9 Ų68.918%0.18233%0.334CS..Hα-helixtrans-62.4-44.6175.400000111.4D5 L6 R12 V13 L32D5-A9 WeakPolarHBondContact O-CB 3.43Å; D5-A9 PolarHBondContact O-N 2.79Å; L6-A9 PolarHBondContact O-N 2.06Å; A9-R12 PolarHBondContact O-N 3.34Å; A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 3.23Å; A9-V13 VanDerWaalsContact O-N 3.13Å; A9-L32 HydrophobicContact CB-CD1 4.05Å
10Y92.7Very high78.2Confident3 Ų368.8 Ų68.81%0.01235%0.351CS..Hα-helixtrans-60.4-45.3175.5-177.5-89.8000112.2L6 V7 V13 L14 C27 L32 E82 L86 L154 A157 C158 F161L6-Y10 VanDerWaalsContact O-CB 3.28Å; L6-Y10 WeakPolarHBondContact O-CB 3.38Å; L6-Y10 PolarHBondContact O-N 2.97Å; V7-Y10 PolarHBondContact O-N 2.85Å; Y10-V13 PolarHBondContact O-N 3.46Å; Y10-L14 WeakPolarHBondContact O-CB 3.48Å; Y10-L14 PolarHBondContact O-N 2.92Å; Y10-C27 HydrophobicContact CD2-CB 4.44Å; Y10-C27 HydrophobicContact CE2-CB 3.63Å; Y10-L32 HydrophobicContact CD2-CD2 4.17Å; Y10-E82 PolarHBondContact OH-OE1 2.97Å; Y10-L86 HydrophobicContact CE1-CD2 4.31Å; Y10-L154 HydrophobicContact CD1-CD1 4.09Å; Y10-L154 HydrophobicContact CE1-CD1 4.17Å; Y10-A157 HydrophobicContact CE1-CB 4.14Å; Y10-C158 HydrophobicContact CD1-CB 4.13Å; Y10-C158 HydrophobicContact CG-CB 4.07Å; Y10-F161 HydrophobicContact CD2-CB 4.15Å; Y10-F161 AromaticContact CD2-CD1 3.74Å; Y10-F161 HydrophobicContact CD2-CD1 3.74Å; Y10-F161 HydrophobicContact CD2-CE1 4.28Å; Y10-F161 AromaticContact CD2-CG 3.92Å; Y10-F161 HydrophobicContact CD2-CG 3.92Å; Y10-F161 HydrophobicContact CE2-CB 3.62Å; Y10-F161 HydrophobicContact CE2-CD1 4Å; Y10-F161 HydrophobicContact CE2-CD2 4.16Å; Y10-F161 AromaticContact CE2-CG 3.67Å; Y10-F161 HydrophobicContact CE2-CG 3.67Å
11D89.9Confident77.8Confident39 Ų3975.7 Ų75.721%0.20937%0.373CS..Hα-helixtrans-61.8-45.3179.2-163.830.4000111.9V7 Q8 V13 L14 E15 L154V7-D11 WeakPolarHBondContact O-CB 3.5Å; V7-D11 PolarHBondContact O-N 3.03Å; Q8-D11 PolarHBondContact O-N 2.86Å; D11-V13 VanDerWaalsContact C-N 3.32Å; D11-V13 PolarHBondContact O-N 3.46Å; D11-L14 WeakPolarHBondContact O-CB 3.24Å; D11-L14 PolarHBondContact O-N 3.03Å; D11-L14 VanDerWaalsContact O-N 3.16Å; D11-E15 WeakPolarHBondContact O-CG 2.9Å; D11-E15 PolarHBondContact O-N 3.28Å; D11-L154 HydrophobicContact CB-CD2 3.99Å; D11-L154 WeakPolarHBondContact OD1-CD2 3.18Å
12R87.9Confident78.5Confident154 Ų15473.2 Ų73.258%0.58137%0.374SS*.Hα-helixtrans-59-42.8175.5-71.6173.4-174171.84.4112.3Q8 A9 E15 Q16Q8-R12 WeakPolarHBondContact O-CG 3.43Å; Q8-R12 PolarHBondContact O-N 3.16Å; A9-R12 PolarHBondContact O-N 3.34Å; R12-E15 PolarHBondContact O-N 2.83Å; R12-Q16 WeakPolarHBondContact O-CB 3.4Å; R12-Q16 VanDerWaalsContact O-CG 3.26Å; R12-Q16 WeakPolarHBondContact O-CG 3.23Å; R12-Q16 PolarHBondContact O-N 3.43Å
13V90.4Very high78.9Confident20 Ų2064.7 Ų64.712%0.12135%0.347CS..Hα-helixtrans-66.7-40.6177.4168.30000110.9A9 Y10 D11 Q16 Q17 D29 L32A9-V13 WeakPolarHBondContact O-CG2 3.49Å; A9-V13 PolarHBondContact O-N 3.23Å; A9-V13 VanDerWaalsContact O-N 3.13Å; Y10-V13 PolarHBondContact O-N 3.46Å; D11-V13 VanDerWaalsContact C-N 3.32Å; D11-V13 PolarHBondContact O-N 3.46Å; V13-Q16 PolarHBondContact O-N 3.1Å; V13-Q17 WeakPolarHBondContact O-CB 3.41Å; V13-Q17 PolarHBondContact O-N 2.85Å; V13-D29 HydrophobicContact CG1-CB 3.45Å; V13-D29 VanDerWaalsContact CG1-CB 3.45Å; V13-L32 HydrophobicContact CB-CD2 4.05Å; V13-L32 HydrophobicContact CG1-CD2 4.19Å; V13-L32 HydrophobicContact CG2-CB 4.25Å; V13-L32 HydrophobicContact CG2-CD2 3.96Å
14L85.1Confident79.9Confident9 Ų966.1 Ų66.15%0.04735%0.354CS..Hα-helixtrans-60.6-47.9174.7177.763.6000111.2Y10 D11 Q16 Q17 I18 L86 Y89 L154Y10-L14 WeakPolarHBondContact O-CB 3.48Å; Y10-L14 PolarHBondContact O-N 2.92Å; D11-L14 WeakPolarHBondContact O-CB 3.24Å; D11-L14 PolarHBondContact O-N 3.03Å; D11-L14 VanDerWaalsContact O-N 3.16Å; L14-Q16 PolarHBondContact O-N 2.75Å; L14-Q17 WeakPolarHBondContact O-CB 3.21Å; L14-Q17 PolarHBondContact O-N 3.07Å; L14-I18 HydrophobicContact CD1-CD1 3.92Å; L14-I18 HydrophobicContact CD1-CG1 4.3Å; L14-I18 HydrophobicContact CG-CD1 3.87Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 2.89Å; L14-L86 HydrophobicContact CD1-CD1 4.44Å; L14-L86 HydrophobicContact CD1-CD2 4.14Å; L14-L86 HydrophobicContact CD2-CD2 3.6Å; L14-Y89 HydrophobicContact CD2-CD1 4.31Å; L14-Y89 HydrophobicContact CD2-CE1 4.07Å; L14-L154 HydrophobicContact CD2-CD1 4.13Å
15E83.3Confident81.3Confident106 Ų10669.5 Ų69.550%0.49536%0.357SS..Hα-helixtrans-57.5-47.4175.8-74-177.6162.800111.6D11 R12 Q17 I18 L19D11-E15 WeakPolarHBondContact O-CG 2.9Å; D11-E15 PolarHBondContact O-N 3.28Å; R12-E15 PolarHBondContact O-N 2.83Å; E15-Q17 VanDerWaalsContact C-N 3.33Å; E15-Q17 PolarHBondContact O-N 3.38Å; E15-I18 PolarHBondContact O-N 2.87Å; E15-L19 WeakPolarHBondContact O-CB 3.43Å; E15-L19 VanDerWaalsContact O-CG 3.31Å; E15-L19 WeakPolarHBondContact O-CG 3.34Å; E15-L19 PolarHBondContact O-N 3.48Å
16Q78.6Confident81.8Confident132 Ų13266.3 Ų66.362%0.61734%0.34SS*.Hα-helixtrans-62.3-39.6177-72.5173.913.200112.4R12 V13 L14 I18 G20R12-Q16 WeakPolarHBondContact O-CB 3.4Å; R12-Q16 VanDerWaalsContact O-CG 3.26Å; R12-Q16 WeakPolarHBondContact O-CG 3.23Å; R12-Q16 PolarHBondContact O-N 3.43Å; V13-Q16 PolarHBondContact O-N 3.1Å; L14-Q16 PolarHBondContact O-N 2.75Å; Q16-I18 VanDerWaalsContact C-N 3.34Å; Q16-G20 WeakPolarHBondContact O-CA 3.45Å; Q16-G20 PolarHBondContact O-N 3.39Å
17Q80.3Confident82.1Confident22 Ų2266.4 Ų66.410%0.10334%0.341CS..Hα-helixtrans-63.8-41.4176.4-170.3-172.8-91.500111.3V13 L14 E15 R21 G22 S23 R25V13-Q17 WeakPolarHBondContact O-CB 3.41Å; V13-Q17 PolarHBondContact O-N 2.85Å; L14-Q17 WeakPolarHBondContact O-CB 3.21Å; L14-Q17 PolarHBondContact O-N 3.07Å; E15-Q17 VanDerWaalsContact C-N 3.33Å; E15-Q17 PolarHBondContact O-N 3.38Å; Q17-R21 CarbonylContact O-C 3.48Å; Q17-R21 WeakPolarHBondContact O-CA 3.48Å; Q17-R21 WeakPolarHBondContact O-CB 3.32Å; Q17-R21 PolarHBondContact O-N 3.3Å; Q17-G22 PolarHBondContact O-N 2.83Å; Q17-S23 WeakPolarHBondContact CG-O 3.4Å; Q17-S23 PolarHBondContact NE2-O 3.5Å; Q17-S23 PolarHBondContact NE2-OG 3.38Å; Q17-S23 PolarHBondContact O-N 3.27Å; Q17-R25 PolarHBondContact NE2-O 3.46Å
18I72.5Confident82.1Confident36 Ų3669.5 Ų69.519%0.18535%0.354CS..Hα-helixtrans-68.2-50179-67.5167.3000110.2L14 E15 Q16 G22 L90 L409L14-I18 HydrophobicContact CD1-CD1 3.92Å; L14-I18 HydrophobicContact CD1-CG1 4.3Å; L14-I18 HydrophobicContact CG-CD1 3.87Å; L14-I18 VanDerWaalsContact O-CG1 3.25Å; L14-I18 WeakPolarHBondContact O-CG1 3.45Å; L14-I18 PolarHBondContact O-N 2.89Å; E15-I18 PolarHBondContact O-N 2.87Å; Q16-I18 VanDerWaalsContact C-N 3.34Å; I18-G22 WeakPolarHBondContact O-CA 3.26Å; I18-G22 PolarHBondContact O-N 3.2Å; I18-L90 HydrophobicContact CD1-CD1 4.13Å; I18-L90 HydrophobicContact CD1-CD2 4.03Å; I18-L409 HydrophobicContact CG2-CD1 4.31Å
19L68.5Low82.4Confident149 Ų14967.1 Ų67.178%0.7835%0.345SS*.Hα-helixtrans-71.8-42.2-176.2-66.4175.3000112.7E15E15-L19 WeakPolarHBondContact O-CB 3.43Å; E15-L19 VanDerWaalsContact O-CG 3.31Å; E15-L19 WeakPolarHBondContact O-CG 3.34Å; E15-L19 PolarHBondContact O-N 3.48Å
20G65.7Low82.5Confident66 Ų6671.1 Ų71.168%0.6836%0.36SS*.Hα-helixtrans-85.1-32.8-174.800000114.1Q16Q16-G20 WeakPolarHBondContact O-CA 3.45Å; Q16-G20 PolarHBondContact O-N 3.39Å
21R69.5Low82.5Confident213 Ų21374.4 Ų74.480%0.80439%0.387SS*.Hα-helixtrans-120.8-5.6-172.7-53.7-176-178-142.63114Q17 S23Q17-R21 CarbonylContact O-C 3.48Å; Q17-R21 WeakPolarHBondContact O-CA 3.48Å; Q17-R21 WeakPolarHBondContact O-CB 3.32Å; Q17-R21 PolarHBondContact O-N 3.3Å; R21-S23 PolarHBondContact O-N 3Å
22G67.7Low82.7Confident54 Ų5472.9 Ų72.956%0.55738%0.379SS*.  trans63.123.2-176.200000113.5Q17 I18Q17-G22 PolarHBondContact O-N 2.83Å; I18-G22 WeakPolarHBondContact O-CA 3.26Å; I18-G22 PolarHBondContact O-N 3.2Å
23S69.8Low83Confident32 Ų3268.4 Ų68.422%0.22436%0.362CS..  trans-110.6124.5-174.1168.50000111.4Q17 R21 R25Q17-S23 WeakPolarHBondContact CG-O 3.4Å; Q17-S23 PolarHBondContact NE2-O 3.5Å; Q17-S23 PolarHBondContact NE2-OG 3.38Å; Q17-S23 PolarHBondContact O-N 3.27Å; R21-S23 PolarHBondContact O-N 3Å; S23-R25 PolarHBondContact OG-N 3.32Å
24C80.4Confident83.2Confident43 Ų4371.2 Ų71.229%0.29138%0.383SS..  trans-103.425.6172.9-55.40000112Q83 L90C24-Q83 PolarHBondContact O-NE2 3.2Å; C24-L90 HydrophobicContact CB-CD1 3.65Å
25R89.4Confident83.6Confident164 Ų16475.2 Ų75.262%0.61940%0.401SS*.SBendtrans-79.8157.8-178.9-61.7-172.971.9-174.2-0.7111.4Q17 S23Q17-R25 PolarHBondContact NE2-O 3.46Å; S23-R25 PolarHBondContact OG-N 3.32Å
26A92.2Very high84.1Confident2 Ų270.3 Ų70.32%0.01738%0.379CS..SBendtrans-43.8141166.500000110.7Q28 E79 E82 Q83A26-Q28 WeakPolarHBondContact O-CG 3.06Å; A26-Q28 PolarHBondContact O-N 3.29Å; A26-Q28 PolarHBondContact O-NE2 3.09Å; A26-E79 HydrophobicContact CB-CG 3.87Å; A26-E82 HydrophobicContact CB-CB 4.26Å; A26-E82 HydrophobicContact CB-CG 3.93Å; A26-Q83 HydrophobicContact CB-CB 4.48Å
27C91.9Very high84.9Confident7 Ų766 Ų665%0.04736%0.359CS..  trans-58.7127.2-165.8-177.40000111.5Y10 E82 F161 R164Y10-C27 HydrophobicContact CD2-CB 4.44Å; Y10-C27 HydrophobicContact CE2-CB 3.63Å; C27-E82 WeakPolarHBondContact CB-OE1 3.22Å; C27-E82 PolarHBondContact N-OE1 3.47Å; C27-F161 HydrophobicContact CB-CD2 3.89Å; C27-F161 HydrophobicContact CB-CE2 3.99Å; C27-R164 PolarHBondContact O-NH2 2.8Å
28Q90.3Very high85.5Confident85 Ų8566.8 Ų66.840%0.39737%0.373SS..  trans-118.719.1174.8-55.1-61.4-22.200111.3A26 E30 E79A26-Q28 WeakPolarHBondContact O-CG 3.06Å; A26-Q28 PolarHBondContact O-N 3.29Å; A26-Q28 PolarHBondContact O-NE2 3.09Å; Q28-E30 PolarHBondContact O-N 3.44Å; Q28-E79 PolarHBondContact NE2-OE1 3.39Å
29D93Very high86.5Confident52 Ų5266.6 Ų66.628%0.27837%0.372SS..  trans-75.3115.3179.7-169.3-91.1000110.6V13 A31 L32 R33V13-D29 HydrophobicContact CG1-CB 3.45Å; V13-D29 VanDerWaalsContact CG1-CB 3.45Å; D29-A31 WeakPolarHBondContact OD1-CB 3.35Å; D29-A31 PolarHBondContact OD1-N 2.71Å; D29-A31 VanDerWaalsContact OD1-N 3.16Å; D29-L32 HydrophobicContact CB-CB 4.2Å; D29-L32 WeakPolarHBondContact OD1-CB 3.37Å; D29-L32 PolarHBondContact OD1-N 3.16Å; D29-R33 WeakPolarHBondContact O-CB 3.45Å; D29-R33 PolarHBondContact O-N 3.03Å; D29-R33 VanDerWaalsContact O-N 3.08Å
30E92.8Very high87.7Confident106 Ų10659.5 Ų59.550%0.49534%0.335SS..Hα-helixtrans-70.4-32.6-176.1-63.6-68.9131.800112.1Q28 R33 S34Q28-E30 PolarHBondContact O-N 3.44Å; E30-R33 IonicContact OE1-CZ 3.36Å; E30-R33 IonicContact OE1-NH1 2.67Å; E30-R33 PolarHBondContact OE1-NH1 3.37Å; E30-R33 IonicContact OE1-NH2 2.86Å; E30-R33 IonicContact OE2-CZ 3.08Å; E30-R33 IonicContact OE2-NH1 2.73Å; E30-R33 PolarHBondContact OE2-NH1 3.42Å; E30-R33 VanDerWaalsContact OE2-NH1 3.08Å; E30-R33 IonicContact OE2-NH2 3.83Å; E30-R33 PolarHBondContact OE2-NH2 3.15Å; E30-S34 WeakPolarHBondContact O-CB 3.22Å; E30-S34 PolarHBondContact O-N 2.93Å
31A93.4Very high89Confident71 Ų7157.7 Ų57.759%0.58731%0.313SS*.Hα-helixtrans-70.6-49.8-178.900000110.5D29 R33 S34 E35D29-A31 WeakPolarHBondContact OD1-CB 3.35Å; D29-A31 PolarHBondContact OD1-N 2.71Å; D29-A31 VanDerWaalsContact OD1-N 3.16Å; A31-R33 VanDerWaalsContact C-N 3.3Å; A31-R33 PolarHBondContact O-N 2.84Å; A31-S34 PolarHBondContact O-N 3.37Å; A31-E35 WeakPolarHBondContact O-CB 3.38Å; A31-E35 PolarHBondContact O-N 3.13Å
32L94.1Very high90.1Very high7 Ų751.7 Ų51.74%0.03730%0.3CS..Hα-helixtrans-60.4-41.5174.6-17964.6000111.1A9 Y10 V13 D29 E35 V36 F161A9-L32 HydrophobicContact CB-CD1 4.05Å; Y10-L32 HydrophobicContact CD2-CD2 4.17Å; V13-L32 HydrophobicContact CB-CD2 4.05Å; V13-L32 HydrophobicContact CG1-CD2 4.19Å; V13-L32 HydrophobicContact CG2-CB 4.25Å; V13-L32 HydrophobicContact CG2-CD2 3.96Å; D29-L32 HydrophobicContact CB-CB 4.2Å; D29-L32 WeakPolarHBondContact OD1-CB 3.37Å; D29-L32 PolarHBondContact OD1-N 3.16Å; L32-E35 PolarHBondContact O-N 3.35Å; L32-V36 HydrophobicContact CD1-CG2 4.31Å; L32-V36 WeakPolarHBondContact O-CB 3.37Å; L32-V36 WeakPolarHBondContact O-CG2 3.09Å; L32-V36 PolarHBondContact O-N 3.34Å; L32-F161 HydrophobicContact CD2-CE1 3.96Å; L32-F161 HydrophobicContact CD2-CZ 4.04Å; L32-F161 HydrophobicContact CG-CE1 4.02Å; L32-F161 HydrophobicContact CG-CZ 4.02Å
33R95.1Very high91.1Very high60 Ų6050.6 Ų50.623%0.22628%0.284CS..Hα-helixtrans-59.7-49.4176.1-170.9-178.579.2-137.3-4.9111.4D29 E30 A31 E35 V36 E37 F161D29-R33 WeakPolarHBondContact O-CB 3.45Å; D29-R33 PolarHBondContact O-N 3.03Å; D29-R33 VanDerWaalsContact O-N 3.08Å; E30-R33 IonicContact OE1-CZ 3.36Å; E30-R33 IonicContact OE1-NH1 2.67Å; E30-R33 PolarHBondContact OE1-NH1 3.37Å; E30-R33 IonicContact OE1-NH2 2.86Å; E30-R33 IonicContact OE2-CZ 3.08Å; E30-R33 IonicContact OE2-NH1 2.73Å; E30-R33 PolarHBondContact OE2-NH1 3.42Å; E30-R33 VanDerWaalsContact OE2-NH1 3.08Å; E30-R33 IonicContact OE2-NH2 3.83Å; E30-R33 PolarHBondContact OE2-NH2 3.15Å; A31-R33 VanDerWaalsContact C-N 3.3Å; A31-R33 PolarHBondContact O-N 2.84Å; R33-E35 VanDerWaalsContact C-N 3.31Å; R33-E35 PolarHBondContact O-N 3.44Å; R33-V36 PolarHBondContact O-N 2.88Å; R33-E37 WeakPolarHBondContact CD-OE1 3.12Å; R33-E37 HydrophobicContact CG-CG 4.3Å; R33-E37 WeakPolarHBondContact CG-OE1 3.31Å; R33-E37 IonicContact NE-OE1 3.33Å; R33-E37 WeakPolarHBondContact O-CB 3.24Å; R33-E37 WeakPolarHBondContact O-CG 3.32Å; R33-E37 PolarHBondContact O-N 3.42Å; R33-F161 HydrophobicContact CB-CZ 4.45Å
34S93.9Very high91.9Very high80 Ų8051.5 Ų51.556%0.55929%0.287SS*.Hα-helixtrans-62.2-39-179.8-173.70000112.2E30 A31 G38E30-S34 WeakPolarHBondContact O-CB 3.22Å; E30-S34 PolarHBondContact O-N 2.93Å; A31-S34 PolarHBondContact O-N 3.37Å; S34-G38 PolarHBondContact O-N 3.46Å
35E93.4Very high92Very high92 Ų9249.5 Ų49.543%0.4327%0.273SS..Hα-helixtrans-63.9-47.3176.4-177.3176.5-177.400111.1M1 A31 L32 R33 G38 L39M1-E35 HydrophobicContact CE-CG 4.08Å; M1-E35 WeakPolarHBondContact CE-OE1 3.41Å; A31-E35 WeakPolarHBondContact O-CB 3.38Å; A31-E35 PolarHBondContact O-N 3.13Å; L32-E35 PolarHBondContact O-N 3.35Å; R33-E35 VanDerWaalsContact C-N 3.31Å; R33-E35 PolarHBondContact O-N 3.44Å; E35-G38 PolarHBondContact O-N 3.31Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.07Å
36V94.3Very high91.8Very high3 Ų348.8 Ų48.82%0.01827%0.27CS..Hα-helixtrans-63.7-44.9177.9163.20000112.2L6 L32 R33 G38 L39 L40 F161 L162 C165L6-V36 HydrophobicContact CD2-CG2 3.84Å; L32-V36 HydrophobicContact CD1-CG2 4.31Å; L32-V36 WeakPolarHBondContact O-CB 3.37Å; L32-V36 WeakPolarHBondContact O-CG2 3.09Å; L32-V36 PolarHBondContact O-N 3.34Å; R33-V36 PolarHBondContact O-N 2.88Å; V36-G38 VanDerWaalsContact C-N 3.28Å; V36-G38 PolarHBondContact O-N 3.29Å; V36-L39 PolarHBondContact O-N 3.45Å; V36-L40 HydrophobicContact CG1-CD1 3.7Å; V36-L40 HydrophobicContact CG1-CG 4.21Å; V36-L40 WeakPolarHBondContact O-CB 3.3Å; V36-L40 WeakPolarHBondContact O-CG 3.2Å; V36-L40 PolarHBondContact O-N 2.92Å; V36-F161 HydrophobicContact CB-CE1 4.45Å; V36-F161 HydrophobicContact CG2-CE1 4.02Å; V36-L162 HydrophobicContact CB-CD2 4.4Å; V36-L162 HydrophobicContact CG1-CD2 3.39Å; V36-L162 HydrophobicContact CG2-CD2 4.07Å; V36-C165 HydrophobicContact CG1-CB 3.9Å
37E94.6Very high91.3Very high42 Ų4255.7 Ų55.720%0.19630%0.302CS..Hα-helixtrans-60.5-39.4176.3-75.9174177.600111.1R33 L40 A41 C165 L169R33-E37 WeakPolarHBondContact CD-OE1 3.12Å; R33-E37 HydrophobicContact CG-CG 4.3Å; R33-E37 WeakPolarHBondContact CG-OE1 3.31Å; R33-E37 IonicContact NE-OE1 3.33Å; R33-E37 WeakPolarHBondContact O-CB 3.24Å; R33-E37 WeakPolarHBondContact O-CG 3.32Å; R33-E37 PolarHBondContact O-N 3.42Å; E37-L40 PolarHBondContact O-N 3.19Å; E37-A41 WeakPolarHBondContact O-CB 3.29Å; E37-A41 PolarHBondContact O-N 3.47Å; E37-C165 HydrophobicContact CG-CB 4.22Å; E37-L169 HydrophobicContact CB-CD1 4.31Å
38G93.4Very high91Very high39 Ų3955.8 Ų55.840%0.40230%0.302SS..Hα-helixtrans-60.2-44.8172.900000112.9S34 E35 V36 A41 T42S34-G38 PolarHBondContact O-N 3.46Å; E35-G38 PolarHBondContact O-N 3.31Å; V36-G38 VanDerWaalsContact C-N 3.28Å; V36-G38 PolarHBondContact O-N 3.29Å; G38-A41 PolarHBondContact O-N 3.36Å; G38-T42 PolarHBondContact O-N 3Å; G38-T42 PolarHBondContact O-OG1 3.06Å
39L92.9Very high90.9Very high31 Ų3152.1 Ų52.116%0.16229%0.285CS..Hα-helixtrans-65.1-45.6176-67.8172.9000112.5M1 L6 E35 V36 A41 T42 S43 L48M1-L39 HydrophobicContact CB-CD1 4.21Å; M1-L39 HydrophobicContact CE-CD1 3.57Å; M1-L39 HydrophobicContact CE-CD2 4.02Å; M1-L39 HydrophobicContact CE-CG 4.17Å; M1-L39 HydrophobicContact SD-CD1 4.19Å; L6-L39 HydrophobicContact CD2-CD1 3.85Å; E35-L39 WeakPolarHBondContact O-CG 3.48Å; E35-L39 PolarHBondContact O-N 3.07Å; V36-L39 PolarHBondContact O-N 3.45Å; L39-A41 PolarHBondContact O-N 3.35Å; L39-T42 PolarHBondContact O-N 2.74Å; L39-T42 PolarHBondContact O-OG1 3.26Å; L39-S43 WeakPolarHBondContact O-CB 3.29Å; L39-S43 PolarHBondContact O-N 3.45Å; L39-S43 PolarHBondContact O-OG 3.46Å; L39-L48 HydrophobicContact CB-CD1 4.33Å
40L93.4Very high90.4Very high1 Ų152.3 Ų52.31%0.00530%0.299CS..Hα-helixtrans-62.1-34.6179.3-74.3169.3000111.4V36 E37 L48 C165 E166 L169 R190V36-L40 HydrophobicContact CG1-CD1 3.7Å; V36-L40 HydrophobicContact CG1-CG 4.21Å; V36-L40 WeakPolarHBondContact O-CB 3.3Å; V36-L40 WeakPolarHBondContact O-CG 3.2Å; V36-L40 PolarHBondContact O-N 2.92Å; E37-L40 PolarHBondContact O-N 3.19Å; L40-L48 HydrophobicContact CD2-CB 4.1Å; L40-L48 HydrophobicContact CD2-CD1 3.78Å; L40-L48 HydrophobicContact CG-CD1 4.31Å; L40-C165 HydrophobicContact CD1-CB 3.94Å; L40-E166 HydrophobicContact CD1-CB 4.34Å; L40-E166 WeakPolarHBondContact CD2-OE2 3.36Å; L40-L169 HydrophobicContact CB-CD2 3.6Å; L40-R190 PolarHBondContact O-NH1 3.5Å; L40-R190 PolarHBondContact O-NH2 2.91Å
41A94Very high90Very high27 Ų2748 Ų4822%0.22328%0.279CS..Hα-helixtrans-66.1-39.8178.500000112.7E37 G38 L39 L169 L196E37-A41 WeakPolarHBondContact O-CB 3.29Å; E37-A41 PolarHBondContact O-N 3.47Å; G38-A41 PolarHBondContact O-N 3.36Å; L39-A41 PolarHBondContact O-N 3.35Å; A41-L169 HydrophobicContact CB-CD1 4.46Å; A41-L169 HydrophobicContact CB-CD2 4.26Å; A41-L196 HydrophobicContact CB-CB 4.32Å; A41-L196 HydrophobicContact CB-CD2 3.94Å; A41-L196 PolarHBondContact O-N 3.21Å
42T91.8Very high89.6Confident87 Ų8747.3 Ų47.353%0.53428%0.28SS..Hα-helixtrans-97.7-19.1-171.860.30000114.8G38 L39 R195G38-T42 PolarHBondContact O-N 3Å; G38-T42 PolarHBondContact O-OG1 3.06Å; L39-T42 PolarHBondContact O-N 2.74Å; L39-T42 PolarHBondContact O-OG1 3.26Å; T42-R195 VanDerWaalsContact O-CD 3.26Å; T42-R195 WeakPolarHBondContact O-CD 3.22Å; T42-R195 PolarHBondContact O-NE 3.41Å; T42-R195 VanDerWaalsContact O-NE 3.12Å
43S88.2Confident89.4Confident31 Ų3147.4 Ų47.422%0.21728%0.28CS..SBendtrans-102.8167.2-171.5-43.50000112.4L39 P45L39-S43 WeakPolarHBondContact O-CB 3.29Å; L39-S43 PolarHBondContact O-N 3.45Å; L39-S43 PolarHBondContact O-OG 3.46Å; S43-P45 WeakPolarHBondContact O-CD 3.16Å
44D87.3Confident89.3Confident52 Ų5250.3 Ų50.328%0.27830%0.296SS..  trans-68.6120.4166.7-177.1-19.4000108.6R46 E47 G193D44-R46 PolarHBondContact O-N 3.16Å; D44-R46 VanDerWaalsContact OD1-CB 3.29Å; D44-R46 WeakPolarHBondContact OD1-CB 3.36Å; D44-R46 WeakPolarHBondContact OD1-CG 3.35Å; D44-R46 PolarHBondContact OD1-N 3.46Å; D44-E47 HydrophobicContact CB-CG 4.21Å; D44-E47 PolarHBondContact O-N 2.87Å; D44-G193 WeakPolarHBondContact OD1-CA 3.36Å
45P83.8Confident89.3Confident0 Ų046.6 Ų46.60%027%0.27CS..Hα-helixtrans-63.3-24.8-178.524.6-33000113.5S43 E47 L48 H49 L56 R190S43-P45 WeakPolarHBondContact O-CD 3.16Å; P45-E47 VanDerWaalsContact C-N 3.27Å; P45-E47 PolarHBondContact O-N 3.23Å; P45-L48 PolarHBondContact O-N 3.46Å; P45-H49 WeakPolarHBondContact O-CB 3.45Å; P45-H49 PolarHBondContact O-CD2 3.24Å; P45-H49 PolarHBondContact O-N 2.72Å; P45-L56 HydrophobicContact CB-CD1 3.65Å; P45-L56 HydrophobicContact CG-CD1 3.79Å; P45-R190 WeakPolarHBondContact CG-O 3.5Å
46R83.6Confident89.5Confident149 Ų14942.7 Ų42.756%0.56225%0.252SS*.Hα-helixtrans-65.4-32.9179.3-62.7172.5174.3-161.8-0.4112D44 R191 Q192D44-R46 PolarHBondContact O-N 3.16Å; D44-R46 VanDerWaalsContact OD1-CB 3.29Å; D44-R46 WeakPolarHBondContact OD1-CB 3.36Å; D44-R46 WeakPolarHBondContact OD1-CG 3.35Å; D44-R46 PolarHBondContact OD1-N 3.46Å; R46-R191 PolarHBondContact NE-O 2.93Å; R46-R191 PolarHBondContact NH2-O 3.13Å; R46-Q192 VanDerWaalsContact NH2-CA 3.3Å
47E82.9Confident89.5Confident148 Ų14845.7 Ų45.769%0.69226%0.263SS*.Hα-helixtrans-73.7-37.1178-62.5-174.1166.300111.9D44 P45D44-E47 HydrophobicContact CB-CG 4.21Å; D44-E47 PolarHBondContact O-N 2.87Å; P45-E47 VanDerWaalsContact C-N 3.27Å; P45-E47 PolarHBondContact O-N 3.23Å
48L85.4Confident89.6Confident9 Ų943.9 Ų43.95%0.04726%0.255CS..Hα-helixtrans-78.6-34.2-177.5-74.5165.8000112.5L6 L39 L40 P45 G50 L162L6-L48 HydrophobicContact CD1-CD2 3.49Å; L6-L48 VanDerWaalsContact CD1-CD2 3.49Å; L39-L48 HydrophobicContact CB-CD1 4.33Å; L40-L48 HydrophobicContact CD2-CB 4.1Å; L40-L48 HydrophobicContact CD2-CD1 3.78Å; L40-L48 HydrophobicContact CG-CD1 4.31Å; P45-L48 PolarHBondContact O-N 3.46Å; L48-G50 VanDerWaalsContact C-N 3.33Å; L48-G50 PolarHBondContact O-N 2.83Å; L48-L162 WeakPolarHBondContact O-CD1 3.33Å
49H87.8Confident89.8Confident8 Ų842 Ų424%0.03724%0.236CC..SBendtrans-840.5-177.7-70.2-51.7000115P45 L51 L53 P55 E166P45-H49 WeakPolarHBondContact O-CB 3.45Å; P45-H49 PolarHBondContact O-CD2 3.24Å; P45-H49 PolarHBondContact O-N 2.72Å; H49-L51 PolarHBondContact O-N 3.27Å; H49-L53 VanDerWaalsContact O-O 3.05Å; H49-P55 HydrophobicContact CB-CG 3.72Å; H49-P55 WeakPolarHBondContact ND1-CG 3.42Å; H49-E166 IonicContact NE2-OE2 3.38Å
50G82.9Confident90Very high55 Ų5541.6 Ų41.657%0.56723%0.233SC*.THydrogen-bonded Turntrans-69.348.1-179.600000115.8L48L48-G50 VanDerWaalsContact C-N 3.33Å; L48-G50 PolarHBondContact O-N 2.83Å
51L84.9Confident90.1Very high15 Ų1544.5 Ų44.58%0.07925%0.246CC..THydrogen-bonded Turntrans-115.224.3-177.4-63.1-177000113V7 H49 C158 A159 L162V7-L51 HydrophobicContact CG2-CD1 3.87Å; V7-L51 HydrophobicContact CG2-CD2 3.8Å; H49-L51 PolarHBondContact O-N 3.27Å; L51-C158 HydrophobicContact CD1-CB 4.23Å; L51-A159 HydrophobicContact CB-CB 3.72Å; L51-L162 HydrophobicContact CD1-CD1 3.68Å
52G83.7Confident90.2Very high58 Ų5843.2 Ų43.260%0.59824%0.236SC*.THydrogen-bonded Turntrans89.49.2177.300000115.1
53L90.3Very high90.4Very high9 Ų939.1 Ų39.15%0.04721%0.211CC..  trans-126.1141.6169.6176.167.5000107.9H49 P55 F78 L126 A159 F160 A163H49-L53 VanDerWaalsContact O-O 3.05Å; L53-P55 HydrophobicContact CD2-CB 4Å; L53-P55 HydrophobicContact CG-CB 4.19Å; L53-P55 WeakPolarHBondContact O-CD 3.24Å; L53-F78 HydrophobicContact CD2-CE1 4.24Å; L53-L126 HydrophobicContact CD1-CD1 3.84Å; L53-A159 HydrophobicContact CB-CB 3.98Å; L53-A159 HydrophobicContact CD2-CB 4.41Å; L53-F160 HydrophobicContact CD1-CE1 4.1Å; L53-F160 HydrophobicContact CD2-CD1 3.59Å; L53-F160 HydrophobicContact CD2-CE1 3.75Å; L53-F160 HydrophobicContact CG-CE1 4.48Å; L53-A163 HydrophobicContact CD2-CB 4.07Å
54E93Very high90.6Very high120 Ų12041.7 Ų41.756%0.56122%0.219SC*.  trans-105.175.5170.4-70.2-63.2133.900109.5L56 R57 L58E54-L56 PolarHBondContact O-N 3.45Å; E54-R57 HydrophobicContact CB-CB 4.02Å; E54-R57 WeakPolarHBondContact O-CB 3.37Å; E54-R57 PolarHBondContact O-N 3.08Å; E54-L58 PolarHBondContact O-N 2.91Å; E54-L58 VanDerWaalsContact O-N 3.15Å
55P94.8Very high90.9Very high2 Ų242.6 Ų42.61%0.01323%0.234CC..Hα-helixtrans-67.8-39-165.726.2-34.2000112.6H49 L53 R57 L58 M59 A163H49-P55 HydrophobicContact CB-CG 3.72Å; H49-P55 WeakPolarHBondContact ND1-CG 3.42Å; L53-P55 HydrophobicContact CD2-CB 4Å; L53-P55 HydrophobicContact CG-CB 4.19Å; L53-P55 WeakPolarHBondContact O-CD 3.24Å; P55-R57 VanDerWaalsContact C-N 3.33Å; P55-R57 PolarHBondContact O-N 3.24Å; P55-L58 PolarHBondContact O-N 2.89Å; P55-M59 HydrophobicContact CB-CE 3.88Å; P55-M59 WeakPolarHBondContact O-CB 3.36Å; P55-M59 WeakPolarHBondContact O-CG 3.42Å; P55-M59 PolarHBondContact O-N 2.77Å; P55-A163 HydrophobicContact CB-CB 3.59Å; P55-A163 HydrophobicContact CG-CB 4.36Å
56L95.9Very high91.2Very high11 Ų1147.1 Ų47.16%0.05825%0.251CS..Hα-helixtrans-66.1-36.1179.3-68.3174.9000112.3P45 E54 M59 E60 E166 R190 R191P45-L56 HydrophobicContact CB-CD1 3.65Å; P45-L56 HydrophobicContact CG-CD1 3.79Å; E54-L56 PolarHBondContact O-N 3.45Å; L56-M59 HydrophobicContact CD2-SD 4.11Å; L56-M59 PolarHBondContact O-N 2.83Å; L56-E60 WeakPolarHBondContact O-CB 3.48Å; L56-E60 PolarHBondContact O-N 2.92Å; L56-E166 HydrophobicContact CD2-CG 3.97Å; L56-R190 HydrophobicContact CD1-CB 4.08Å; L56-R190 HydrophobicContact CD2-CB 3.96Å; L56-R191 HydrophobicContact CB-CB 4.18Å; L56-R191 HydrophobicContact CB-CG 4.44Å
57R96.1Very high91.4Very high66 Ų6643.3 Ų43.325%0.24925%0.246CC..Hα-helixtrans-62.3-48.6173.5-163.8-152.890.2-154.9-4.5110.4E54 P55 E60 E61 E122E54-R57 HydrophobicContact CB-CB 4.02Å; E54-R57 WeakPolarHBondContact O-CB 3.37Å; E54-R57 PolarHBondContact O-N 3.08Å; P55-R57 VanDerWaalsContact C-N 3.33Å; P55-R57 PolarHBondContact O-N 3.24Å; R57-E60 PolarHBondContact O-N 3.25Å; R57-E61 IonicContact CZ-OE1 3.94Å; R57-E61 IonicContact CZ-OE2 3.29Å; R57-E61 IonicContact NE-OE1 3.58Å; R57-E61 PolarHBondContact NE-OE1 2.95Å; R57-E61 IonicContact NE-OE2 2.71Å; R57-E61 IonicContact NH2-OE1 2.9Å; R57-E61 PolarHBondContact NH2-OE1 3.27Å; R57-E61 IonicContact NH2-OE2 2.92Å; R57-E61 PolarHBondContact NH2-OE2 2.84Å; R57-E61 WeakPolarHBondContact O-CG 3.03Å; R57-E61 PolarHBondContact O-N 3.19Å; R57-E122 IonicContact CZ-OE1 3.22Å; R57-E122 VanDerWaalsContact CZ-OE1 3.25Å; R57-E122 IonicContact NH1-OE1 3.79Å; R57-E122 PolarHBondContact NH1-OE1 3.3Å; R57-E122 IonicContact NH2-OE1 3.33Å; R57-E122 PolarHBondContact NH2-OE1 3.22Å; R57-E122 IonicContact NH2-OE2 3.93Å; R57-E122 PolarHBondContact NH2-OE2 2.84Å
58L96.4Very high91.5Very high4 Ų441.8 Ų41.82%0.02125%0.251CS..Hα-helixtrans-64-42.4178.3177.965.4000112.1E54 P55 E61 V62 F78 Q119 V123E54-L58 PolarHBondContact O-N 2.91Å; E54-L58 VanDerWaalsContact O-N 3.15Å; P55-L58 PolarHBondContact O-N 2.89Å; L58-E61 PolarHBondContact O-N 3.01Å; L58-V62 HydrophobicContact CD1-CG2 4.03Å; L58-V62 HydrophobicContact CG-CG2 4.37Å; L58-V62 WeakPolarHBondContact O-CB 3.28Å; L58-V62 VanDerWaalsContact O-CG2 3.23Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 2.76Å; L58-F78 HydrophobicContact CD2-CE1 3.83Å; L58-F78 HydrophobicContact CD2-CZ 3.95Å; L58-Q119 HydrophobicContact CD1-CB 4.34Å; L58-Q119 HydrophobicContact CD1-CG 4.17Å; L58-V123 HydrophobicContact CD1-CG2 4.16Å; L58-V123 HydrophobicContact CD2-CG2 3.55Å
59M96.9Very high91.6Very high0 Ų042.1 Ų42.10%025%0.254CS..Hα-helixtrans-60.3-45.3177-70.9170.8-16000111P55 L56 V62 L63 L71 L74 F78 A163 E166 C167 V187P55-M59 HydrophobicContact CB-CE 3.88Å; P55-M59 WeakPolarHBondContact O-CB 3.36Å; P55-M59 WeakPolarHBondContact O-CG 3.42Å; P55-M59 PolarHBondContact O-N 2.77Å; L56-M59 HydrophobicContact CD2-SD 4.11Å; L56-M59 PolarHBondContact O-N 2.83Å; M59-V62 PolarHBondContact O-N 3.06Å; M59-L63 VanDerWaalsContact O-CB 3.32Å; M59-L63 WeakPolarHBondContact O-CB 3.09Å; M59-L63 WeakPolarHBondContact O-CG 3.44Å; M59-L63 PolarHBondContact O-N 2.63Å; M59-L71 HydrophobicContact SD-CD2 4.29Å; M59-L74 HydrophobicContact CB-CD1 4.22Å; M59-L74 HydrophobicContact CG-CD1 4.11Å; M59-F78 HydrophobicContact CE-CD2 4.39Å; M59-F78 HydrophobicContact CE-CE2 3.55Å; M59-F78 HydrophobicContact CE-CZ 4.11Å; M59-F78 HydrophobicContact CG-CE2 4.16Å; M59-F78 HydrophobicContact CG-CZ 4.39Å; M59-A163 HydrophobicContact CE-CB 4.11Å; M59-A163 WeakPolarHBondContact CE-O 3.47Å; M59-E166 HydrophobicContact CE-CB 4.22Å; M59-E166 HydrophobicContact CE-CG 4.23Å; M59-E166 HydrophobicContact SD-CG 4.49Å; M59-C167 VanDerWaalsContact CE-SG 3.54Å; M59-V187 HydrophobicContact CB-CG1 3.84Å; M59-V187 HydrophobicContact CB-CG2 4.33Å
60E96.8Very high91.8Very high22 Ų2242.2 Ų42.210%0.10326%0.257CS..Hα-helixtrans-59.6-53.2176.6-174.2178.3157.200111.1L56 R57 V62 L63 E64 L184 V187 R188 R191L56-E60 WeakPolarHBondContact O-CB 3.48Å; L56-E60 PolarHBondContact O-N 2.92Å; R57-E60 PolarHBondContact O-N 3.25Å; E60-V62 VanDerWaalsContact C-N 3.29Å; E60-V62 PolarHBondContact O-N 2.74Å; E60-L63 PolarHBondContact O-N 3.36Å; E60-E64 HydrophobicContact CG-CG 4.45Å; E60-E64 WeakPolarHBondContact O-CB 3.27Å; E60-E64 VanDerWaalsContact O-CG 3.3Å; E60-E64 WeakPolarHBondContact O-CG 3.44Å; E60-E64 PolarHBondContact O-N 3.19Å; E60-L184 HydrophobicContact CG-CD1 3.9Å; E60-V187 HydrophobicContact CB-CG1 3.97Å; E60-R188 HydrophobicContact CG-CG 3.98Å; E60-R188 IonicContact OE1-NE 3.27Å; E60-R191 IonicContact OE1-NH1 3.77Å; E60-R191 PolarHBondContact OE1-NH1 2.96Å; E60-R191 WeakPolarHBondContact OE2-CD 3.3Å; E60-R191 IonicContact OE2-CZ 3.83Å; E60-R191 IonicContact OE2-NE 2.84Å; E60-R191 IonicContact OE2-NH1 3.63Å; E60-R191 PolarHBondContact OE2-NH1 3.45Å
61E96Very high92.4Very high61 Ų6139.6 Ų39.629%0.28523%0.23SC..Hα-helixtrans-57.5-41.1179.4-72.4166.8-172.700112.3R57 L58 A65R57-E61 IonicContact CZ-OE1 3.94Å; R57-E61 IonicContact CZ-OE2 3.29Å; R57-E61 IonicContact NE-OE1 3.58Å; R57-E61 PolarHBondContact NE-OE1 2.95Å; R57-E61 IonicContact NE-OE2 2.71Å; R57-E61 IonicContact NH2-OE1 2.9Å; R57-E61 PolarHBondContact NH2-OE1 3.27Å; R57-E61 IonicContact NH2-OE2 2.92Å; R57-E61 PolarHBondContact NH2-OE2 2.84Å; R57-E61 WeakPolarHBondContact O-CG 3.03Å; R57-E61 PolarHBondContact O-N 3.19Å; L58-E61 PolarHBondContact O-N 3.01Å; E61-A65 VanDerWaalsContact O-CB 3.25Å; E61-A65 WeakPolarHBondContact O-CB 3.05Å; E61-A65 PolarHBondContact O-N 2.87Å
62V95.9Very high92.9Very high0 Ų041.9 Ų41.90%025%0.246CC..Hα-helixtrans-69.4-44.8178.1169.20000111.5L58 M59 E60 E64 A65 R66 L74 V114 L115L58-V62 HydrophobicContact CD1-CG2 4.03Å; L58-V62 HydrophobicContact CG-CG2 4.37Å; L58-V62 WeakPolarHBondContact O-CB 3.28Å; L58-V62 VanDerWaalsContact O-CG2 3.23Å; L58-V62 WeakPolarHBondContact O-CG2 3.47Å; L58-V62 PolarHBondContact O-N 2.76Å; M59-V62 PolarHBondContact O-N 3.06Å; E60-V62 VanDerWaalsContact C-N 3.29Å; E60-V62 PolarHBondContact O-N 2.74Å; V62-E64 VanDerWaalsContact C-N 3.33Å; V62-A65 PolarHBondContact O-N 2.87Å; V62-R66 CarbonylContact O-C 3.54Å; V62-R66 WeakPolarHBondContact O-CA 3.34Å; V62-R66 PolarHBondContact O-N 2.76Å; V62-L74 HydrophobicContact CB-CD1 4.36Å; V62-L74 HydrophobicContact CB-CD2 4.13Å; V62-L74 HydrophobicContact CG1-CD1 4.09Å; V62-L74 HydrophobicContact CG1-CD2 3.93Å; V62-L74 HydrophobicContact CG1-CG 4.11Å; V62-L74 HydrophobicContact CG2-CD2 4.18Å; V62-V114 HydrophobicContact CG1-CG1 3.85Å; V62-V114 WeakPolarHBondContact CG1-O 3.41Å; V62-L115 HydrophobicContact CG2-CD2 3.75Å
63L95.1Very high93.4Very high2 Ų239.8 Ų39.81%0.0123%0.225CC..Hα-helixtrans-69.1-33.1-179.1-70.9172.1000111.9M59 E60 P67 L71 L74 E183 L184 V187M59-L63 VanDerWaalsContact O-CB 3.32Å; M59-L63 WeakPolarHBondContact O-CB 3.09Å; M59-L63 WeakPolarHBondContact O-CG 3.44Å; M59-L63 PolarHBondContact O-N 2.63Å; E60-L63 PolarHBondContact O-N 3.36Å; L63-P67 WeakPolarHBondContact O-CA 3.21Å; L63-P67 WeakPolarHBondContact O-CG 3.11Å; L63-L71 HydrophobicContact CD1-CD2 3.99Å; L63-L71 HydrophobicContact CD1-CG 4.24Å; L63-L74 HydrophobicContact CD2-CD1 4.27Å; L63-L74 HydrophobicContact CG-CD1 4.11Å; L63-E183 HydrophobicContact CD1-CB 4.2Å; L63-L184 HydrophobicContact CB-CB 4.25Å; L63-L184 HydrophobicContact CB-CD1 4.05Å; L63-V187 HydrophobicContact CD1-CB 4.45Å; L63-V187 HydrophobicContact CD1-CG2 3.91Å
64E94.1Very high93.8Very high84 Ų8439.4 Ų39.439%0.39322%0.223SC..Hα-helixtrans-67.2-49.8172.4-74.4178.6170.100111.9E60 V62 L184 R188E60-E64 HydrophobicContact CG-CG 4.45Å; E60-E64 WeakPolarHBondContact O-CB 3.27Å; E60-E64 VanDerWaalsContact O-CG 3.3Å; E60-E64 WeakPolarHBondContact O-CG 3.44Å; E60-E64 PolarHBondContact O-N 3.19Å; V62-E64 VanDerWaalsContact C-N 3.33Å; E64-L184 HydrophobicContact CG-CD1 3.68Å; E64-L184 HydrophobicContact CG-CD2 3.74Å; E64-L184 HydrophobicContact CG-CG 4.37Å; E64-R188 IonicContact OE1-CZ 2.91Å; E64-R188 IonicContact OE1-NE 2.76Å; E64-R188 PolarHBondContact OE1-NE 2.97Å; E64-R188 IonicContact OE1-NH2 3.57Å; E64-R188 PolarHBondContact OE1-NH2 3.19Å
65A92.9Very high94Very high71 Ų7134 Ų3459%0.58720%0.199SC*.Hα-helixtrans-74.6-32.1-176.800000112.8E61 V62E61-A65 VanDerWaalsContact O-CB 3.25Å; E61-A65 WeakPolarHBondContact O-CB 3.05Å; E61-A65 PolarHBondContact O-N 2.87Å; V62-A65 PolarHBondContact O-N 2.87Å
66R90.7Very high94.1Very high96 Ų9641.3 Ų41.336%0.36223%0.226SC..  trans-141.672.5-173.1-56.9-178.966.382.4-1.1111.4V62 S68 S69 P113 V114V62-R66 CarbonylContact O-C 3.54Å; V62-R66 WeakPolarHBondContact O-CA 3.34Å; V62-R66 PolarHBondContact O-N 2.76Å; R66-S68 PolarHBondContact O-N 2.59Å; R66-S69 WeakPolarHBondContact CB-OG 3.33Å; R66-S69 VanDerWaalsContact O-CB 3.31Å; R66-S69 WeakPolarHBondContact O-CB 3.26Å; R66-S69 PolarHBondContact O-N 3.22Å; R66-S69 PolarHBondContact O-OG 3.03Å; R66-P113 PolarHBondContact NE-O 2.94Å; R66-P113 PolarHBondContact NH2-O 3.48Å; R66-V114 WeakPolarHBondContact CD-O 3.47Å
67P86.6Confident94.2Very high69 Ų6940.8 Ų40.845%0.44822%0.223SC..G310 helixtrans-53.6-33-177.7-27.735.1000114.2L63 S69 A180L63-P67 WeakPolarHBondContact O-CA 3.21Å; L63-P67 WeakPolarHBondContact O-CG 3.11Å; P67-S69 PolarHBondContact O-N 3.48Å; P67-A180 HydrophobicContact CB-CB 3.48Å; P67-A180 VanDerWaalsContact CB-CB 3.48Å; P67-A180 WeakPolarHBondContact O-CB 3.4Å
68S85.5Confident94.3Very high116 Ų11637.7 Ų37.781%0.81121%0.212SC*.G310 helixtrans-69.9-13.4-179.955.30000114.8R66R66-S68 PolarHBondContact O-N 2.59Å
69S86.6Confident94.4Very high16 Ų1639.8 Ų39.811%0.11222%0.221CC..G310 helixtrans-71.3-39.6180-47.10000111.9R66 P67 G73 P113R66-S69 WeakPolarHBondContact CB-OG 3.33Å; R66-S69 VanDerWaalsContact O-CB 3.31Å; R66-S69 WeakPolarHBondContact O-CB 3.26Å; R66-S69 PolarHBondContact O-N 3.22Å; R66-S69 PolarHBondContact O-OG 3.03Å; P67-S69 PolarHBondContact O-N 3.48Å; S69-G73 WeakPolarHBondContact O-CA 3.38Å; S69-G73 PolarHBondContact O-N 2.99Å; S69-P113 PolarHBondContact OG-O 3.1Å
70G92.8Very high94.4Very high9 Ų941.3 Ų41.39%0.09323%0.231CC..Hα-helixtrans59.5168.5-179.100000115.6C72 G73 L74 E183G70-C72 PolarHBondContact O-N 3.24Å; G70-G73 PolarHBondContact O-N 3.32Å; G70-L74 PolarHBondContact O-N 3.19Å; G70-L74 VanDerWaalsContact O-N 3.1Å; G70-E183 WeakPolarHBondContact CA-OE2 3.41Å
71L95.7Very high94.4Very high0 Ų040.3 Ų40.30%023%0.226CC..Hα-helixtrans-63.6-28173.7-70.8173.7000112M59 L63 L74 A75 C167 L170 L171 E183 V187M59-L71 HydrophobicContact SD-CD2 4.29Å; L63-L71 HydrophobicContact CD1-CD2 3.99Å; L63-L71 HydrophobicContact CD1-CG 4.24Å; L71-L74 HydrophobicContact CD2-CD1 4.23Å; L71-L74 PolarHBondContact O-N 3.06Å; L71-A75 WeakPolarHBondContact O-CB 3.49Å; L71-A75 PolarHBondContact O-N 2.84Å; L71-C167 HydrophobicContact CB-CB 4.36Å; L71-C167 HydrophobicContact CD2-CB 4.5Å; L71-L170 HydrophobicContact CD1-CB 3.79Å; L71-L170 HydrophobicContact CD1-CD1 4.36Å; L71-L171 HydrophobicContact CB-CD1 3.91Å; L71-L171 HydrophobicContact CB-CD2 3.93Å; L71-L171 HydrophobicContact CB-CG 3.71Å; L71-L171 HydrophobicContact CD1-CD2 4.45Å; L71-L171 HydrophobicContact CD1-CG 4.26Å; L71-E183 HydrophobicContact CD1-CB 3.87Å; L71-E183 HydrophobicContact CD1-CG 3.86Å; L71-E183 HydrophobicContact CG-CB 4.04Å; L71-E183 HydrophobicContact CG-CG 4.17Å; L71-E183 PolarHBondContact N-OE2 3.29Å; L71-V187 HydrophobicContact CD2-CG2 3.93Å
72C94.9Very high94.5Very high63 Ų6337.4 Ų37.443%0.42621%0.212SC..Hα-helixtrans-67.9-41.6176.5-177.40000111.3G70 R76 L171G70-C72 PolarHBondContact O-N 3.24Å; C72-R76 WeakPolarHBondContact O-CG 3.49Å; C72-R76 PolarHBondContact O-N 3.02Å; C72-L171 HydrophobicContact CB-CD1 4.08Å
73G95.5Very high94.6Very high14 Ų1439.5 Ų39.514%0.14422%0.222CC..Hα-helixtrans-63.2-48.9172.500000111.2S69 G70 A75 R76 T77S69-G73 WeakPolarHBondContact O-CA 3.38Å; S69-G73 PolarHBondContact O-N 2.99Å; G70-G73 PolarHBondContact O-N 3.32Å; G73-A75 VanDerWaalsContact C-N 3.34Å; G73-A75 PolarHBondContact O-N 3.3Å; G73-R76 WeakPolarHBondContact O-CB 3.31Å; G73-R76 PolarHBondContact O-N 2.86Å; G73-R76 VanDerWaalsContact O-N 3.1Å; G73-T77 PolarHBondContact O-N 3.32Å; G73-T77 PolarHBondContact O-OG1 3.03Å; G73-T77 VanDerWaalsContact O-OG1 3.07Å
74L97Very high94.6Very high1 Ų139.9 Ų39.91%0.00523%0.226CC..Hα-helixtrans-55.9-44.1176.4-80.2159.4000112.9M59 V62 L63 G70 L71 R76 T77 F78 V114M59-L74 HydrophobicContact CB-CD1 4.22Å; M59-L74 HydrophobicContact CG-CD1 4.11Å; V62-L74 HydrophobicContact CB-CD1 4.36Å; V62-L74 HydrophobicContact CB-CD2 4.13Å; V62-L74 HydrophobicContact CG1-CD1 4.09Å; V62-L74 HydrophobicContact CG1-CD2 3.93Å; V62-L74 HydrophobicContact CG1-CG 4.11Å; V62-L74 HydrophobicContact CG2-CD2 4.18Å; L63-L74 HydrophobicContact CD2-CD1 4.27Å; L63-L74 HydrophobicContact CG-CD1 4.11Å; G70-L74 PolarHBondContact O-N 3.19Å; G70-L74 VanDerWaalsContact O-N 3.1Å; L71-L74 HydrophobicContact CD2-CD1 4.23Å; L71-L74 PolarHBondContact O-N 3.06Å; L74-R76 VanDerWaalsContact C-N 3.29Å; L74-R76 PolarHBondContact O-N 3.48Å; L74-T77 WeakPolarHBondContact O-CB 3.31Å; L74-T77 PolarHBondContact O-N 3.2Å; L74-T77 VanDerWaalsContact O-N 3.14Å; L74-F78 HydrophobicContact CB-CD2 4.46Å; L74-F78 HydrophobicContact CB-CE2 4.17Å; L74-F78 HydrophobicContact CD2-CE2 4.21Å; L74-F78 HydrophobicContact CD2-CZ 4.36Å; L74-F78 WeakPolarHBondContact O-CD2 3.26Å; L74-F78 WeakPolarHBondContact O-CG 3.47Å; L74-F78 PolarHBondContact O-N 3.46Å; L74-V114 HydrophobicContact CD2-CG1 3.75Å; L74-V114 HydrophobicContact CG-CG1 3.78Å
75A97.3Very high94.6Very high6 Ų635.9 Ų35.95%0.0521%0.207CC..Hα-helixtrans-57.9-41.3176.500000112.3L71 G73 E79 R164 C167L71-A75 WeakPolarHBondContact O-CB 3.49Å; L71-A75 PolarHBondContact O-N 2.84Å; G73-A75 VanDerWaalsContact C-N 3.34Å; G73-A75 PolarHBondContact O-N 3.3Å; A75-E79 PolarHBondContact O-N 2.87Å; A75-E79 VanDerWaalsContact O-N 3.1Å; A75-R164 HydrophobicContact CB-CG 4.27Å; A75-R164 VanDerWaalsContact O-CD 3.31Å; A75-R164 WeakPolarHBondContact O-CD 3.18Å; A75-R164 WeakPolarHBondContact O-CG 3.49Å; A75-C167 HydrophobicContact CB-CB 3.76Å
76R97Very high94.6Very high156 Ų15632.5 Ų32.559%0.58918%0.179SC*.Hα-helixtrans-69.3-40.1176.1-66.4175.9-174.7179.61.7111.6C72 G73 L74 E79 V80C72-R76 WeakPolarHBondContact O-CG 3.49Å; C72-R76 PolarHBondContact O-N 3.02Å; G73-R76 WeakPolarHBondContact O-CB 3.31Å; G73-R76 PolarHBondContact O-N 2.86Å; G73-R76 VanDerWaalsContact O-N 3.1Å; L74-R76 VanDerWaalsContact C-N 3.29Å; L74-R76 PolarHBondContact O-N 3.48Å; R76-E79 WeakPolarHBondContact O-CB 3.33Å; R76-E79 PolarHBondContact O-N 3.04Å; R76-V80 WeakPolarHBondContact O-CG2 3.4Å; R76-V80 PolarHBondContact O-N 3.06Å; R76-V80 VanDerWaalsContact O-N 3.14Å
77T97.9Very high94.6Very high1 Ų129.8 Ų29.81%0.00617%0.172CC..Hα-helixtrans-59.7-46.8174.6-55.10000111.2G73 L74 E79 V80 L81 C110 V111 L115G73-T77 PolarHBondContact O-N 3.32Å; G73-T77 PolarHBondContact O-OG1 3.03Å; G73-T77 VanDerWaalsContact O-OG1 3.07Å; L74-T77 WeakPolarHBondContact O-CB 3.31Å; L74-T77 PolarHBondContact O-N 3.2Å; L74-T77 VanDerWaalsContact O-N 3.14Å; T77-E79 VanDerWaalsContact C-N 3.29Å; T77-E79 PolarHBondContact O-N 2.72Å; T77-V80 WeakPolarHBondContact O-CB 3.43Å; T77-V80 PolarHBondContact O-N 3Å; T77-V80 VanDerWaalsContact O-N 3.12Å; T77-L81 HydrophobicContact CG2-CD1 4.07Å; T77-L81 WeakPolarHBondContact O-CG 3.44Å; T77-L81 PolarHBondContact O-N 2.82Å; T77-C110 PolarHBondContact OG1-O 3.37Å; T77-V111 HydrophobicContact CG2-CG1 4.46Å; T77-V111 HydrophobicContact CG2-CG2 4.44Å; T77-L115 HydrophobicContact CG2-CD1 3.72Å; T77-L115 HydrophobicContact CG2-CD2 4.4Å; T77-L115 HydrophobicContact CG2-CG 3.89Å
78F98.3Very high94.7Very high1 Ų126.6 Ų26.60%0.00415%0.151CC..Hα-helixtrans-62.8-34.1176.7-70-50.5000112.4L53 L58 M59 L74 V80 L81 E82 F160 A163 R164L53-F78 HydrophobicContact CD2-CE1 4.24Å; L58-F78 HydrophobicContact CD2-CE1 3.83Å; L58-F78 HydrophobicContact CD2-CZ 3.95Å; M59-F78 HydrophobicContact CE-CD2 4.39Å; M59-F78 HydrophobicContact CE-CE2 3.55Å; M59-F78 HydrophobicContact CE-CZ 4.11Å; M59-F78 HydrophobicContact CG-CE2 4.16Å; M59-F78 HydrophobicContact CG-CZ 4.39Å; L74-F78 HydrophobicContact CB-CD2 4.46Å; L74-F78 HydrophobicContact CB-CE2 4.17Å; L74-F78 HydrophobicContact CD2-CE2 4.21Å; L74-F78 HydrophobicContact CD2-CZ 4.36Å; L74-F78 WeakPolarHBondContact O-CD2 3.26Å; L74-F78 WeakPolarHBondContact O-CG 3.47Å; L74-F78 PolarHBondContact O-N 3.46Å; F78-V80 VanDerWaalsContact C-N 3.34Å; F78-V80 PolarHBondContact O-N 3.09Å; F78-L81 HydrophobicContact CD1-CD1 3.99Å; F78-L81 PolarHBondContact O-N 3.07Å; F78-E82 WeakPolarHBondContact O-CB 3.25Å; F78-E82 PolarHBondContact O-N 2.84Å; F78-F160 AromaticContact CD1-CD1 3.9Å; F78-F160 HydrophobicContact CD1-CD1 3.9Å; F78-F160 HydrophobicContact CE1-CD1 4.49Å; F78-A163 HydrophobicContact CD1-CB 3.91Å; F78-A163 HydrophobicContact CD2-CB 3.75Å; F78-A163 HydrophobicContact CE1-CB 3.99Å; F78-A163 HydrophobicContact CE2-CB 3.84Å; F78-A163 HydrophobicContact CG-CB 3.8Å; F78-A163 HydrophobicContact CZ-CB 3.95Å; F78-R164 HydrophobicContact CB-CB 4Å
79E98Very high94.8Very high47 Ų4724.1 Ų24.122%0.2212%0.124CC..Hα-helixtrans-62.9-39.6172.6-163162.8146.400112.6A26 Q28 A75 R76 T77 Q83 R164 R168A26-E79 HydrophobicContact CB-CG 3.87Å; Q28-E79 PolarHBondContact NE2-OE1 3.39Å; A75-E79 PolarHBondContact O-N 2.87Å; A75-E79 VanDerWaalsContact O-N 3.1Å; R76-E79 WeakPolarHBondContact O-CB 3.33Å; R76-E79 PolarHBondContact O-N 3.04Å; T77-E79 VanDerWaalsContact C-N 3.29Å; T77-E79 PolarHBondContact O-N 2.72Å; E79-Q83 PolarHBondContact O-N 3.4Å; E79-R164 WeakPolarHBondContact OE2-CD 3.42Å; E79-R164 IonicContact OE2-CZ 3.53Å; E79-R164 IonicContact OE2-NE 2.66Å; E79-R164 IonicContact OE2-NH1 3.54Å; E79-R164 PolarHBondContact OE2-NH1 3.12Å; E79-R168 IonicContact OE2-NH2 3.43Å; E79-R168 PolarHBondContact OE2-NH2 3.13Å
80V97.8Very high94.6Very high33 Ų3326 Ų2620%0.213%0.133CC..Hα-helixtrans-66.4-40176174.70000111.1R76 T77 F78 Q83 A84 T106 C110 V111R76-V80 WeakPolarHBondContact O-CG2 3.4Å; R76-V80 PolarHBondContact O-N 3.06Å; R76-V80 VanDerWaalsContact O-N 3.14Å; T77-V80 WeakPolarHBondContact O-CB 3.43Å; T77-V80 PolarHBondContact O-N 3Å; T77-V80 VanDerWaalsContact O-N 3.12Å; F78-V80 VanDerWaalsContact C-N 3.34Å; F78-V80 PolarHBondContact O-N 3.09Å; V80-Q83 PolarHBondContact O-N 2.98Å; V80-A84 PolarHBondContact O-N 2.76Å; V80-T106 HydrophobicContact CB-CG2 4.44Å; V80-T106 HydrophobicContact CG1-CG2 3.98Å; V80-T106 HydrophobicContact CG2-CG2 3.53Å; V80-C110 HydrophobicContact CG2-CB 3.84Å; V80-V111 HydrophobicContact CB-CG2 4.4Å; V80-V111 HydrophobicContact CG1-CG2 4Å
81L97.8Very high94Very high0 Ų025.7 Ų25.70%013%0.13CC..Hα-helixtrans-68.9-41.2177.7-70.2164.3000112.2T77 F78 Q83 A84 A85 V123 F124 F160T77-L81 HydrophobicContact CG2-CD1 4.07Å; T77-L81 WeakPolarHBondContact O-CG 3.44Å; T77-L81 PolarHBondContact O-N 2.82Å; F78-L81 HydrophobicContact CD1-CD1 3.99Å; F78-L81 PolarHBondContact O-N 3.07Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 3.02Å; L81-A84 PolarHBondContact O-N 3.18Å; L81-A85 PolarHBondContact O-N 2.94Å; L81-V123 HydrophobicContact CD1-CG1 3.4Å; L81-V123 HydrophobicContact CD2-CG1 3.77Å; L81-V123 HydrophobicContact CG-CG1 4.19Å; L81-F124 HydrophobicContact CD2-CD1 4.08Å; L81-F124 HydrophobicContact CD2-CD2 4.04Å; L81-F124 HydrophobicContact CD2-CE1 3.72Å; L81-F124 HydrophobicContact CD2-CE2 3.69Å; L81-F124 HydrophobicContact CD2-CG 4.24Å; L81-F124 HydrophobicContact CD2-CZ 3.53Å; L81-F160 HydrophobicContact CB-CB 4.46Å; L81-F160 HydrophobicContact CB-CD1 3.74Å; L81-F160 HydrophobicContact CB-CD2 3.82Å; L81-F160 HydrophobicContact CB-CE1 3.84Å; L81-F160 HydrophobicContact CB-CE2 3.91Å; L81-F160 HydrophobicContact CB-CG 3.75Å; L81-F160 HydrophobicContact CB-CZ 3.92Å; L81-F160 HydrophobicContact CD1-CD1 4.12Å; L81-F160 HydrophobicContact CD1-CE1 3.87Å; L81-F160 HydrophobicContact CD1-CZ 4.45Å; L81-F160 HydrophobicContact CD2-CZ 4.46Å; L81-F160 HydrophobicContact CG-CE1 4.35Å
82E97.9Very high93.2Very high0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-54.6-49.5170.5-178.6-177.9170.800110Y10 A26 C27 F78 A84 A85 L86 F160 R164Y10-E82 PolarHBondContact OH-OE1 2.97Å; A26-E82 HydrophobicContact CB-CB 4.26Å; A26-E82 HydrophobicContact CB-CG 3.93Å; C27-E82 WeakPolarHBondContact CB-OE1 3.22Å; C27-E82 PolarHBondContact N-OE1 3.47Å; F78-E82 WeakPolarHBondContact O-CB 3.25Å; F78-E82 PolarHBondContact O-N 2.84Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.27Å; E82-A85 PolarHBondContact O-N 2.83Å; E82-L86 HydrophobicContact CG-CD1 4.38Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 2.86Å; E82-F160 HydrophobicContact CB-CB 3.82Å; E82-R164 IonicContact OE1-NH2 3.76Å; E82-R164 IonicContact OE2-CZ 3.86Å; E82-R164 IonicContact OE2-NE 3.1Å; E82-R164 PolarHBondContact OE2-NE 3.47Å; E82-R164 IonicContact OE2-NH2 2.6Å; E82-R164 PolarHBondContact OE2-NH2 3.44Å
83Q96.4Very high92.2Very high44 Ų4431.9 Ų31.921%0.20615%0.15CC..Hα-helixtrans-62-40.5177.3-1726565.600112.7C24 A26 E79 V80 L81 A85 L86 N87C24-Q83 PolarHBondContact O-NE2 3.2Å; A26-Q83 HydrophobicContact CB-CB 4.48Å; E79-Q83 PolarHBondContact O-N 3.4Å; V80-Q83 PolarHBondContact O-N 2.98Å; L81-Q83 VanDerWaalsContact C-N 3.31Å; L81-Q83 PolarHBondContact O-N 3.02Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; Q83-L86 PolarHBondContact O-N 3.38Å; Q83-N87 PolarHBondContact NE2-OD1 3.27Å; Q83-N87 WeakPolarHBondContact O-CB 3.43Å; Q83-N87 PolarHBondContact O-N 3.46Å; Q83-N87 PolarHBondContact O-ND2 3.24Å; Q83-N87 PolarHBondContact O-OD1 3.43Å
84A95.4Very high91.3Very high11 Ų1134.3 Ų34.39%0.09116%0.155CC..Hα-helixtrans-63-42.2177.800000111.5V80 L81 E82 N87 L88 F124 L127V80-A84 PolarHBondContact O-N 2.76Å; L81-A84 PolarHBondContact O-N 3.18Å; E82-A84 VanDerWaalsContact C-N 3.34Å; E82-A84 PolarHBondContact O-N 3.27Å; A84-N87 PolarHBondContact O-N 3.37Å; A84-L88 PolarHBondContact O-N 2.97Å; A84-F124 HydrophobicContact CB-CE1 4.39Å; A84-L127 HydrophobicContact CB-CD1 3.85Å
85A95.3Very high90.5Very high0 Ų039.7 Ų39.70%018%0.18CC..Hα-helixtrans-62.1-46.1174.600000111.8L81 E82 Q83 N87 L88 Y89 L127 A157 F160L81-A85 PolarHBondContact O-N 2.94Å; E82-A85 PolarHBondContact O-N 2.83Å; Q83-A85 VanDerWaalsContact C-N 3.34Å; A85-N87 PolarHBondContact O-N 2.99Å; A85-L88 PolarHBondContact O-N 3.38Å; A85-Y89 WeakPolarHBondContact O-CB 3.34Å; A85-Y89 PolarHBondContact O-N 3.02Å; A85-L127 HydrophobicContact CB-CD2 3.7Å; A85-A157 HydrophobicContact CB-CB 3.84Å; A85-F160 HydrophobicContact CB-CD2 4.31Å; A85-F160 HydrophobicContact CB-CE2 4.39Å
86L92.5Very high89.9Confident0 Ų044.4 Ų44.40%020%0.201CC..Hα-helixtrans-62.8-40177.4-71.5177.1000112.8Y10 L14 E82 Q83 L88 Y89 L90 A157Y10-L86 HydrophobicContact CE1-CD2 4.31Å; L14-L86 HydrophobicContact CD1-CD1 4.44Å; L14-L86 HydrophobicContact CD1-CD2 4.14Å; L14-L86 HydrophobicContact CD2-CD2 3.6Å; E82-L86 HydrophobicContact CG-CD1 4.38Å; E82-L86 WeakPolarHBondContact O-CG 3.48Å; E82-L86 PolarHBondContact O-N 2.86Å; Q83-L86 PolarHBondContact O-N 3.38Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.81Å; L86-Y89 PolarHBondContact O-N 2.86Å; L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.32Å; L86-A157 HydrophobicContact CD2-CB 3.85Å; L86-A157 HydrophobicContact CG-CB 4.06Å
87N90.2Very high89.5Confident39 Ų3939.7 Ų39.721%0.20918%0.184CC..Hα-helixtrans-60.1-44.3177.1-73.9-7.6000111.2Q83 A84 A85 G91 Y97Q83-N87 PolarHBondContact NE2-OD1 3.27Å; Q83-N87 WeakPolarHBondContact O-CB 3.43Å; Q83-N87 PolarHBondContact O-N 3.46Å; Q83-N87 PolarHBondContact O-ND2 3.24Å; Q83-N87 PolarHBondContact O-OD1 3.43Å; A84-N87 PolarHBondContact O-N 3.37Å; A85-N87 PolarHBondContact O-N 2.99Å; N87-G91 CarbonylContact O-C 3.6Å; N87-G91 WeakPolarHBondContact O-CA 3.47Å; N87-G91 PolarHBondContact O-N 2.96Å; N87-Y97 HydrophobicContact CB-CD1 3.96Å; N87-Y97 HydrophobicContact CB-CD2 3.74Å; N87-Y97 HydrophobicContact CB-CE1 3.89Å; N87-Y97 HydrophobicContact CB-CE2 3.62Å; N87-Y97 HydrophobicContact CB-CG 3.93Å; N87-Y97 VanDerWaalsContact O-CD2 3.23Å; N87-Y97 WeakPolarHBondContact O-CD2 3.5Å; N87-Y97 VanDerWaalsContact O-CE2 3.24Å; N87-Y97 WeakPolarHBondContact O-CE2 2.97Å
88L89.5Confident89.1Confident2 Ų244.7 Ų44.71%0.0120%0.203CC..Hα-helixtrans-69.3-35.7175.6-69177.9000112.7A84 A85 L86 P92 L127 Y129 L141 L153A84-L88 PolarHBondContact O-N 2.97Å; A85-L88 PolarHBondContact O-N 3.38Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 PolarHBondContact O-N 2.81Å; L88-P92 WeakPolarHBondContact O-CB 3.35Å; L88-P92 WeakPolarHBondContact O-CD 3.4Å; L88-L127 HydrophobicContact CD1-CB 4.08Å; L88-Y129 HydrophobicContact CD1-CE2 3.73Å; L88-L141 HydrophobicContact CD1-CD1 4.32Å; L88-L141 HydrophobicContact CD2-CD2 3.94Å; L88-L153 HydrophobicContact CB-CD1 3.81Å; L88-L153 HydrophobicContact CB-CD2 3.99Å; L88-L153 HydrophobicContact CD1-CD2 4.1Å
89Y86.4Confident88.8Confident63 Ų6346.9 Ų46.925%0.24722%0.216CC..Hα-helixtrans-65.9-47177.1173-119.4000111.9L14 A85 L86 P150 L154L14-Y89 HydrophobicContact CD2-CD1 4.31Å; L14-Y89 HydrophobicContact CD2-CE1 4.07Å; A85-Y89 WeakPolarHBondContact O-CB 3.34Å; A85-Y89 PolarHBondContact O-N 3.02Å; L86-Y89 PolarHBondContact O-N 2.86Å; Y89-P150 HydrophobicContact CD2-CB 4.03Å; Y89-P150 VanDerWaalsContact CD2-O 3.23Å; Y89-P150 WeakPolarHBondContact CD2-O 3.24Å; Y89-P150 HydrophobicContact CE2-CB 4.04Å; Y89-P150 WeakPolarHBondContact CE2-O 3.36Å; Y89-L154 HydrophobicContact CD1-CD1 4.37Å; Y89-L154 HydrophobicContact CD2-CB 4.23Å; Y89-L154 HydrophobicContact CE1-CD1 4.03Å; Y89-L154 HydrophobicContact CE2-CB 4.1Å
90L83.8Confident88.5Confident56 Ų5645.9 Ų45.929%0.29321%0.212SC..Hα-helixtrans-87.9-22.7-173-62.9173.3000113.8I18 C24 L86 W93I18-L90 HydrophobicContact CD1-CD1 4.13Å; I18-L90 HydrophobicContact CD1-CD2 4.03Å; C24-L90 HydrophobicContact CB-CD1 3.65Å; L86-L90 WeakPolarHBondContact O-CB 3.42Å; L86-L90 WeakPolarHBondContact O-CG 3.41Å; L86-L90 PolarHBondContact O-N 3.32Å; L90-W93 WeakPolarHBondContact O-CH2 3.36Å
91G80.1Confident88.2Confident2 Ų249.4 Ų49.42%0.02123%0.225CC..  trans-147.654.2-175.200000114.2N87 W93 R94 Y97N87-G91 CarbonylContact O-C 3.6Å; N87-G91 WeakPolarHBondContact O-CA 3.47Å; N87-G91 PolarHBondContact O-N 2.96Å; G91-W93 PolarHBondContact O-N 3.45Å; G91-W93 VanDerWaalsContact O-N 3.08Å; G91-R94 WeakPolarHBondContact O-CB 3.48Å; G91-R94 PolarHBondContact O-N 3.47Å; G91-Y97 VanDerWaalsContact O-CD2 3.3Å; G91-Y97 WeakPolarHBondContact O-CD2 3.09Å
92P78.4Confident87.8Confident48 Ų4851.4 Ų51.431%0.31223%0.234SC..THydrogen-bonded Turntrans-60.5-21.5-17824.1-33.4000114.1L88 R94L88-P92 WeakPolarHBondContact O-CB 3.35Å; L88-P92 WeakPolarHBondContact O-CD 3.4Å; P92-R94 VanDerWaalsContact C-N 3.3Å; P92-R94 PolarHBondContact O-N 3.06Å
93W73.7Confident87.4Confident146 Ų14657.8 Ų57.855%0.55326%0.259SS*.THydrogen-bonded Turntrans-77.1-11.5177.156.288.4000114.1L90 G91 E95 L419L90-W93 WeakPolarHBondContact O-CH2 3.36Å; G91-W93 PolarHBondContact O-N 3.45Å; G91-W93 VanDerWaalsContact O-N 3.08Å; W93-E95 PolarHBondContact O-N 2.84Å; W93-L419 HydrophobicContact CH2-CD1 4.42Å; W93-L419 HydrophobicContact CZ2-CD2 4.39Å
94R75.7Confident87.1Confident64 Ų6457.8 Ų57.824%0.24226%0.264CS..  trans-75.9122.9-175.8-76.8-179.4176.2-92.71.6111.6G91 P92 E96 Y97G91-R94 WeakPolarHBondContact O-CB 3.48Å; G91-R94 PolarHBondContact O-N 3.47Å; P92-R94 VanDerWaalsContact C-N 3.3Å; P92-R94 PolarHBondContact O-N 3.06Å; R94-E96 HydrophobicContact CB-CG 4.19Å; R94-E96 WeakPolarHBondContact CB-OE2 3.48Å; R94-E96 WeakPolarHBondContact CD-OE1 3.21Å; R94-E96 IonicContact CZ-OE1 2.73Å; R94-E96 IonicContact NH1-OE1 3.11Å; R94-E96 PolarHBondContact NH1-OE1 3.37Å; R94-E96 PolarHBondContact O-N 3.16Å; R94-Y97 HydrophobicContact CB-CD2 3.64Å; R94-Y97 HydrophobicContact CB-CE2 3.83Å; R94-Y97 HydrophobicContact CB-CG 4.14Å; R94-Y97 HydrophobicContact CG-CD2 4.43Å; R94-Y97 HydrophobicContact CG-CE2 4.16Å; R94-Y97 PolarHBondContact O-N 3.36Å; R94-Y97 VanDerWaalsContact O-N 3.13Å
95E80.9Confident86.8Confident114 Ų11459.4 Ų59.453%0.53328%0.282SS..G310 helixtrans-63.1-32.1-179.4-62.7-61.2155.300112.1W93 Y97 R98W93-E95 PolarHBondContact O-N 2.84Å; E95-Y97 PolarHBondContact O-N 2.98Å; E95-R98 WeakPolarHBondContact O-CB 3.31Å; E95-R98 PolarHBondContact O-N 3.29Å; E95-R98 VanDerWaalsContact O-N 3.12Å; E95-R98 IonicContact OE1-CZ 3.78Å; E95-R98 IonicContact OE1-NE 2.87Å; E95-R98 IonicContact OE1-NH1 3.43Å; E95-R98 PolarHBondContact OE1-NH1 3.39Å; E95-R98 IonicContact OE1-NH2 3.81Å; E95-R98 PolarHBondContact OE1-NH2 3.43Å; E95-R98 VanDerWaalsContact OE2-CD 3.28Å; E95-R98 WeakPolarHBondContact OE2-CD 3.44Å; E95-R98 IonicContact OE2-CZ 3.38Å; E95-R98 IonicContact OE2-NE 3.19Å; E95-R98 IonicContact OE2-NH1 3.86Å; E95-R98 PolarHBondContact OE2-NH1 3.37Å
96E85.6Confident86.7Confident106 Ų10663.3 Ų63.350%0.49531%0.306SS..G310 helixtrans-62.8-22.3177.462.5-94.5-142.100113.6R94R94-E96 HydrophobicContact CB-CG 4.19Å; R94-E96 WeakPolarHBondContact CB-OE2 3.48Å; R94-E96 WeakPolarHBondContact CD-OE1 3.21Å; R94-E96 IonicContact CZ-OE1 2.73Å; R94-E96 IonicContact NH1-OE1 3.11Å; R94-E96 PolarHBondContact NH1-OE1 3.37Å; R94-E96 PolarHBondContact O-N 3.16Å
97Y88.9Confident86.7Confident56 Ų5663.7 Ų63.722%0.2231%0.308CS..G310 helixtrans-92.3-11.4178.7-55.2-24.7000112.6N87 G91 R94 E95 V99 Y129N87-Y97 HydrophobicContact CB-CD1 3.96Å; N87-Y97 HydrophobicContact CB-CD2 3.74Å; N87-Y97 HydrophobicContact CB-CE1 3.89Å; N87-Y97 HydrophobicContact CB-CE2 3.62Å; N87-Y97 HydrophobicContact CB-CG 3.93Å; N87-Y97 VanDerWaalsContact O-CD2 3.23Å; N87-Y97 WeakPolarHBondContact O-CD2 3.5Å; N87-Y97 VanDerWaalsContact O-CE2 3.24Å; N87-Y97 WeakPolarHBondContact O-CE2 2.97Å; G91-Y97 VanDerWaalsContact O-CD2 3.3Å; G91-Y97 WeakPolarHBondContact O-CD2 3.09Å; R94-Y97 HydrophobicContact CB-CD2 3.64Å; R94-Y97 HydrophobicContact CB-CE2 3.83Å; R94-Y97 HydrophobicContact CB-CG 4.14Å; R94-Y97 HydrophobicContact CG-CD2 4.43Å; R94-Y97 HydrophobicContact CG-CE2 4.16Å; R94-Y97 PolarHBondContact O-N 3.36Å; R94-Y97 VanDerWaalsContact O-N 3.13Å; E95-Y97 PolarHBondContact O-N 2.98Å; Y97-V99 PolarHBondContact O-N 3.5Å; Y97-Y129 VanDerWaalsContact O-CE1 3.29Å; Y97-Y129 WeakPolarHBondContact O-CE1 3.26Å; Y97-Y129 PolarHBondContact O-OH 3.25Å
98R89.1Confident86.9Confident107 Ų10764.5 Ų64.540%0.40431%0.314SS..SBendtrans-72.3-20.4178.8-64.6-167.6178.4160.2-1.6113.4E95 L141E95-R98 WeakPolarHBondContact O-CB 3.31Å; E95-R98 PolarHBondContact O-N 3.29Å; E95-R98 VanDerWaalsContact O-N 3.12Å; E95-R98 IonicContact OE1-CZ 3.78Å; E95-R98 IonicContact OE1-NE 2.87Å; E95-R98 IonicContact OE1-NH1 3.43Å; E95-R98 PolarHBondContact OE1-NH1 3.39Å; E95-R98 IonicContact OE1-NH2 3.81Å; E95-R98 PolarHBondContact OE1-NH2 3.43Å; E95-R98 VanDerWaalsContact OE2-CD 3.28Å; E95-R98 WeakPolarHBondContact OE2-CD 3.44Å; E95-R98 IonicContact OE2-CZ 3.38Å; E95-R98 IonicContact OE2-NE 3.19Å; E95-R98 IonicContact OE2-NH1 3.86Å; E95-R98 PolarHBondContact OE2-NH1 3.37Å; R98-L141 PolarHBondContact O-N 2.94Å
99V90.6Very high87.1Confident46 Ų4671.6 Ų71.628%0.27935%0.347SS..EExtended strand (participates in β ladder)trans-134.8120.2-175.8-174.90000110.9Y97 L138 L139Y97-V99 PolarHBondContact O-N 3.5Å; V99-L138 HydrophobicContact CG1-CB 4.23Å; V99-L138 HydrophobicContact CG1-CD1 4.02Å; V99-L138 HydrophobicContact CG1-CD2 4.13Å; V99-L138 HydrophobicContact CG1-CG 4.38Å; V99-L139 CarbonylContact C-O 3.53Å; V99-L139 WeakPolarHBondContact CA-O 3.36Å
100I92.4Very high87.4Confident27 Ų2770 Ų7014%0.13835%0.345CS..EExtended strand (participates in β ladder)trans-95.6122171.5-60.8176.9000109.1F107 F124 Y129 L138 L139I100-F107 HydrophobicContact CG2-CD2 4.03Å; I100-F107 HydrophobicContact CG2-CE2 4.39Å; I100-F124 HydrophobicContact CD1-CD1 3.38Å; I100-F124 HydrophobicContact CD1-CE1 3.35Å; I100-F124 HydrophobicContact CD1-CG 4.48Å; I100-F124 HydrophobicContact CD1-CZ 4.42Å; I100-Y129 HydrophobicContact CD1-CD1 4.09Å; I100-Y129 HydrophobicContact CD1-CD2 3.89Å; I100-Y129 HydrophobicContact CD1-CE1 3.8Å; I100-Y129 HydrophobicContact CD1-CE2 3.58Å; I100-Y129 HydrophobicContact CD1-CG 4.15Å; I100-Y129 HydrophobicContact CG1-CD1 4.21Å; I100-Y129 HydrophobicContact CG1-CE1 3.76Å; I100-Y129 HydrophobicContact CG1-CE2 4.41Å; I100-L138 WeakPolarHBondContact O-CA 3.44Å; I100-L139 HydrophobicContact CB-CB 4.19Å; I100-L139 PolarHBondContact N-O 3.3Å; I100-L139 PolarHBondContact O-N 3.16Å
101K91.4Very high88Confident107 Ų10767.4 Ų67.447%0.46533%0.331SS..EExtended strand (participates in β ladder)trans-89.1111.8176.7-65.6170.6175.7-178.60109.4Y103 S104 L138K101-Y103 HydrophobicContact CB-CD1 4.28Å; K101-Y103 HydrophobicContact CB-CD2 4.34Å; K101-Y103 HydrophobicContact CB-CE1 3.9Å; K101-Y103 HydrophobicContact CB-CE2 3.96Å; K101-Y103 HydrophobicContact CB-CG 4.5Å; K101-Y103 HydrophobicContact CD-CE2 3.88Å; K101-Y103 VanDerWaalsContact CD-OH 3.26Å; K101-Y103 WeakPolarHBondContact CD-OH 3.12Å; K101-Y103 WeakPolarHBondContact CE-OH 3.25Å; K101-Y103 HydrophobicContact CG-CE1 4.08Å; K101-Y103 HydrophobicContact CG-CE2 4.18Å; K101-Y103 WeakPolarHBondContact CG-OH 3.36Å; K101-Y103 PolarHBondContact O-N 3.32Å; K101-S104 VanDerWaalsContact O-CB 3.23Å; K101-S104 WeakPolarHBondContact O-CB 3.46Å; K101-S104 PolarHBondContact O-N 2.82Å; K101-S104 PolarHBondContact O-OG 3.48Å; K101-L138 HydrophobicContact CB-CD2 4.18Å; K101-L138 HydrophobicContact CG-CD2 3.74Å
102M90.1Very high88.7Confident42 Ų4269.4 Ų69.421%0.20735%0.348CS..THydrogen-bonded Turntrans-71.5-13.1-178.8-60.4173.567.800113.3S104 F107 T120 R137 L139M102-S104 VanDerWaalsContact C-N 3.33Å; M102-F107 HydrophobicContact CB-CD1 3.77Å; M102-F107 HydrophobicContact CB-CE1 3.71Å; M102-F107 HydrophobicContact CB-CE2 4.46Å; M102-F107 HydrophobicContact CB-CG 4.2Å; M102-F107 HydrophobicContact CB-CZ 4.09Å; M102-F107 HydrophobicContact CE-CE1 3.72Å; M102-F107 HydrophobicContact CE-CZ 3.66Å; M102-F107 HydrophobicContact CG-CD1 4.26Å; M102-F107 HydrophobicContact CG-CD2 4.34Å; M102-F107 HydrophobicContact CG-CE1 3.86Å; M102-F107 HydrophobicContact CG-CE2 3.93Å; M102-F107 HydrophobicContact CG-CZ 3.7Å; M102-F107 WeakPolarHBondContact O-CD1 3.23Å; M102-F107 HydrophobicContact SD-CZ 4.4Å; M102-T120 HydrophobicContact CE-CG2 4.33Å; M102-R137 VanDerWaalsContact CB-O 3.24Å; M102-R137 WeakPolarHBondContact CB-O 3.28Å; M102-R137 VanDerWaalsContact CG-O 3.31Å; M102-R137 WeakPolarHBondContact CG-O 3.33Å; M102-R137 PolarHBondContact N-O 3.01Å; M102-L139 HydrophobicContact CG-CG 4.36Å; M102-L139 HydrophobicContact SD-CD2 4.33Å; M102-L139 HydrophobicContact SD-CG 4.21Å
103Y89.1Confident89.4Confident133 Ų13369.8 Ų69.852%0.52235%0.35SS..THydrogen-bonded Turntrans-90.15.3171.857.3-96.5000113.3K101 L138K101-Y103 HydrophobicContact CB-CD1 4.28Å; K101-Y103 HydrophobicContact CB-CD2 4.34Å; K101-Y103 HydrophobicContact CB-CE1 3.9Å; K101-Y103 HydrophobicContact CB-CE2 3.96Å; K101-Y103 HydrophobicContact CB-CG 4.5Å; K101-Y103 HydrophobicContact CD-CE2 3.88Å; K101-Y103 VanDerWaalsContact CD-OH 3.26Å; K101-Y103 WeakPolarHBondContact CD-OH 3.12Å; K101-Y103 WeakPolarHBondContact CE-OH 3.25Å; K101-Y103 HydrophobicContact CG-CE1 4.08Å; K101-Y103 HydrophobicContact CG-CE2 4.18Å; K101-Y103 WeakPolarHBondContact CG-OH 3.36Å; K101-Y103 PolarHBondContact O-N 3.32Å; Y103-L138 HydrophobicContact CE1-CD2 3.72Å
104S89.7Confident90.5Very high44 Ų4463.1 Ų63.131%0.30833%0.325SS..SBendtrans-71.1149.1174.264.60000111K101 M102 T106 F107 T108K101-S104 VanDerWaalsContact O-CB 3.23Å; K101-S104 WeakPolarHBondContact O-CB 3.46Å; K101-S104 PolarHBondContact O-N 2.82Å; K101-S104 PolarHBondContact O-OG 3.48Å; M102-S104 VanDerWaalsContact C-N 3.33Å; S104-T106 VanDerWaalsContact C-N 3.33Å; S104-T106 PolarHBondContact O-N 3.44Å; S104-F107 PolarHBondContact O-N 2.94Å; S104-F107 VanDerWaalsContact OG-CB 3.31Å; S104-F107 WeakPolarHBondContact OG-CB 3.5Å; S104-T108 WeakPolarHBondContact O-CG2 3.48Å; S104-T108 PolarHBondContact O-N 2.91Å; S104-T108 PolarHBondContact O-OG1 3.03Å; S104-T108 VanDerWaalsContact O-OG1 3.12Å
105G90.4Very high91.5Very high45 Ų4560.4 Ų60.446%0.46432%0.316SS..Hα-helixtrans-53.6-46.4-177.800000113.3F107 T108 H109G105-F107 VanDerWaalsContact C-N 3.33Å; G105-F107 PolarHBondContact O-N 3.39Å; G105-T108 WeakPolarHBondContact CA-OG1 3.35Å; G105-T108 PolarHBondContact O-N 2.97Å; G105-T108 PolarHBondContact O-OG1 3.31Å; G105-H109 WeakPolarHBondContact O-CB 3.44Å; G105-H109 PolarHBondContact O-CD2 3.01Å; G105-H109 PolarHBondContact O-N 3.21Å
106T91.9Very high92Very high83 Ų8356.7 Ų56.751%0.50930%0.302SS..Hα-helixtrans-60.2-43.7177.1-53.20000111.6V80 S104 C110V80-T106 HydrophobicContact CB-CG2 4.44Å; V80-T106 HydrophobicContact CG1-CG2 3.98Å; V80-T106 HydrophobicContact CG2-CG2 3.53Å; S104-T106 VanDerWaalsContact C-N 3.33Å; S104-T106 PolarHBondContact O-N 3.44Å; T106-C110 WeakPolarHBondContact O-CB 3.31Å; T106-C110 PolarHBondContact O-N 3.03Å
107F93.5Very high92.3Very high8 Ų854.5 Ų54.54%0.03530%0.302CS..Iπ-helixtrans-66.8-46.1179.3-163.7-75.9000111.3I100 M102 S104 G105 H109 V111 A112 T120 F124 L139I100-F107 HydrophobicContact CG2-CD2 4.03Å; I100-F107 HydrophobicContact CG2-CE2 4.39Å; M102-F107 HydrophobicContact CB-CD1 3.77Å; M102-F107 HydrophobicContact CB-CE1 3.71Å; M102-F107 HydrophobicContact CB-CE2 4.46Å; M102-F107 HydrophobicContact CB-CG 4.2Å; M102-F107 HydrophobicContact CB-CZ 4.09Å; M102-F107 HydrophobicContact CE-CE1 3.72Å; M102-F107 HydrophobicContact CE-CZ 3.66Å; M102-F107 HydrophobicContact CG-CD1 4.26Å; M102-F107 HydrophobicContact CG-CD2 4.34Å; M102-F107 HydrophobicContact CG-CE1 3.86Å; M102-F107 HydrophobicContact CG-CE2 3.93Å; M102-F107 HydrophobicContact CG-CZ 3.7Å; M102-F107 WeakPolarHBondContact O-CD1 3.23Å; M102-F107 HydrophobicContact SD-CZ 4.4Å; S104-F107 PolarHBondContact O-N 2.94Å; S104-F107 VanDerWaalsContact OG-CB 3.31Å; S104-F107 WeakPolarHBondContact OG-CB 3.5Å; G105-F107 VanDerWaalsContact C-N 3.33Å; G105-F107 PolarHBondContact O-N 3.39Å; F107-H109 VanDerWaalsContact C-N 3.31Å; F107-H109 PolarHBondContact O-N 2.87Å; F107-V111 HydrophobicContact CD1-CB 4.14Å; F107-V111 HydrophobicContact CD2-CB 4.04Å; F107-V111 HydrophobicContact CD2-CG1 4.2Å; F107-V111 HydrophobicContact CD2-CG2 4.14Å; F107-V111 HydrophobicContact CE1-CB 4.14Å; F107-V111 HydrophobicContact CE1-CG1 4.03Å; F107-V111 HydrophobicContact CE2-CB 4.05Å; F107-V111 HydrophobicContact CE2-CG1 3.7Å; F107-V111 HydrophobicContact CE2-CG2 4.4Å; F107-V111 HydrophobicContact CG-CB 4.07Å; F107-V111 HydrophobicContact CG-CG2 4.41Å; F107-V111 HydrophobicContact CZ-CB 4.07Å; F107-V111 HydrophobicContact CZ-CG1 3.57Å; F107-V111 WeakPolarHBondContact O-CA 3.5Å; F107-V111 WeakPolarHBondContact O-CB 3.4Å; F107-V111 PolarHBondContact O-N 3.07Å; F107-A112 HydrophobicContact CD1-CB 4.14Å; F107-A112 HydrophobicContact CE1-CB 4.1Å; F107-A112 PolarHBondContact O-N 2.98Å; F107-T120 HydrophobicContact CE2-CG2 4.1Å; F107-T120 HydrophobicContact CZ-CG2 3.64Å; F107-F124 AromaticContact CE2-CE2 3.86Å; F107-F124 HydrophobicContact CE2-CE2 3.86Å; F107-F124 HydrophobicContact CE2-CZ 4.14Å; F107-L139 HydrophobicContact CE2-CD1 4.48Å
108T93.8Very high92.5Very high56 Ų5656 Ų5634%0.34432%0.319SS..Iπ-helixtrans-67-30-177.9540000113.3S104 G105 P113S104-T108 WeakPolarHBondContact O-CG2 3.48Å; S104-T108 PolarHBondContact O-N 2.91Å; S104-T108 PolarHBondContact O-OG1 3.03Å; S104-T108 VanDerWaalsContact O-OG1 3.12Å; G105-T108 WeakPolarHBondContact CA-OG1 3.35Å; G105-T108 PolarHBondContact O-N 2.97Å; G105-T108 PolarHBondContact O-OG1 3.31Å; T108-P113 VanDerWaalsContact O-CD 3.31Å; T108-P113 WeakPolarHBondContact O-CD 3.18Å; T108-P113 WeakPolarHBondContact O-CG 3.44Å
109H93.3Very high92.8Very high150 Ų15051.7 Ų51.769%0.69430%0.304SS*.Iπ-helixtrans-97.5-28.9-177.5-67.7-60.6000114.2G105 F107G105-H109 WeakPolarHBondContact O-CB 3.44Å; G105-H109 PolarHBondContact O-CD2 3.01Å; G105-H109 PolarHBondContact O-N 3.21Å; F107-H109 VanDerWaalsContact C-N 3.31Å; F107-H109 PolarHBondContact O-N 2.87Å
110C93.9Very high93Very high31 Ų3149.7 Ų49.721%0.20929%0.292CS..Iπ-helixtrans-108.5-36.1-175.2-56.40000112.6T77 V80 T106T77-C110 PolarHBondContact OG1-O 3.37Å; V80-C110 HydrophobicContact CG2-CB 3.84Å; T106-C110 WeakPolarHBondContact O-CB 3.31Å; T106-C110 PolarHBondContact O-N 3.03Å
111V95.6Very high93Very high0 Ų052.5 Ų52.50%030%0.304CS..Iπ-helixtrans-99.3-57.5-172-175.40000111.8T77 V80 F107 P113 V114 L115 F124T77-V111 HydrophobicContact CG2-CG1 4.46Å; T77-V111 HydrophobicContact CG2-CG2 4.44Å; V80-V111 HydrophobicContact CB-CG2 4.4Å; V80-V111 HydrophobicContact CG1-CG2 4Å; F107-V111 HydrophobicContact CD1-CB 4.14Å; F107-V111 HydrophobicContact CD2-CB 4.04Å; F107-V111 HydrophobicContact CD2-CG1 4.2Å; F107-V111 HydrophobicContact CD2-CG2 4.14Å; F107-V111 HydrophobicContact CE1-CB 4.14Å; F107-V111 HydrophobicContact CE1-CG1 4.03Å; F107-V111 HydrophobicContact CE2-CB 4.05Å; F107-V111 HydrophobicContact CE2-CG1 3.7Å; F107-V111 HydrophobicContact CE2-CG2 4.4Å; F107-V111 HydrophobicContact CG-CB 4.07Å; F107-V111 HydrophobicContact CG-CG2 4.41Å; F107-V111 HydrophobicContact CZ-CB 4.07Å; F107-V111 HydrophobicContact CZ-CG1 3.57Å; F107-V111 WeakPolarHBondContact O-CA 3.5Å; F107-V111 WeakPolarHBondContact O-CB 3.4Å; F107-V111 PolarHBondContact O-N 3.07Å; V111-P113 VanDerWaalsContact C-N 3.35Å; V111-V114 PolarHBondContact O-N 3.19Å; V111-L115 HydrophobicContact CG1-CB 4.41Å; V111-L115 HydrophobicContact CG1-CD1 3.99Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 PolarHBondContact O-N 3.11Å; V111-F124 HydrophobicContact CG1-CE2 4.06Å
112A93.9Very high93.1Very high45 Ų4551.2 Ų51.237%0.37230%0.3SS..THydrogen-bonded Turntrans-58-33.2-174.400000115.3F107 V114F107-A112 HydrophobicContact CD1-CB 4.14Å; F107-A112 HydrophobicContact CE1-CB 4.1Å; F107-A112 PolarHBondContact O-N 2.98Å; A112-V114 PolarHBondContact O-N 3.13Å
113P94.8Very high93.3Very high56 Ų5649.3 Ų49.336%0.36429%0.29SS..THydrogen-bonded Turntrans-68.2-26.4175.9-22.436000113R66 S69 T108 V111R66-P113 PolarHBondContact NE-O 2.94Å; R66-P113 PolarHBondContact NH2-O 3.48Å; S69-P113 PolarHBondContact OG-O 3.1Å; T108-P113 VanDerWaalsContact O-CD 3.31Å; T108-P113 WeakPolarHBondContact O-CD 3.18Å; T108-P113 WeakPolarHBondContact O-CG 3.44Å; V111-P113 VanDerWaalsContact C-N 3.35Å
114V96.3Very high93.6Very high5 Ų543.1 Ų43.13%0.0327%0.266CS..THydrogen-bonded Turntrans-102-49.5-168.5-178.10000111.7V62 R66 L74 V111 A112V62-V114 HydrophobicContact CG1-CG1 3.85Å; V62-V114 WeakPolarHBondContact CG1-O 3.41Å; R66-V114 WeakPolarHBondContact CD-O 3.47Å; L74-V114 HydrophobicContact CD2-CG1 3.75Å; L74-V114 HydrophobicContact CG-CG1 3.78Å; V111-V114 PolarHBondContact O-N 3.19Å; A112-V114 PolarHBondContact O-N 3.13Å
115L95.4Very high93.8Very high7 Ų741.8 Ų41.84%0.03726%0.26CS..  trans-97.2136-176.3-57-174.3000111.4V62 T77 V111 Q119V62-L115 HydrophobicContact CG2-CD2 3.75Å; T77-L115 HydrophobicContact CG2-CD1 3.72Å; T77-L115 HydrophobicContact CG2-CD2 4.4Å; T77-L115 HydrophobicContact CG2-CG 3.89Å; V111-L115 HydrophobicContact CG1-CB 4.41Å; V111-L115 HydrophobicContact CG1-CD1 3.99Å; V111-L115 HydrophobicContact CG1-CG 4.34Å; V111-L115 PolarHBondContact O-N 3.11Å; L115-Q119 HydrophobicContact CB-CB 4.23Å; L115-Q119 HydrophobicContact CD2-CB 4.35Å
116S93.4Very high93.9Very high36 Ų3642.7 Ų42.725%0.25225%0.253SS..  trans-69166.7164.166.10000111.3P118 Q119 T120S116-P118 WeakPolarHBondContact OG-CD 3.39Å; S116-P118 WeakPolarHBondContact OG-CG 3.39Å; S116-Q119 PolarHBondContact O-N 2.89Å; S116-Q119 WeakPolarHBondContact OG-CG 3.41Å; S116-Q119 PolarHBondContact OG-N 3.28Å; S116-Q119 PolarHBondContact OG-OE1 3.42Å; S116-T120 WeakPolarHBondContact O-CB 3.25Å; S116-T120 PolarHBondContact O-N 3.49Å; S116-T120 PolarHBondContact O-OG1 2.87Å
117A91.1Very high94Very high60 Ų6038.7 Ų38.750%0.49623%0.229SC..Hα-helixtrans-53.8-50.9174.100000113.3Q119 T120 E121A117-Q119 PolarHBondContact O-N 3.45Å; A117-T120 WeakPolarHBondContact O-CB 3.21Å; A117-T120 PolarHBondContact O-N 3.46Å; A117-E121 WeakPolarHBondContact O-CG 3.44Å; A117-E121 PolarHBondContact O-N 2.93Å
118P92.4Very high93.9Very high89 Ų8939.2 Ų39.258%0.57824%0.237SC*.Hα-helixtrans-64-37.6179.323.7-33.9000113S116 T120 E121 E122S116-P118 WeakPolarHBondContact OG-CD 3.39Å; S116-P118 WeakPolarHBondContact OG-CG 3.39Å; P118-T120 VanDerWaalsContact C-N 3.34Å; P118-E121 PolarHBondContact O-N 3.32Å; P118-E122 WeakPolarHBondContact O-CB 3.38Å; P118-E122 PolarHBondContact O-N 3.23Å
119Q94.9Very high93.9Very high16 Ų1636.9 Ų36.98%0.07522%0.222CC..Hα-helixtrans-66.9-37.8175.8-72.1163.3-31.800111.8L58 L115 S116 A117 E121 E122 V123L58-Q119 HydrophobicContact CD1-CB 4.34Å; L58-Q119 HydrophobicContact CD1-CG 4.17Å; L115-Q119 HydrophobicContact CB-CB 4.23Å; L115-Q119 HydrophobicContact CD2-CB 4.35Å; S116-Q119 PolarHBondContact O-N 2.89Å; S116-Q119 WeakPolarHBondContact OG-CG 3.41Å; S116-Q119 PolarHBondContact OG-N 3.28Å; S116-Q119 PolarHBondContact OG-OE1 3.42Å; A117-Q119 PolarHBondContact O-N 3.45Å; Q119-E121 VanDerWaalsContact C-N 3.35Å; Q119-E122 PolarHBondContact O-N 3.03Å; Q119-V123 VanDerWaalsContact O-CG2 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.43Å; Q119-V123 PolarHBondContact O-N 2.98Å
120T95.1Very high93.8Very high4 Ų436.5 Ų36.53%0.02521%0.214CC..Hα-helixtrans-60.3-48.6173.2-61.50000110.1M102 F107 S116 A117 P118 E122 V123 F124 L139M102-T120 HydrophobicContact CE-CG2 4.33Å; F107-T120 HydrophobicContact CE2-CG2 4.1Å; F107-T120 HydrophobicContact CZ-CG2 3.64Å; S116-T120 WeakPolarHBondContact O-CB 3.25Å; S116-T120 PolarHBondContact O-N 3.49Å; S116-T120 PolarHBondContact O-OG1 2.87Å; A117-T120 WeakPolarHBondContact O-CB 3.21Å; A117-T120 PolarHBondContact O-N 3.46Å; P118-T120 VanDerWaalsContact C-N 3.34Å; T120-E122 VanDerWaalsContact C-N 3.34Å; T120-E122 PolarHBondContact O-N 2.87Å; T120-V123 PolarHBondContact O-N 2.91Å; T120-F124 HydrophobicContact CG2-CD2 3.69Å; T120-F124 HydrophobicContact CG2-CE2 4.1Å; T120-F124 WeakPolarHBondContact O-CB 3.36Å; T120-F124 WeakPolarHBondContact O-CD2 3.45Å; T120-F124 PolarHBondContact O-N 3.01Å; T120-L139 HydrophobicContact CG2-CD1 3.93Å
121E92.9Very high93.6Very high85 Ų8536.9 Ų36.940%0.39722%0.216SC..Hα-helixtrans-62.6-39.5179-71.1-178.9-154.600112.8A117 P118 Q119 G125 P131A117-E121 WeakPolarHBondContact O-CG 3.44Å; A117-E121 PolarHBondContact O-N 2.93Å; P118-E121 PolarHBondContact O-N 3.32Å; Q119-E121 VanDerWaalsContact C-N 3.35Å; E121-G125 VanDerWaalsContact O-CA 3.22Å; E121-G125 WeakPolarHBondContact O-CA 3.36Å; E121-G125 PolarHBondContact O-N 3.08Å; E121-P131 HydrophobicContact CG-CG 3.52Å; E121-P131 WeakPolarHBondContact OE1-CG 3.17Å
122E93.7Very high92.8Very high80 Ų8037.2 Ų37.237%0.37422%0.22SC..Hα-helixtrans-61-55.4175.3-179-179-168.800110.7R57 P118 Q119 T120 G125 L126R57-E122 IonicContact CZ-OE1 3.22Å; R57-E122 VanDerWaalsContact CZ-OE1 3.25Å; R57-E122 IonicContact NH1-OE1 3.79Å; R57-E122 PolarHBondContact NH1-OE1 3.3Å; R57-E122 IonicContact NH2-OE1 3.33Å; R57-E122 PolarHBondContact NH2-OE1 3.22Å; R57-E122 IonicContact NH2-OE2 3.93Å; R57-E122 PolarHBondContact NH2-OE2 2.84Å; P118-E122 WeakPolarHBondContact O-CB 3.38Å; P118-E122 PolarHBondContact O-N 3.23Å; Q119-E122 PolarHBondContact O-N 3.03Å; T120-E122 VanDerWaalsContact C-N 3.34Å; T120-E122 PolarHBondContact O-N 2.87Å; E122-G125 WeakPolarHBondContact O-CA 3.42Å; E122-G125 PolarHBondContact O-N 2.96Å; E122-L126 PolarHBondContact O-N 3.38Å
123V95.1Very high91.7Very high2 Ų242 Ų421%0.01225%0.247CC..Hα-helixtrans-75.6-40.1-169-1760000112.2L58 L81 Q119 T120 G125 L126 F160L58-V123 HydrophobicContact CD1-CG2 4.16Å; L58-V123 HydrophobicContact CD2-CG2 3.55Å; L81-V123 HydrophobicContact CD1-CG1 3.4Å; L81-V123 HydrophobicContact CD2-CG1 3.77Å; L81-V123 HydrophobicContact CG-CG1 4.19Å; Q119-V123 VanDerWaalsContact O-CG2 3.26Å; Q119-V123 WeakPolarHBondContact O-CG2 3.43Å; Q119-V123 PolarHBondContact O-N 2.98Å; T120-V123 PolarHBondContact O-N 2.91Å; V123-G125 VanDerWaalsContact C-N 3.26Å; V123-L126 WeakPolarHBondContact O-CB 3.49Å; V123-L126 PolarHBondContact O-N 3.38Å; V123-F160 HydrophobicContact CG1-CE1 3.69Å; V123-F160 HydrophobicContact CG1-CZ 3.94Å
124F94.9Very high90.6Very high3 Ų343.8 Ų43.81%0.01327%0.266CS..Hα-helixtrans-72.5-23.3170.5-77.1-82.7000112L81 A84 I100 F107 V111 T120 L126 L127 G128 Y129 L139L81-F124 HydrophobicContact CD2-CD1 4.08Å; L81-F124 HydrophobicContact CD2-CD2 4.04Å; L81-F124 HydrophobicContact CD2-CE1 3.72Å; L81-F124 HydrophobicContact CD2-CE2 3.69Å; L81-F124 HydrophobicContact CD2-CG 4.24Å; L81-F124 HydrophobicContact CD2-CZ 3.53Å; A84-F124 HydrophobicContact CB-CE1 4.39Å; I100-F124 HydrophobicContact CD1-CD1 3.38Å; I100-F124 HydrophobicContact CD1-CE1 3.35Å; I100-F124 HydrophobicContact CD1-CG 4.48Å; I100-F124 HydrophobicContact CD1-CZ 4.42Å; F107-F124 AromaticContact CE2-CE2 3.86Å; F107-F124 HydrophobicContact CE2-CE2 3.86Å; F107-F124 HydrophobicContact CE2-CZ 4.14Å; V111-F124 HydrophobicContact CG1-CE2 4.06Å; T120-F124 HydrophobicContact CG2-CD2 3.69Å; T120-F124 HydrophobicContact CG2-CE2 4.1Å; T120-F124 WeakPolarHBondContact O-CB 3.36Å; T120-F124 WeakPolarHBondContact O-CD2 3.45Å; T120-F124 PolarHBondContact O-N 3.01Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 3.48Å; F124-L127 WeakPolarHBondContact O-CB 3.4Å; F124-L127 PolarHBondContact O-N 2.74Å; F124-L127 VanDerWaalsContact O-N 3.09Å; F124-G128 PolarHBondContact O-N 3.42Å; F124-Y129 HydrophobicContact CB-CD2 4.34Å; F124-Y129 HydrophobicContact CD1-CD2 4.14Å; F124-Y129 WeakPolarHBondContact O-CB 3.46Å; F124-Y129 PolarHBondContact O-N 2.9Å; F124-Y129 VanDerWaalsContact O-N 3.12Å; F124-L139 HydrophobicContact CB-CD1 3.85Å; F124-L139 HydrophobicContact CD1-CD1 4.31Å; F124-L139 HydrophobicContact CD2-CD1 3.91Å; F124-L139 HydrophobicContact CG-CD1 3.76Å
125G93.6Very high89.5Confident17 Ų1749 Ų4918%0.17529%0.29CS..Hα-helixtrans-60.9-33.417100000113.3E121 E122 V123 L127 G128 Y129E121-G125 VanDerWaalsContact O-CA 3.22Å; E121-G125 WeakPolarHBondContact O-CA 3.36Å; E121-G125 PolarHBondContact O-N 3.08Å; E122-G125 WeakPolarHBondContact O-CA 3.42Å; E122-G125 PolarHBondContact O-N 2.96Å; V123-G125 VanDerWaalsContact C-N 3.26Å; G125-L127 PolarHBondContact O-N 2.83Å; G125-G128 PolarHBondContact O-N 2.76Å; G125-Y129 WeakPolarHBondContact CA-O 3.38Å
126L93.3Very high88.4Confident63 Ų6354 Ų5433%0.3332%0.322SS..THydrogen-bonded Turntrans-59.6-30.1173.1-59.2175.9000112.4L53 E122 V123 F124 G128 L156L53-L126 HydrophobicContact CD1-CD1 3.84Å; E122-L126 PolarHBondContact O-N 3.38Å; V123-L126 WeakPolarHBondContact O-CB 3.49Å; V123-L126 PolarHBondContact O-N 3.38Å; F124-L126 VanDerWaalsContact C-N 3.27Å; F124-L126 PolarHBondContact O-N 3.48Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-L156 HydrophobicContact CB-CD1 4.23Å; L126-L156 HydrophobicContact CB-CD2 4.33Å; L126-L156 HydrophobicContact CD1-CD2 4.42Å; L126-L156 WeakPolarHBondContact O-CD1 3.35Å
127L93.3Very high88.1Confident0 Ų060.9 Ų60.90%034%0.342CS..THydrogen-bonded Turntrans-88.71.2177.3-60.9177.4000113.1A84 A85 L88 F124 G125 Y129 L141 L153 L156 F160A84-L127 HydrophobicContact CB-CD1 3.85Å; A85-L127 HydrophobicContact CB-CD2 3.7Å; L88-L127 HydrophobicContact CD1-CB 4.08Å; F124-L127 WeakPolarHBondContact O-CB 3.4Å; F124-L127 PolarHBondContact O-N 2.74Å; F124-L127 VanDerWaalsContact O-N 3.09Å; G125-L127 PolarHBondContact O-N 2.83Å; L127-Y129 HydrophobicContact CB-CD2 3.75Å; L127-Y129 HydrophobicContact CB-CE2 3.86Å; L127-Y129 HydrophobicContact CD1-CE2 4.35Å; L127-L141 WeakPolarHBondContact O-CD1 3.38Å; L127-L153 HydrophobicContact CD2-CD2 3.95Å; L127-L156 HydrophobicContact CD2-CB 4.3Å; L127-L156 HydrophobicContact CD2-CD1 3.88Å; L127-F160 HydrophobicContact CD1-CE2 4.41Å; L127-F160 HydrophobicContact CD2-CE2 4.21Å; L127-F160 HydrophobicContact CG-CE2 4.44Å
128G92.1Very high88Confident19 Ų1958.8 Ų58.820%0.19632%0.322CS..THydrogen-bonded Turntrans89.39-179.500000114.9F124 G125 L126 Q142F124-G128 PolarHBondContact O-N 3.42Å; G125-G128 PolarHBondContact O-N 2.76Å; L126-G128 VanDerWaalsContact C-N 3.33Å; G128-Q142 PolarHBondContact O-N 3.4Å
129Y92.9Very high88Confident7 Ų754.7 Ų54.73%0.02730%0.295CS..EExtended strand (participates in β ladder)trans-84.1144.3175.3-64.4-82.7000112.1L88 Y97 I100 F124 G125 L127 L139 H140 L141L88-Y129 HydrophobicContact CD1-CE2 3.73Å; Y97-Y129 VanDerWaalsContact O-CE1 3.29Å; Y97-Y129 WeakPolarHBondContact O-CE1 3.26Å; Y97-Y129 PolarHBondContact O-OH 3.25Å; I100-Y129 HydrophobicContact CD1-CD1 4.09Å; I100-Y129 HydrophobicContact CD1-CD2 3.89Å; I100-Y129 HydrophobicContact CD1-CE1 3.8Å; I100-Y129 HydrophobicContact CD1-CE2 3.58Å; I100-Y129 HydrophobicContact CD1-CG 4.15Å; I100-Y129 HydrophobicContact CG1-CD1 4.21Å; I100-Y129 HydrophobicContact CG1-CE1 3.76Å; I100-Y129 HydrophobicContact CG1-CE2 4.41Å; F124-Y129 HydrophobicContact CB-CD2 4.34Å; F124-Y129 HydrophobicContact CD1-CD2 4.14Å; F124-Y129 WeakPolarHBondContact O-CB 3.46Å; F124-Y129 PolarHBondContact O-N 2.9Å; F124-Y129 VanDerWaalsContact O-N 3.12Å; G125-Y129 WeakPolarHBondContact CA-O 3.38Å; L127-Y129 HydrophobicContact CB-CD2 3.75Å; L127-Y129 HydrophobicContact CB-CE2 3.86Å; L127-Y129 HydrophobicContact CD1-CE2 4.35Å; Y129-L139 HydrophobicContact CD1-CB 4.4Å; Y129-L139 HydrophobicContact CG-CB 4.47Å; Y129-H140 WeakPolarHBondContact CA-O 3.33Å; Y129-L141 HydrophobicContact CD1-CB 4.06Å; Y129-L141 HydrophobicContact CE1-CB 3.91Å; Y129-L141 HydrophobicContact CE1-CD1 4.42Å
130R90.9Very high87.9Confident142 Ų14256.7 Ų56.754%0.53631%0.305SS..EExtended strand (participates in β ladder)trans-134.9151.9171.2-62.2-67.7-177.4172.8-1.5110.8L139 H140 Q142R130-L139 CarbonylContact O-C 3.55Å; R130-L139 WeakPolarHBondContact O-CA 3.46Å; R130-H140 PolarHBondContact N-O 3.34Å; R130-H140 PolarHBondContact O-N 3.08Å; R130-Q142 HydrophobicContact CB-CG 3.98Å; R130-Q142 HydrophobicContact CG-CG 3.53Å
131P89.1Confident87.6Confident39 Ų3957.8 Ų57.825%0.25331%0.31SS..EExtended strand (participates in β ladder)trans-56.1139.1171-22.432000111.8E121 L139E121-P131 HydrophobicContact CG-CG 3.52Å; E121-P131 WeakPolarHBondContact OE1-CG 3.17Å; P131-L139 HydrophobicContact CG-CD2 4.2Å
132G79.3Confident87.3Confident7 Ų757.6 Ų57.67%0.07231%0.309CS..  trans-70.1135.5172.100000111.3A134 Q135 L138G132-A134 PolarHBondContact O-N 2.94Å; G132-A134 VanDerWaalsContact O-N 3.14Å; G132-Q135 CarbonylContact O-C 3.46Å; G132-Q135 PolarHBondContact O-N 2.96Å; G132-L138 PolarHBondContact N-O 3.25Å; G132-L138 VanDerWaalsContact N-O 3.13Å
133P71.4Confident86Confident145 Ų14559.5 Ų59.594%0.94233%0.329SS*.SBendtrans-62.4-25.2-176.223-33000113.9
134A71.4Confident83.8Confident93 Ų9364.7 Ų64.777%0.76937%0.372SS*.SBendtrans-107.5-14177.900000113.9G132G132-A134 PolarHBondContact O-N 2.94Å; G132-A134 VanDerWaalsContact O-N 3.14Å
135Q72.4Confident81.7Confident114 Ų11467.8 Ų67.853%0.53341%0.405SS..  trans-134.681.2-171.6-62.8-17331.300110.2G132 R137 L138G132-Q135 CarbonylContact O-C 3.46Å; G132-Q135 PolarHBondContact O-N 2.96Å; Q135-R137 PolarHBondContact O-N 3.41Å; Q135-L138 HydrophobicContact CB-CB 4.37Å; Q135-L138 HydrophobicContact CB-CD1 4.23Å; Q135-L138 HydrophobicContact CB-CG 4.22Å; Q135-L138 PolarHBondContact O-N 2.8Å
136T74.2Confident79.7Confident114 Ų11468.6 Ų68.670%0.69941%0.413SS*.THydrogen-bonded Turntrans-62.2-11.4-175.856.60000114.9
137R85.2Confident78Confident180 Ų18068.4 Ų68.468%0.67942%0.415SS*.THydrogen-bonded Turntrans-96.46.2175.9-63.2-174.6-180171.80.3113.7M102 Q135M102-R137 VanDerWaalsContact CB-O 3.24Å; M102-R137 WeakPolarHBondContact CB-O 3.28Å; M102-R137 VanDerWaalsContact CG-O 3.31Å; M102-R137 WeakPolarHBondContact CG-O 3.33Å; M102-R137 PolarHBondContact N-O 3.01Å; Q135-R137 PolarHBondContact O-N 3.41Å
138L90.7Very high76.7Confident15 Ų1569.4 Ų69.48%0.07942%0.423CS..EExtended strand (participates in β ladder)trans-121.3136175.4-62.1-171.2000110.3V99 I100 K101 Y103 G132 Q135 H140V99-L138 HydrophobicContact CG1-CB 4.23Å; V99-L138 HydrophobicContact CG1-CD1 4.02Å; V99-L138 HydrophobicContact CG1-CD2 4.13Å; V99-L138 HydrophobicContact CG1-CG 4.38Å; I100-L138 WeakPolarHBondContact O-CA 3.44Å; K101-L138 HydrophobicContact CB-CD2 4.18Å; K101-L138 HydrophobicContact CG-CD2 3.74Å; Y103-L138 HydrophobicContact CE1-CD2 3.72Å; G132-L138 PolarHBondContact N-O 3.25Å; G132-L138 VanDerWaalsContact N-O 3.13Å; Q135-L138 HydrophobicContact CB-CB 4.37Å; Q135-L138 HydrophobicContact CB-CD1 4.23Å; Q135-L138 HydrophobicContact CB-CG 4.22Å; Q135-L138 PolarHBondContact O-N 2.8Å; L138-H140 WeakPolarHBondContact CB-NE2 3.35Å
139L91.8Very high76.1Confident3 Ų370.8 Ų70.82%0.01643%0.43CS..EExtended strand (participates in β ladder)trans-105124.4168.6-53.1171.2000108.7V99 I100 M102 F107 T120 F124 Y129 R130 P131V99-L139 CarbonylContact C-O 3.53Å; V99-L139 WeakPolarHBondContact CA-O 3.36Å; I100-L139 HydrophobicContact CB-CB 4.19Å; I100-L139 PolarHBondContact N-O 3.3Å; I100-L139 PolarHBondContact O-N 3.16Å; M102-L139 HydrophobicContact CG-CG 4.36Å; M102-L139 HydrophobicContact SD-CD2 4.33Å; M102-L139 HydrophobicContact SD-CG 4.21Å; F107-L139 HydrophobicContact CE2-CD1 4.48Å; T120-L139 HydrophobicContact CG2-CD1 3.93Å; F124-L139 HydrophobicContact CB-CD1 3.85Å; F124-L139 HydrophobicContact CD1-CD1 4.31Å; F124-L139 HydrophobicContact CD2-CD1 3.91Å; F124-L139 HydrophobicContact CG-CD1 3.76Å; Y129-L139 HydrophobicContact CD1-CB 4.4Å; Y129-L139 HydrophobicContact CG-CB 4.47Å; R130-L139 CarbonylContact O-C 3.55Å; R130-L139 WeakPolarHBondContact O-CA 3.46Å; P131-L139 HydrophobicContact CG-CD2 4.2Å
140H91.6Very high75.5Confident59 Ų5974.6 Ų74.627%0.27346%0.455SS..EExtended strand (participates in β ladder)trans-110130.3-175.9-69.8-97.4000110.9Y129 R130 L138 Q142Y129-H140 WeakPolarHBondContact CA-O 3.33Å; R130-H140 PolarHBondContact N-O 3.34Å; R130-H140 PolarHBondContact O-N 3.08Å; L138-H140 WeakPolarHBondContact CB-NE2 3.35Å; H140-Q142 PolarHBondContact O-N 3.27Å; H140-Q142 PolarHBondContact O-NE2 3.34Å
141L90.5Very high75.2Confident27 Ų2776 Ų7614%0.14146%0.461CS..EExtended strand (participates in β ladder)trans-66.1127.6172.3-172.469.1000109.4L88 R98 L127 Y129L88-L141 HydrophobicContact CD1-CD1 4.32Å; L88-L141 HydrophobicContact CD2-CD2 3.94Å; R98-L141 PolarHBondContact O-N 2.94Å; L127-L141 WeakPolarHBondContact O-CD1 3.38Å; Y129-L141 HydrophobicContact CD1-CB 4.06Å; Y129-L141 HydrophobicContact CE1-CB 3.91Å; Y129-L141 HydrophobicContact CE1-CD1 4.42Å
142Q85.9Confident75.2Confident80 Ų8078.2 Ų78.237%0.37447%0.468SS..  trans-82.4134.1-172.7-64.1-58.1-64.900112.9G128 R130 H140G128-Q142 PolarHBondContact O-N 3.4Å; R130-Q142 HydrophobicContact CB-CG 3.98Å; R130-Q142 HydrophobicContact CG-CG 3.53Å; H140-Q142 PolarHBondContact O-N 3.27Å; H140-Q142 PolarHBondContact O-NE2 3.34Å
143P66.1Low75.7Confident121 Ų12178.1 Ų78.179%0.78647%0.466SS*.G310 helixtrans-72.9-36177.6-16.128.9000114.1G145P143-G145 VanDerWaalsContact C-N 3.32Å; P143-G145 PolarHBondContact O-N 2.85Å
144A48.3Very low76.7Confident111 Ų11171.8 Ų71.892%0.91742%0.424SS*.G310 helixtrans-86.97.4-167.800000115.1
145G51.7Low77.7Confident68 Ų6871.1 Ų71.170%0.70140%0.402SS*.G310 helixtrans-1264.9171.400000113.7P143P143-G145 VanDerWaalsContact C-N 3.32Å; P143-G145 PolarHBondContact O-N 2.85Å
146G52.5Low78.8Confident33 Ų3366.4 Ų66.434%0.3438%0.38SS..  trans57.7162.9-167.700000113.3
147P55.8Low79.9Confident60 Ų6061 Ų6139%0.3935%0.346SS..SBendtrans-56144.815426.5-30.4000107.7S149 L153P147-S149 PolarHBondContact O-N 3.47Å; P147-L153 HydrophobicContact CB-CD1 4.45Å
148A67Low80.4Confident20 Ų2052.4 Ų52.417%0.16531%0.314CS..PPolyproline II helixtrans-46.8143.616900000108.5E152 L153A148-E152 HydrophobicContact CB-CB 3.95Å; A148-L153 HydrophobicContact CB-CD2 4Å; A148-L153 HydrophobicContact CB-CG 4.03Å; A148-L153 VanDerWaalsContact O-CD1 3.25Å; A148-L153 WeakPolarHBondContact O-CD1 3.44Å; A148-L153 WeakPolarHBondContact O-CG 3.45Å
149S80.4Confident80.7Confident48 Ų4851.9 Ų51.934%0.33631%0.312SS..PPolyproline II helixtrans-52.2148.6-17562.50000109.7P147 R151 E152 L153P147-S149 PolarHBondContact O-N 3.47Å; S149-R151 CarbonylContact O-C 3.59Å; S149-R151 PolarHBondContact O-N 3.06Å; S149-E152 WeakPolarHBondContact CB-OE2 3.4Å; S149-E152 PolarHBondContact N-OE2 2.86Å; S149-E152 WeakPolarHBondContact O-CA 3.4Å; S149-E152 WeakPolarHBondContact O-CB 3.38Å; S149-E152 PolarHBondContact O-N 3.41Å; S149-E152 WeakPolarHBondContact OG-CG 3.44Å; S149-E152 PolarHBondContact OG-N 3.04Å; S149-E152 PolarHBondContact OG-OE2 3.29Å; S149-L153 PolarHBondContact O-N 2.96Å
150P79.8Confident81Confident87 Ų8751.7 Ų51.757%0.56531%0.311SS*.Hα-helixtrans-50.6-36-177.7-29.635.1000112.9Y89 L153 L154Y89-P150 HydrophobicContact CD2-CB 4.03Å; Y89-P150 VanDerWaalsContact CD2-O 3.23Å; Y89-P150 WeakPolarHBondContact CD2-O 3.24Å; Y89-P150 HydrophobicContact CE2-CB 4.04Å; Y89-P150 WeakPolarHBondContact CE2-O 3.36Å; P150-L153 PolarHBondContact O-N 3.29Å; P150-L154 WeakPolarHBondContact O-CB 3.03Å; P150-L154 PolarHBondContact O-N 3.42Å
151R83.9Confident81.2Confident171 Ų17149.1 Ų49.165%0.64530%0.299SS*.Hα-helixtrans-64.8-39.6174.3-169.2175.8179-1791.3113.3S149 R155S149-R151 CarbonylContact O-C 3.59Å; S149-R151 PolarHBondContact O-N 3.06Å; R151-R155 VanDerWaalsContact CD-NH2 3.27Å; R151-R155 VanDerWaalsContact O-CG 3.31Å; R151-R155 WeakPolarHBondContact O-CG 3.23Å; R151-R155 PolarHBondContact O-N 3Å
152E89.3Confident81.5Confident87 Ų8747.9 Ų47.941%0.40729%0.292SS..Hα-helixtrans-69.6-40174.9-74160.9161.600112.1A148 S149 L154 R155 L156A148-E152 HydrophobicContact CB-CB 3.95Å; S149-E152 WeakPolarHBondContact CB-OE2 3.4Å; S149-E152 PolarHBondContact N-OE2 2.86Å; S149-E152 WeakPolarHBondContact O-CA 3.4Å; S149-E152 WeakPolarHBondContact O-CB 3.38Å; S149-E152 PolarHBondContact O-N 3.41Å; S149-E152 WeakPolarHBondContact OG-CG 3.44Å; S149-E152 PolarHBondContact OG-N 3.04Å; S149-E152 PolarHBondContact OG-OE2 3.29Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.4Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 2.98Å; E152-L156 WeakPolarHBondContact O-CB 3.36Å; E152-L156 WeakPolarHBondContact O-CG 3.41Å; E152-L156 PolarHBondContact O-N 3.3Å
153L90.7Very high82.1Confident4 Ų444 Ų442%0.02128%0.275CS..Hα-helixtrans-62.1-42.7175.4-70169.7000111.6L88 L127 P147 A148 S149 P150 L156 A157L88-L153 HydrophobicContact CB-CD1 3.81Å; L88-L153 HydrophobicContact CB-CD2 3.99Å; L88-L153 HydrophobicContact CD1-CD2 4.1Å; L127-L153 HydrophobicContact CD2-CD2 3.95Å; P147-L153 HydrophobicContact CB-CD1 4.45Å; A148-L153 HydrophobicContact CB-CD2 4Å; A148-L153 HydrophobicContact CB-CG 4.03Å; A148-L153 VanDerWaalsContact O-CD1 3.25Å; A148-L153 WeakPolarHBondContact O-CD1 3.44Å; A148-L153 WeakPolarHBondContact O-CG 3.45Å; S149-L153 PolarHBondContact O-N 2.96Å; P150-L153 PolarHBondContact O-N 3.29Å; L153-L156 PolarHBondContact O-N 3.46Å; L153-A157 WeakPolarHBondContact O-CB 3.39Å; L153-A157 PolarHBondContact O-N 3.39Å
154L91.3Very high83.6Confident13 Ų1338.3 Ų38.37%0.06824%0.237CC..Hα-helixtrans-64.2-41.5174.1-177.964.5000111.9V7 Y10 D11 L14 Y89 P150 E152 A157 C158V7-L154 HydrophobicContact CG1-CD2 4.34Å; V7-L154 HydrophobicContact CG1-CG 4.24Å; Y10-L154 HydrophobicContact CD1-CD1 4.09Å; Y10-L154 HydrophobicContact CE1-CD1 4.17Å; D11-L154 HydrophobicContact CB-CD2 3.99Å; D11-L154 WeakPolarHBondContact OD1-CD2 3.18Å; L14-L154 HydrophobicContact CD2-CD1 4.13Å; Y89-L154 HydrophobicContact CD1-CD1 4.37Å; Y89-L154 HydrophobicContact CD2-CB 4.23Å; Y89-L154 HydrophobicContact CE1-CD1 4.03Å; Y89-L154 HydrophobicContact CE2-CB 4.1Å; P150-L154 WeakPolarHBondContact O-CB 3.03Å; P150-L154 PolarHBondContact O-N 3.42Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.4Å; L154-A157 PolarHBondContact O-N 2.77Å; L154-C158 PolarHBondContact O-N 2.89Å
155R93.4Very high85.9Confident79 Ų7933 Ų3330%0.29819%0.194SC..Hα-helixtrans-60.6-44.1173.2-76.2-173.7-140.2125.5-0.5111.8V7 R151 E152 C158 A159V7-R155 HydrophobicContact CG1-CG 4.23Å; V7-R155 HydrophobicContact CG2-CG 4.14Å; R151-R155 VanDerWaalsContact CD-NH2 3.27Å; R151-R155 VanDerWaalsContact O-CG 3.31Å; R151-R155 WeakPolarHBondContact O-CG 3.23Å; R151-R155 PolarHBondContact O-N 3Å; E152-R155 WeakPolarHBondContact O-CB 3.41Å; E152-R155 PolarHBondContact O-N 2.98Å; R155-C158 CarbonylContact O-C 3.58Å; R155-C158 WeakPolarHBondContact O-CB 3.28Å; R155-C158 PolarHBondContact O-N 2.86Å; R155-A159 WeakPolarHBondContact O-CB 3.44Å; R155-A159 PolarHBondContact O-N 2.69Å
156L95.3Very high88Confident14 Ų1429.8 Ų29.87%0.07316%0.16CC..Hα-helixtrans-66.4-39.9178-75171.5000111.7L126 L127 E152 L153 C158 A159 F160L126-L156 HydrophobicContact CB-CD1 4.23Å; L126-L156 HydrophobicContact CB-CD2 4.33Å; L126-L156 HydrophobicContact CD1-CD2 4.42Å; L126-L156 WeakPolarHBondContact O-CD1 3.35Å; L127-L156 HydrophobicContact CD2-CB 4.3Å; L127-L156 HydrophobicContact CD2-CD1 3.88Å; E152-L156 WeakPolarHBondContact O-CB 3.36Å; E152-L156 WeakPolarHBondContact O-CG 3.41Å; E152-L156 PolarHBondContact O-N 3.3Å; L153-L156 PolarHBondContact O-N 3.46Å; L156-C158 VanDerWaalsContact C-N 3.33Å; L156-C158 PolarHBondContact O-N 3.38Å; L156-A159 WeakPolarHBondContact O-CB 3.35Å; L156-A159 PolarHBondContact O-N 3.17Å; L156-A159 VanDerWaalsContact O-N 3.12Å; L156-F160 HydrophobicContact CB-CE2 4.21Å; L156-F160 WeakPolarHBondContact O-CD2 3.32Å; L156-F160 WeakPolarHBondContact O-CG 3.3Å; L156-F160 PolarHBondContact O-N 3.12Å
157A96.1Very high90.2Very high0 Ų028.2 Ų28.20%014%0.144CC..Hα-helixtrans-57.5-47.3172.400000111.1Y10 A85 L86 L153 L154 A159 F160 F161Y10-A157 HydrophobicContact CE1-CB 4.14Å; A85-A157 HydrophobicContact CB-CB 3.84Å; L86-A157 HydrophobicContact CD2-CB 3.85Å; L86-A157 HydrophobicContact CG-CB 4.06Å; L153-A157 WeakPolarHBondContact O-CB 3.39Å; L153-A157 PolarHBondContact O-N 3.39Å; L154-A157 PolarHBondContact O-N 2.77Å; A157-A159 PolarHBondContact O-N 2.64Å; A157-F160 PolarHBondContact O-N 3.44Å; A157-F161 PolarHBondContact O-N 3.29Å
158C96.1Very high92.1Very high1 Ų128.7 Ų28.71%0.00714%0.138CC..Hα-helixtrans-61.2-41.5173.1-173.10000111.9V7 Y10 L51 L154 R155 L156 F160 F161 L162V7-C158 HydrophobicContact CG2-CB 4.13Å; Y10-C158 HydrophobicContact CD1-CB 4.13Å; Y10-C158 HydrophobicContact CG-CB 4.07Å; L51-C158 HydrophobicContact CD1-CB 4.23Å; L154-C158 PolarHBondContact O-N 2.89Å; R155-C158 CarbonylContact O-C 3.58Å; R155-C158 WeakPolarHBondContact O-CB 3.28Å; R155-C158 PolarHBondContact O-N 2.86Å; L156-C158 VanDerWaalsContact C-N 3.33Å; L156-C158 PolarHBondContact O-N 3.38Å; C158-F160 PolarHBondContact O-N 3.3Å; C158-F161 WeakPolarHBondContact O-CB 3.47Å; C158-F161 PolarHBondContact O-N 2.91Å; C158-L162 WeakPolarHBondContact O-CG 3.38Å; C158-L162 PolarHBondContact O-N 3.46Å
159A96.4Very high93.5Very high3 Ų328.7 Ų28.73%0.02514%0.135CC..Hα-helixtrans-61.2-43.1177.800000112.4L51 L53 R155 L156 A157 L162 A163L51-A159 HydrophobicContact CB-CB 3.72Å; L53-A159 HydrophobicContact CB-CB 3.98Å; L53-A159 HydrophobicContact CD2-CB 4.41Å; R155-A159 WeakPolarHBondContact O-CB 3.44Å; R155-A159 PolarHBondContact O-N 2.69Å; L156-A159 WeakPolarHBondContact O-CB 3.35Å; L156-A159 PolarHBondContact O-N 3.17Å; L156-A159 VanDerWaalsContact O-N 3.12Å; A157-A159 PolarHBondContact O-N 2.64Å; A159-L162 PolarHBondContact O-N 3.45Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 3.23Å
160F98.1Very high94.2Very high0 Ų026.4 Ų26.40%012%0.119CC..Hα-helixtrans-67.1-37.3174.8-65.7-50.6000112.1L53 F78 L81 E82 A85 V123 L127 L156 A157 C158 A163 R164L53-F160 HydrophobicContact CD1-CE1 4.1Å; L53-F160 HydrophobicContact CD2-CD1 3.59Å; L53-F160 HydrophobicContact CD2-CE1 3.75Å; L53-F160 HydrophobicContact CG-CE1 4.48Å; F78-F160 AromaticContact CD1-CD1 3.9Å; F78-F160 HydrophobicContact CD1-CD1 3.9Å; F78-F160 HydrophobicContact CE1-CD1 4.49Å; L81-F160 HydrophobicContact CB-CB 4.46Å; L81-F160 HydrophobicContact CB-CD1 3.74Å; L81-F160 HydrophobicContact CB-CD2 3.82Å; L81-F160 HydrophobicContact CB-CE1 3.84Å; L81-F160 HydrophobicContact CB-CE2 3.91Å; L81-F160 HydrophobicContact CB-CG 3.75Å; L81-F160 HydrophobicContact CB-CZ 3.92Å; L81-F160 HydrophobicContact CD1-CD1 4.12Å; L81-F160 HydrophobicContact CD1-CE1 3.87Å; L81-F160 HydrophobicContact CD1-CZ 4.45Å; L81-F160 HydrophobicContact CD2-CZ 4.46Å; L81-F160 HydrophobicContact CG-CE1 4.35Å; E82-F160 HydrophobicContact CB-CB 3.82Å; A85-F160 HydrophobicContact CB-CD2 4.31Å; A85-F160 HydrophobicContact CB-CE2 4.39Å; V123-F160 HydrophobicContact CG1-CE1 3.69Å; V123-F160 HydrophobicContact CG1-CZ 3.94Å; L127-F160 HydrophobicContact CD1-CE2 4.41Å; L127-F160 HydrophobicContact CD2-CE2 4.21Å; L127-F160 HydrophobicContact CG-CE2 4.44Å; L156-F160 HydrophobicContact CB-CE2 4.21Å; L156-F160 WeakPolarHBondContact O-CD2 3.32Å; L156-F160 WeakPolarHBondContact O-CG 3.3Å; L156-F160 PolarHBondContact O-N 3.12Å; A157-F160 PolarHBondContact O-N 3.44Å; C158-F160 PolarHBondContact O-N 3.3Å; F160-A163 PolarHBondContact O-N 2.93Å; F160-R164 WeakPolarHBondContact O-CB 3.42Å; F160-R164 PolarHBondContact O-N 3.26Å
161F97.8Very high95Very high4 Ų424.6 Ų24.62%0.01811%0.105CC..Hα-helixtrans-59.8-47.4171.1170.1-106.8000111.8Y10 C27 L32 R33 V36 A157 C158 A163 R164 C165Y10-F161 HydrophobicContact CD2-CB 4.15Å; Y10-F161 AromaticContact CD2-CD1 3.74Å; Y10-F161 HydrophobicContact CD2-CD1 3.74Å; Y10-F161 HydrophobicContact CD2-CE1 4.28Å; Y10-F161 AromaticContact CD2-CG 3.92Å; Y10-F161 HydrophobicContact CD2-CG 3.92Å; Y10-F161 HydrophobicContact CE2-CB 3.62Å; Y10-F161 HydrophobicContact CE2-CD1 4Å; Y10-F161 HydrophobicContact CE2-CD2 4.16Å; Y10-F161 AromaticContact CE2-CG 3.67Å; Y10-F161 HydrophobicContact CE2-CG 3.67Å; C27-F161 HydrophobicContact CB-CD2 3.89Å; C27-F161 HydrophobicContact CB-CE2 3.99Å; L32-F161 HydrophobicContact CD2-CE1 3.96Å; L32-F161 HydrophobicContact CD2-CZ 4.04Å; L32-F161 HydrophobicContact CG-CE1 4.02Å; L32-F161 HydrophobicContact CG-CZ 4.02Å; R33-F161 HydrophobicContact CB-CZ 4.45Å; V36-F161 HydrophobicContact CB-CE1 4.45Å; V36-F161 HydrophobicContact CG2-CE1 4.02Å; A157-F161 PolarHBondContact O-N 3.29Å; C158-F161 WeakPolarHBondContact O-CB 3.47Å; C158-F161 PolarHBondContact O-N 2.91Å; F161-A163 PolarHBondContact O-N 3.43Å; F161-R164 WeakPolarHBondContact O-CB 3.47Å; F161-R164 PolarHBondContact O-N 3.46Å; F161-C165 PolarHBondContact O-N 3.46Å; F161-C165 PolarHBondContact O-SG 3.32Å
162L96.3Very high95.5Very high1 Ų120.1 Ų20.11%0.00510%0.104CC..Hα-helixtrans-61.6-44176.2-66.7-176.5000111.7L6 V36 L48 L51 C158 A159 R164 C165 E166L6-L162 HydrophobicContact CD1-CD1 4.2Å; L6-L162 HydrophobicContact CD1-CD2 4.25Å; V36-L162 HydrophobicContact CB-CD2 4.4Å; V36-L162 HydrophobicContact CG1-CD2 3.39Å; V36-L162 HydrophobicContact CG2-CD2 4.07Å; L48-L162 WeakPolarHBondContact O-CD1 3.33Å; L51-L162 HydrophobicContact CD1-CD1 3.68Å; C158-L162 WeakPolarHBondContact O-CG 3.38Å; C158-L162 PolarHBondContact O-N 3.46Å; A159-L162 PolarHBondContact O-N 3.45Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 3.24Å; L162-C165 PolarHBondContact O-N 2.86Å; L162-E166 WeakPolarHBondContact O-CB 3.47Å; L162-E166 PolarHBondContact O-N 3.37Å
163A97.3Very high95.7Very high0 Ų017.9 Ų17.90%010%0.101CC..Hα-helixtrans-60.8-39.3177.100000111.9L53 P55 M59 F78 A159 F160 F161 E166 C167L53-A163 HydrophobicContact CD2-CB 4.07Å; P55-A163 HydrophobicContact CB-CB 3.59Å; P55-A163 HydrophobicContact CG-CB 4.36Å; M59-A163 HydrophobicContact CE-CB 4.11Å; M59-A163 WeakPolarHBondContact CE-O 3.47Å; F78-A163 HydrophobicContact CD1-CB 3.91Å; F78-A163 HydrophobicContact CD2-CB 3.75Å; F78-A163 HydrophobicContact CE1-CB 3.99Å; F78-A163 HydrophobicContact CE2-CB 3.84Å; F78-A163 HydrophobicContact CG-CB 3.8Å; F78-A163 HydrophobicContact CZ-CB 3.95Å; A159-A163 WeakPolarHBondContact O-CB 3.45Å; A159-A163 PolarHBondContact O-N 3.23Å; F160-A163 PolarHBondContact O-N 2.93Å; F161-A163 PolarHBondContact O-N 3.43Å; A163-E166 PolarHBondContact O-N 2.85Å; A163-C167 PolarHBondContact O-N 2.88Å; A163-C167 PolarHBondContact O-SG 3.33Å
164R97.4Very high95.8Very high1 Ų118.1 Ų18.10%0.00410%0.102CC..Hα-helixtrans-65.8-41.4174.4-178.4167.962.2114.63.7112.3C27 A75 F78 E79 E82 F160 F161 L162 R168C27-R164 PolarHBondContact O-NH2 2.8Å; A75-R164 HydrophobicContact CB-CG 4.27Å; A75-R164 VanDerWaalsContact O-CD 3.31Å; A75-R164 WeakPolarHBondContact O-CD 3.18Å; A75-R164 WeakPolarHBondContact O-CG 3.49Å; F78-R164 HydrophobicContact CB-CB 4Å; E79-R164 WeakPolarHBondContact OE2-CD 3.42Å; E79-R164 IonicContact OE2-CZ 3.53Å; E79-R164 IonicContact OE2-NE 2.66Å; E79-R164 IonicContact OE2-NH1 3.54Å; E79-R164 PolarHBondContact OE2-NH1 3.12Å; E82-R164 IonicContact OE1-NH2 3.76Å; E82-R164 IonicContact OE2-CZ 3.86Å; E82-R164 IonicContact OE2-NE 3.1Å; E82-R164 PolarHBondContact OE2-NE 3.47Å; E82-R164 IonicContact OE2-NH2 2.6Å; E82-R164 PolarHBondContact OE2-NH2 3.44Å; F160-R164 WeakPolarHBondContact O-CB 3.42Å; F160-R164 PolarHBondContact O-N 3.26Å; F161-R164 WeakPolarHBondContact O-CB 3.47Å; F161-R164 PolarHBondContact O-N 3.46Å; L162-R164 VanDerWaalsContact C-N 3.29Å; L162-R164 PolarHBondContact O-N 3.24Å; R164-R168 WeakPolarHBondContact O-CG 3.43Å; R164-R168 PolarHBondContact O-N 3.3Å
165C96.9Very high95.7Very high0 Ų020.1 Ų20.10%013%0.125CC..Hα-helixtrans-63.7-42.6174.4-62.90000111.3V36 E37 L40 F161 L162 C167 R168 L169V36-C165 HydrophobicContact CG1-CB 3.9Å; E37-C165 HydrophobicContact CG-CB 4.22Å; L40-C165 HydrophobicContact CD1-CB 3.94Å; F161-C165 PolarHBondContact O-N 3.46Å; F161-C165 PolarHBondContact O-SG 3.32Å; L162-C165 PolarHBondContact O-N 2.86Å; C165-C167 PolarHBondContact O-N 2.82Å; C165-R168 PolarHBondContact O-N 3.2Å; C165-L169 WeakPolarHBondContact O-CB 3.5Å; C165-L169 PolarHBondContact O-N 3.5Å
166E97Very high95Very high0 Ų026.6 Ų26.60%016%0.156CC..Hα-helixtrans-58.2-50175.9-175.969.8-172.300110.9L40 H49 L56 M59 L162 A163 R168 L169 L170 R190L40-E166 HydrophobicContact CD1-CB 4.34Å; L40-E166 WeakPolarHBondContact CD2-OE2 3.36Å; H49-E166 IonicContact NE2-OE2 3.38Å; L56-E166 HydrophobicContact CD2-CG 3.97Å; M59-E166 HydrophobicContact CE-CB 4.22Å; M59-E166 HydrophobicContact CE-CG 4.23Å; M59-E166 HydrophobicContact SD-CG 4.49Å; L162-E166 WeakPolarHBondContact O-CB 3.47Å; L162-E166 PolarHBondContact O-N 3.37Å; A163-E166 PolarHBondContact O-N 2.85Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.02Å; E166-L169 PolarHBondContact O-N 3.32Å; E166-L170 HydrophobicContact CG-CD1 4.39Å; E166-L170 HydrophobicContact CG-CG 4.47Å; E166-L170 VanDerWaalsContact O-CG 3.3Å; E166-L170 WeakPolarHBondContact O-CG 3.41Å; E166-L170 PolarHBondContact O-N 2.98Å; E166-R190 VanDerWaalsContact CD-NH2 3.31Å; E166-R190 IonicContact OE1-CZ 3.08Å; E166-R190 IonicContact OE1-NE 2.84Å; E166-R190 PolarHBondContact OE1-NE 3.01Å; E166-R190 IonicContact OE1-NH2 3.59Å; E166-R190 PolarHBondContact OE1-NH2 3.38Å; E166-R190 IonicContact OE2-CZ 3.56Å; E166-R190 IonicContact OE2-NH2 2.71Å; E166-R190 PolarHBondContact OE2-NH2 3.45Å
167C97.1Very high94Very high0 Ų031.6 Ų31.60%017%0.173CC..Hα-helixtrans-54.6-43.5175.7-70.60000112.8M59 L71 A75 A163 C165 L171M59-C167 VanDerWaalsContact CE-SG 3.54Å; L71-C167 HydrophobicContact CB-CB 4.36Å; L71-C167 HydrophobicContact CD2-CB 4.5Å; A75-C167 HydrophobicContact CB-CB 3.76Å; A163-C167 PolarHBondContact O-N 2.88Å; A163-C167 PolarHBondContact O-SG 3.33Å; C165-C167 PolarHBondContact O-N 2.82Å; C167-L171 WeakPolarHBondContact O-CB 3.29Å; C167-L171 VanDerWaalsContact O-CG 3.28Å; C167-L171 WeakPolarHBondContact O-CG 3.38Å; C167-L171 PolarHBondContact O-N 3.36Å
168R96.1Very high92.7Very high70 Ų7033.9 Ų33.926%0.26420%0.197SC..Hα-helixtrans-67.9-42.2179.9-72.9-180177.3134.72111.9E79 R164 C165 E166 L171 A172E79-R168 IonicContact OE2-NH2 3.43Å; E79-R168 PolarHBondContact OE2-NH2 3.13Å; R164-R168 WeakPolarHBondContact O-CG 3.43Å; R164-R168 PolarHBondContact O-N 3.3Å; C165-R168 PolarHBondContact O-N 3.2Å; E166-R168 VanDerWaalsContact C-N 3.28Å; E166-R168 PolarHBondContact O-N 3.02Å; R168-L171 PolarHBondContact O-N 3.46Å; R168-A172 WeakPolarHBondContact O-CB 3.03Å; R168-A172 PolarHBondContact O-N 3.31Å
169L96.3Very high92.1Very high19 Ų1935.3 Ų35.310%0.09921%0.212CC..Hα-helixtrans-60.4-47.4177-178.464.6000111.2E37 L40 A41 C165 E166 A172 A173 L196E37-L169 HydrophobicContact CB-CD1 4.31Å; L40-L169 HydrophobicContact CB-CD2 3.6Å; A41-L169 HydrophobicContact CB-CD1 4.46Å; A41-L169 HydrophobicContact CB-CD2 4.26Å; C165-L169 WeakPolarHBondContact O-CB 3.5Å; C165-L169 PolarHBondContact O-N 3.5Å; E166-L169 PolarHBondContact O-N 3.32Å; L169-A172 PolarHBondContact O-N 3.4Å; L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 2.73Å; L169-L196 HydrophobicContact CD1-CD2 3.66Å; L169-L196 HydrophobicContact CD2-CD2 4.06Å; L169-L196 HydrophobicContact CG-CD1 4.29Å; L169-L196 HydrophobicContact CG-CD2 3.73Å
170L96.1Very high91.7Very high0 Ų036.6 Ų36.60%022%0.223CC..Hα-helixtrans-64.3-42.3178.2-61.5-171.1000111.8L71 E166 A173 L174 V186 V187 R190 L196L71-L170 HydrophobicContact CD1-CB 3.79Å; L71-L170 HydrophobicContact CD1-CD1 4.36Å; E166-L170 HydrophobicContact CG-CD1 4.39Å; E166-L170 HydrophobicContact CG-CG 4.47Å; E166-L170 VanDerWaalsContact O-CG 3.3Å; E166-L170 WeakPolarHBondContact O-CG 3.41Å; E166-L170 PolarHBondContact O-N 2.98Å; L170-A173 PolarHBondContact O-N 3.37Å; L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.08Å; L170-V186 HydrophobicContact CD1-CG1 4.41Å; L170-V186 HydrophobicContact CD2-CG1 3.81Å; L170-V186 HydrophobicContact CG-CG1 4.48Å; L170-V187 HydrophobicContact CD1-CG2 3.7Å; L170-R190 HydrophobicContact CD1-CG 4.36Å; L170-R190 HydrophobicContact CD2-CG 3.81Å; L170-L196 HydrophobicContact CD2-CD1 3.52Å
171L95.3Very high91.3Very high50 Ų5043 Ų4326%0.26225%0.247SC..Hα-helixtrans-61.4-43.9174.4-77.7168.6000112.2L71 C72 C167 R168 A173 L174 G175L71-L171 HydrophobicContact CB-CD1 3.91Å; L71-L171 HydrophobicContact CB-CD2 3.93Å; L71-L171 HydrophobicContact CB-CG 3.71Å; L71-L171 HydrophobicContact CD1-CD2 4.45Å; L71-L171 HydrophobicContact CD1-CG 4.26Å; C72-L171 HydrophobicContact CB-CD1 4.08Å; C167-L171 WeakPolarHBondContact O-CB 3.29Å; C167-L171 VanDerWaalsContact O-CG 3.28Å; C167-L171 WeakPolarHBondContact O-CG 3.38Å; C167-L171 PolarHBondContact O-N 3.36Å; R168-L171 PolarHBondContact O-N 3.46Å; L171-A173 VanDerWaalsContact C-N 3.32Å; L171-A173 PolarHBondContact O-N 2.6Å; L171-L174 PolarHBondContact O-N 2.71Å; L171-G175 PolarHBondContact O-N 2.73Å; L171-G175 VanDerWaalsContact O-N 3.12Å
172A94.8Very high91.1Very high76 Ų7645.5 Ų45.563%0.62826%0.256SS*.Hα-helixtrans-62.5-40.817800000111.4R168 L169 G175R168-A172 WeakPolarHBondContact O-CB 3.03Å; R168-A172 PolarHBondContact O-N 3.31Å; L169-A172 PolarHBondContact O-N 3.4Å; A172-G175 PolarHBondContact O-N 2.67Å
173A94.5Very high91.1Very high41 Ų4146.4 Ų46.434%0.33926%0.261SS..Hα-helixtrans-68.4-35.4178.400000113.1L169 L170 L171 G175 L196 V200L169-A173 WeakPolarHBondContact O-CB 3.34Å; L169-A173 PolarHBondContact O-N 2.73Å; L170-A173 PolarHBondContact O-N 3.37Å; L171-A173 VanDerWaalsContact C-N 3.32Å; L171-A173 PolarHBondContact O-N 2.6Å; A173-G175 VanDerWaalsContact C-N 3.32Å; A173-L196 HydrophobicContact CB-CD1 3.88Å; A173-L196 HydrophobicContact CB-CD2 4.22Å; A173-L196 HydrophobicContact CB-CG 4.25Å; A173-V200 HydrophobicContact CB-CG2 3.96Å
174L92.6Very high91Very high8 Ų847.6 Ų47.64%0.04227%0.267CS..Hα-helixtrans-70.4-28.6174.9-73.4172.1000112.6L170 L171 K176 R177 W182 E183 V186L170-L174 WeakPolarHBondContact O-CG 3.49Å; L170-L174 PolarHBondContact O-N 3.08Å; L171-L174 PolarHBondContact O-N 2.71Å; L174-K176 PolarHBondContact O-N 2.95Å; L174-K176 VanDerWaalsContact O-N 3.15Å; L174-R177 VanDerWaalsContact O-CB 3.31Å; L174-R177 WeakPolarHBondContact O-CB 3.46Å; L174-R177 PolarHBondContact O-N 3.41Å; L174-W182 HydrophobicContact CD1-CB 4.49Å; L174-W182 HydrophobicContact CD2-CB 4.02Å; L174-W182 HydrophobicContact CD2-CE3 4.5Å; L174-E183 HydrophobicContact CD1-CB 4.39Å; L174-E183 HydrophobicContact CD1-CG 3.75Å; L174-V186 HydrophobicContact CD2-CG2 3.72Å; L174-V186 HydrophobicContact CG-CG2 4.37Å
175G88.1Confident90.9Very high55 Ų5548.2 Ų48.257%0.56727%0.274SS*.THydrogen-bonded Turntrans54.4-118.9177.300000112.2L171 A172 A173L171-G175 PolarHBondContact O-N 2.73Å; L171-G175 VanDerWaalsContact O-N 3.12Å; A172-G175 PolarHBondContact O-N 2.67Å; A173-G175 VanDerWaalsContact C-N 3.32Å
176K79.1Confident90.9Very high215 Ų21548.2 Ų48.294%0.93527%0.274SS*.THydrogen-bonded Turntrans-81-12.8178.8-65.4-176.7-177.9177.80114L174 G178L174-K176 PolarHBondContact O-N 2.95Å; L174-K176 VanDerWaalsContact O-N 3.15Å; K176-G178 PolarHBondContact O-N 2.97Å
177R75.3Confident90.8Very high119 Ų11948.2 Ų48.245%0.44927%0.274SS..SBendtrans-7926.5-177.3-56.5169.4174-172.5-13.4111.9L174 W182 E204L174-R177 VanDerWaalsContact O-CB 3.31Å; L174-R177 WeakPolarHBondContact O-CB 3.46Å; L174-R177 PolarHBondContact O-N 3.41Å; R177-W182 WeakPolarHBondContact O-CB 3.44Å; R177-E204 IonicContact CZ-OE1 3.25Å; R177-E204 VanDerWaalsContact CZ-OE1 3.25Å; R177-E204 IonicContact CZ-OE2 3.5Å; R177-E204 IonicContact NH1-OE1 2.72Å; R177-E204 PolarHBondContact NH1-OE1 2.7Å; R177-E204 VanDerWaalsContact NH1-OE1 3.11Å; R177-E204 IonicContact NH1-OE2 2.96Å; R177-E204 PolarHBondContact NH1-OE2 2.84Å; R177-E204 IonicContact NH2-OE1 3.45Å; R177-E204 PolarHBondContact NH2-OE1 2.84Å; R177-E204 IonicContact NH2-OE2 3.02Å
178G68.2Low90.8Very high48 Ų4853.4 Ų53.450%0.49529%0.293SS..  trans-68.3160.3-17100000113.5K176K176-G178 PolarHBondContact O-N 2.97Å
179G83.5Confident90.8Very high32 Ų3250.9 Ų50.933%0.3329%0.285SS..SBendtrans136.9152.7179.700000111.5R181 W182 E183G179-R181 PolarHBondContact O-N 3.42Å; G179-R181 VanDerWaalsContact O-N 3.1Å; G179-W182 PolarHBondContact O-N 3.26Å; G179-E183 WeakPolarHBondContact O-CG 3.34Å; G179-E183 PolarHBondContact O-N 2.85Å
180A87.4Confident90.7Very high30 Ų3050 Ų5025%0.24828%0.28CS..Hα-helixtrans-57.5-33.7-169.900000114.3P67 L184P67-A180 HydrophobicContact CB-CB 3.48Å; P67-A180 VanDerWaalsContact CB-CB 3.48Å; P67-A180 WeakPolarHBondContact O-CB 3.4Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 2.85Å
181R90.9Very high90.7Very high134 Ų13454.9 Ų54.951%0.50630%0.298SS..Hα-helixtrans-63.8-44.8176.6-177.1177.1178.9-173.1-7.4112.1G179 G185 L207 E211G179-R181 PolarHBondContact O-N 3.42Å; G179-R181 VanDerWaalsContact O-N 3.1Å; R181-G185 PolarHBondContact O-N 3.42Å; R181-L207 HydrophobicContact CG-CD1 4.42Å; R181-L207 HydrophobicContact CG-CD2 3.93Å; R181-E211 IonicContact NH1-OE1 3.64Å
182W93.4Very high90.5Very high56 Ų5657.6 Ų57.621%0.21231%0.31CS..Hα-helixtrans-71.2-43178.9-75.1105.1000111.9L174 R177 G179 G185 V186 E204 L207L174-W182 HydrophobicContact CD1-CB 4.49Å; L174-W182 HydrophobicContact CD2-CB 4.02Å; L174-W182 HydrophobicContact CD2-CE3 4.5Å; R177-W182 WeakPolarHBondContact O-CB 3.44Å; G179-W182 PolarHBondContact O-N 3.26Å; W182-G185 PolarHBondContact O-N 3.19Å; W182-V186 PolarHBondContact O-N 3.17Å; W182-E204 HydrophobicContact CH2-CB 4.48Å; W182-E204 HydrophobicContact CZ3-CB 4.25Å; W182-L207 HydrophobicContact CD2-CB 4.42Å; W182-L207 HydrophobicContact CD2-CD1 3.79Å; W182-L207 HydrophobicContact CE3-CB 4.22Å; W182-L207 HydrophobicContact CE3-CD1 3.52Å; W182-L207 HydrophobicContact CE3-CG 4.48Å; W182-L207 HydrophobicContact CG-CD1 4.34Å; W182-L207 HydrophobicContact CH2-CB 3.58Å; W182-L207 HydrophobicContact CH2-CD1 4.43Å; W182-L207 HydrophobicContact CZ2-CB 3.79Å; W182-L207 HydrophobicContact CZ3-CB 3.82Å; W182-L207 HydrophobicContact CZ3-CD1 3.88Å; W182-L207 HydrophobicContact CZ3-CG 4.4Å
183E95.4Very high90.4Very high21 Ų2154.7 Ų54.710%0.09829%0.287CS..Hα-helixtrans-58.8-47.9175.2-67.5179.5-156.600111.3L63 G70 L71 L174 G179 V187L63-E183 HydrophobicContact CD1-CB 4.2Å; G70-E183 WeakPolarHBondContact CA-OE2 3.41Å; L71-E183 HydrophobicContact CD1-CB 3.87Å; L71-E183 HydrophobicContact CD1-CG 3.86Å; L71-E183 HydrophobicContact CG-CB 4.04Å; L71-E183 HydrophobicContact CG-CG 4.17Å; L71-E183 PolarHBondContact N-OE2 3.29Å; L174-E183 HydrophobicContact CD1-CB 4.39Å; L174-E183 HydrophobicContact CD1-CG 3.75Å; G179-E183 WeakPolarHBondContact O-CG 3.34Å; G179-E183 PolarHBondContact O-N 2.85Å; E183-V187 VanDerWaalsContact O-CG2 3.24Å; E183-V187 WeakPolarHBondContact O-CG2 3.22Å; E183-V187 PolarHBondContact O-N 2.86Å; E183-V187 VanDerWaalsContact O-N 3.08Å
184L95.9Very high90.4Very high25 Ų2555.8 Ų55.813%0.13129%0.285CS..Hα-helixtrans-63.6-43.4176.6177.459000112.3E60 L63 E64 A180 V186 V187 R188E60-L184 HydrophobicContact CG-CD1 3.9Å; L63-L184 HydrophobicContact CB-CB 4.25Å; L63-L184 HydrophobicContact CB-CD1 4.05Å; E64-L184 HydrophobicContact CG-CD1 3.68Å; E64-L184 HydrophobicContact CG-CD2 3.74Å; E64-L184 HydrophobicContact CG-CG 4.37Å; A180-L184 WeakPolarHBondContact O-CB 3.29Å; A180-L184 PolarHBondContact O-N 2.85Å; L184-V186 PolarHBondContact O-N 2.94Å; L184-V187 PolarHBondContact O-N 3.49Å; L184-R188 HydrophobicContact CD1-CG 4.25Å; L184-R188 WeakPolarHBondContact O-CG 3.42Å; L184-R188 PolarHBondContact O-N 3.29Å
185G95.3Very high90.4Very high14 Ų1462.8 Ų62.814%0.14431%0.311CS..Hα-helixtrans-58.1-49.3179.300000112.4R181 W182 V187 R188 E189R181-G185 PolarHBondContact O-N 3.42Å; W182-G185 PolarHBondContact O-N 3.19Å; G185-V187 PolarHBondContact O-N 3.39Å; G185-R188 PolarHBondContact O-N 3.4Å; G185-E189 PolarHBondContact O-N 3.47Å
186V95.9Very high90.8Very high0 Ų061.1 Ų61.10%029%0.289CS..Hα-helixtrans-66.4-39.2178.6176.50000111.6L170 L174 W182 L184 R188 E189 R190 A199 V200 A203L170-V186 HydrophobicContact CD1-CG1 4.41Å; L170-V186 HydrophobicContact CD2-CG1 3.81Å; L170-V186 HydrophobicContact CG-CG1 4.48Å; L174-V186 HydrophobicContact CD2-CG2 3.72Å; L174-V186 HydrophobicContact CG-CG2 4.37Å; W182-V186 PolarHBondContact O-N 3.17Å; L184-V186 PolarHBondContact O-N 2.94Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.25Å; V186-E189 PolarHBondContact O-N 2.93Å; V186-R190 HydrophobicContact CG1-CG 4.21Å; V186-R190 WeakPolarHBondContact O-CB 3.47Å; V186-R190 VanDerWaalsContact O-CG 3.26Å; V186-R190 WeakPolarHBondContact O-CG 3.47Å; V186-R190 PolarHBondContact O-N 3.36Å; V186-A199 HydrophobicContact CG1-CB 4.37Å; V186-V200 HydrophobicContact CG1-CG2 4.33Å; V186-V200 HydrophobicContact CG2-CG2 4.36Å; V186-A203 HydrophobicContact CG2-CB 3.65Å
187V96.7Very high91.5Very high0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-61.2-41.3176.8169.10000111.7M59 E60 L63 L71 L170 E183 L184 G185 R190 R191M59-V187 HydrophobicContact CB-CG1 3.84Å; M59-V187 HydrophobicContact CB-CG2 4.33Å; E60-V187 HydrophobicContact CB-CG1 3.97Å; L63-V187 HydrophobicContact CD1-CB 4.45Å; L63-V187 HydrophobicContact CD1-CG2 3.91Å; L71-V187 HydrophobicContact CD2-CG2 3.93Å; L170-V187 HydrophobicContact CD1-CG2 3.7Å; E183-V187 VanDerWaalsContact O-CG2 3.24Å; E183-V187 WeakPolarHBondContact O-CG2 3.22Å; E183-V187 PolarHBondContact O-N 2.86Å; E183-V187 VanDerWaalsContact O-N 3.08Å; L184-V187 PolarHBondContact O-N 3.49Å; G185-V187 PolarHBondContact O-N 3.39Å; V187-R190 PolarHBondContact O-N 2.82Å; V187-R191 WeakPolarHBondContact O-CB 3.38Å; V187-R191 PolarHBondContact O-N 3.28Å
188R96Very high92.4Very high109 Ų10953.8 Ų53.841%0.41127%0.267SS..Hα-helixtrans-61.6-45.1176.4-77.2175.9173.7171.8-1112.1E60 E64 L184 G185 V186 R191 Q192E60-R188 HydrophobicContact CG-CG 3.98Å; E60-R188 IonicContact OE1-NE 3.27Å; E64-R188 IonicContact OE1-CZ 2.91Å; E64-R188 IonicContact OE1-NE 2.76Å; E64-R188 PolarHBondContact OE1-NE 2.97Å; E64-R188 IonicContact OE1-NH2 3.57Å; E64-R188 PolarHBondContact OE1-NH2 3.19Å; L184-R188 HydrophobicContact CD1-CG 4.25Å; L184-R188 WeakPolarHBondContact O-CG 3.42Å; L184-R188 PolarHBondContact O-N 3.29Å; G185-R188 PolarHBondContact O-N 3.4Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 3.25Å; R188-R191 PolarHBondContact O-N 3.42Å; R188-Q192 WeakPolarHBondContact O-CG 3.34Å; R188-Q192 PolarHBondContact O-N 3.37Å
189E95.9Very high93.7Very high17 Ų1751.5 Ų51.58%0.07924%0.243CC..Hα-helixtrans-63.1-43.4175.9-68.3-61123.800111.5G185 V186 R191 Q192 Q194 A199 N202G185-E189 PolarHBondContact O-N 3.47Å; V186-E189 PolarHBondContact O-N 2.93Å; E189-R191 VanDerWaalsContact C-N 3.34Å; E189-R191 PolarHBondContact O-N 3.29Å; E189-Q192 WeakPolarHBondContact O-CB 3.46Å; E189-Q192 PolarHBondContact O-N 2.89Å; E189-Q192 VanDerWaalsContact O-N 3.08Å; E189-Q194 WeakPolarHBondContact O-CB 3.45Å; E189-Q194 VanDerWaalsContact O-CG 3.3Å; E189-Q194 WeakPolarHBondContact O-CG 3.37Å; E189-Q194 PolarHBondContact O-N 2.91Å; E189-A199 HydrophobicContact CB-CB 3.61Å; E189-N202 HydrophobicContact CG-CB 3.98Å; E189-N202 VanDerWaalsContact OE2-CB 3.28Å; E189-N202 WeakPolarHBondContact OE2-CB 3.47Å; E189-N202 PolarHBondContact OE2-ND2 2.97Å
190R95.5Very high94.2Very high0 Ų050.7 Ų50.70%023%0.232CC..Hα-helixtrans-60.6-42.5174.8-71.3-71.2-69166.7-15.5111.8L40 P45 L56 E166 L170 V186 V187 Q192 G193 Q194 A199L40-R190 PolarHBondContact O-NH1 3.5Å; L40-R190 PolarHBondContact O-NH2 2.91Å; P45-R190 WeakPolarHBondContact CG-O 3.5Å; L56-R190 HydrophobicContact CD1-CB 4.08Å; L56-R190 HydrophobicContact CD2-CB 3.96Å; E166-R190 VanDerWaalsContact CD-NH2 3.31Å; E166-R190 IonicContact OE1-CZ 3.08Å; E166-R190 IonicContact OE1-NE 2.84Å; E166-R190 PolarHBondContact OE1-NE 3.01Å; E166-R190 IonicContact OE1-NH2 3.59Å; E166-R190 PolarHBondContact OE1-NH2 3.38Å; E166-R190 IonicContact OE2-CZ 3.56Å; E166-R190 IonicContact OE2-NH2 2.71Å; E166-R190 PolarHBondContact OE2-NH2 3.45Å; L170-R190 HydrophobicContact CD1-CG 4.36Å; L170-R190 HydrophobicContact CD2-CG 3.81Å; V186-R190 HydrophobicContact CG1-CG 4.21Å; V186-R190 WeakPolarHBondContact O-CB 3.47Å; V186-R190 VanDerWaalsContact O-CG 3.26Å; V186-R190 WeakPolarHBondContact O-CG 3.47Å; V186-R190 PolarHBondContact O-N 3.36Å; V187-R190 PolarHBondContact O-N 2.82Å; R190-Q192 PolarHBondContact O-N 2.92Å; R190-G193 PolarHBondContact O-N 2.9Å; R190-Q194 WeakPolarHBondContact CD-O 3.34Å; R190-Q194 PolarHBondContact NH1-O 2.93Å; R190-A199 HydrophobicContact CG-CB 3.94Å
191R94.6Very high94.5Very high102 Ų10251.8 Ų51.839%0.38523%0.233SC..Hα-helixtrans-60.3-28.8176.4-173-174.9167.6-164.2-1.9111.7R46 L56 E60 V187 R188 E189 G193R46-R191 PolarHBondContact NE-O 2.93Å; R46-R191 PolarHBondContact NH2-O 3.13Å; L56-R191 HydrophobicContact CB-CB 4.18Å; L56-R191 HydrophobicContact CB-CG 4.44Å; E60-R191 IonicContact OE1-NH1 3.77Å; E60-R191 PolarHBondContact OE1-NH1 2.96Å; E60-R191 WeakPolarHBondContact OE2-CD 3.3Å; E60-R191 IonicContact OE2-CZ 3.83Å; E60-R191 IonicContact OE2-NE 2.84Å; E60-R191 IonicContact OE2-NH1 3.63Å; E60-R191 PolarHBondContact OE2-NH1 3.45Å; V187-R191 WeakPolarHBondContact O-CB 3.38Å; V187-R191 PolarHBondContact O-N 3.28Å; R188-R191 PolarHBondContact O-N 3.42Å; E189-R191 VanDerWaalsContact C-N 3.34Å; E189-R191 PolarHBondContact O-N 3.29Å; R191-G193 PolarHBondContact O-N 3.11Å
192Q92.3Very high94.7Very high108 Ų10847.3 Ų47.351%0.50522%0.22SC..THydrogen-bonded Turntrans-71.8-2.1174.1-65.8174.325.300114.1R46 R188 E189 R190 Q194R46-Q192 VanDerWaalsContact NH2-CA 3.3Å; R188-Q192 WeakPolarHBondContact O-CG 3.34Å; R188-Q192 PolarHBondContact O-N 3.37Å; E189-Q192 WeakPolarHBondContact O-CB 3.46Å; E189-Q192 PolarHBondContact O-N 2.89Å; E189-Q192 VanDerWaalsContact O-N 3.08Å; R190-Q192 PolarHBondContact O-N 2.92Å; Q192-Q194 HydrophobicContact CB-CG 4.38Å
193G91.6Very high94.6Very high14 Ų1444.8 Ų44.814%0.14421%0.21CC..THydrogen-bonded Turntrans90.410.8-178.200000113.1D44 R190 R191D44-G193 WeakPolarHBondContact OD1-CA 3.36Å; R190-G193 PolarHBondContact O-N 2.9Å; R191-G193 PolarHBondContact O-N 3.11Å
194Q93.9Very high94.4Very high65 Ų6546.6 Ų46.630%0.30422%0.219SC..  trans-71.8142.7-179.9-57.9-58.8-19.900111.4E189 R190 Q192 V198 A199E189-Q194 WeakPolarHBondContact O-CB 3.45Å; E189-Q194 VanDerWaalsContact O-CG 3.3Å; E189-Q194 WeakPolarHBondContact O-CG 3.37Å; E189-Q194 PolarHBondContact O-N 2.91Å; R190-Q194 WeakPolarHBondContact CD-O 3.34Å; R190-Q194 PolarHBondContact NH1-O 2.93Å; Q192-Q194 HydrophobicContact CB-CG 4.38Å; Q194-V198 HydrophobicContact CB-CG1 4.44Å; Q194-A199 HydrophobicContact CB-CB 4.1Å
195R94.2Very high94.1Very high155 Ų15554 Ų5459%0.58525%0.245SC*.  trans-67.4156.3170.3-63.5180-178-174-2.3110T42 Q197 V198 A199T42-R195 VanDerWaalsContact O-CD 3.26Å; T42-R195 WeakPolarHBondContact O-CD 3.22Å; T42-R195 PolarHBondContact O-NE 3.41Å; T42-R195 VanDerWaalsContact O-NE 3.12Å; R195-Q197 PolarHBondContact O-N 3.12Å; R195-V198 PolarHBondContact O-N 3.26Å; R195-V198 VanDerWaalsContact O-N 3.15Å; R195-A199 WeakPolarHBondContact O-CB 3.48Å; R195-A199 PolarHBondContact O-N 3.47Å
196L95.2Very high93.8Very high20 Ų2058.8 Ų58.811%0.10527%0.267CS..Hα-helixtrans-51.9-52-171.8178.466.1000113.2A41 L169 L170 A173 V198 A199 V200A41-L196 HydrophobicContact CB-CB 4.32Å; A41-L196 HydrophobicContact CB-CD2 3.94Å; A41-L196 PolarHBondContact O-N 3.21Å; L169-L196 HydrophobicContact CD1-CD2 3.66Å; L169-L196 HydrophobicContact CD2-CD2 4.06Å; L169-L196 HydrophobicContact CG-CD1 4.29Å; L169-L196 HydrophobicContact CG-CD2 3.73Å; L170-L196 HydrophobicContact CD2-CD1 3.52Å; A173-L196 HydrophobicContact CB-CD1 3.88Å; A173-L196 HydrophobicContact CB-CD2 4.22Å; A173-L196 HydrophobicContact CB-CG 4.25Å; L196-V198 PolarHBondContact O-N 3.42Å; L196-A199 PolarHBondContact O-N 3.18Å; L196-V200 HydrophobicContact CD1-CG2 4.33Å; L196-V200 WeakPolarHBondContact O-CG2 3.31Å; L196-V200 PolarHBondContact O-N 3.2Å
197Q94.1Very high93.3Very high122 Ų12260.4 Ų60.457%0.5728%0.275SS*.Hα-helixtrans-61.7-45-177.5-170.161.552.900111.8R195 A199 V200 D201R195-Q197 PolarHBondContact O-N 3.12Å; Q197-A199 VanDerWaalsContact C-N 3.32Å; Q197-A199 PolarHBondContact O-N 2.9Å; Q197-V200 PolarHBondContact O-N 3.22Å; Q197-D201 PolarHBondContact NE2-OD1 3.09Å; Q197-D201 WeakPolarHBondContact O-CB 3.41Å; Q197-D201 PolarHBondContact O-N 2.86Å
198V94.7Very high92.5Very high58 Ų5863.8 Ų63.835%0.35230%0.299SS..Hα-helixtrans-63.4-40.9179-179.40000110.8Q194 R195 L196 V200 D201 N202Q194-V198 HydrophobicContact CB-CG1 4.44Å; R195-V198 PolarHBondContact O-N 3.26Å; R195-V198 VanDerWaalsContact O-N 3.15Å; L196-V198 PolarHBondContact O-N 3.42Å; V198-V200 PolarHBondContact O-N 3.12Å; V198-D201 PolarHBondContact O-N 2.88Å; V198-N202 VanDerWaalsContact O-CB 3.29Å; V198-N202 WeakPolarHBondContact O-CB 3.17Å; V198-N202 PolarHBondContact O-N 3.2Å
199A95.3Very high91Very high0 Ų062.6 Ų62.60%030%0.304CS..Hα-helixtrans-62.9-41.9177.600000112.2V186 E189 R190 Q194 R195 L196 Q197 A203V186-A199 HydrophobicContact CG1-CB 4.37Å; E189-A199 HydrophobicContact CB-CB 3.61Å; R190-A199 HydrophobicContact CG-CB 3.94Å; Q194-A199 HydrophobicContact CB-CB 4.1Å; R195-A199 WeakPolarHBondContact O-CB 3.48Å; R195-A199 PolarHBondContact O-N 3.47Å; L196-A199 PolarHBondContact O-N 3.18Å; Q197-A199 VanDerWaalsContact C-N 3.32Å; Q197-A199 PolarHBondContact O-N 2.9Å; A199-A203 VanDerWaalsContact O-CB 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.46Å; A199-A203 PolarHBondContact O-N 3.05Å
200V94.3Very high89Confident15 Ų1566 Ų669%0.09133%0.327CS..Hα-helixtrans-67.1-46.2176.4173.50000111A173 V186 L196 Q197 V198 N202 A203 E204A173-V200 HydrophobicContact CB-CG2 3.96Å; V186-V200 HydrophobicContact CG1-CG2 4.33Å; V186-V200 HydrophobicContact CG2-CG2 4.36Å; L196-V200 HydrophobicContact CD1-CG2 4.33Å; L196-V200 WeakPolarHBondContact O-CG2 3.31Å; L196-V200 PolarHBondContact O-N 3.2Å; Q197-V200 PolarHBondContact O-N 3.22Å; V198-V200 PolarHBondContact O-N 3.12Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-N202 PolarHBondContact O-N 3.37Å; V200-A203 PolarHBondContact O-N 2.6Å; V200-E204 WeakPolarHBondContact O-CB 3.47Å; V200-E204 PolarHBondContact O-N 3.37Å
201D94Very high87Confident52 Ų5273.6 Ų73.628%0.27836%0.363SS..Hα-helixtrans-63.2-40.6179.9-64.6-12.7000111.6Q197 V198 E204 R205Q197-D201 PolarHBondContact NE2-OD1 3.09Å; Q197-D201 WeakPolarHBondContact O-CB 3.41Å; Q197-D201 PolarHBondContact O-N 2.86Å; V198-D201 PolarHBondContact O-N 2.88Å; D201-E204 PolarHBondContact O-N 2.72Å; D201-R205 VanDerWaalsContact O-CG 3.29Å; D201-R205 WeakPolarHBondContact O-CG 3.26Å; D201-R205 PolarHBondContact O-N 2.84Å
202N94.2Very high84.7Confident41 Ų4176 Ų7622%0.21938%0.383CS..Hα-helixtrans-66.5-46176.3-75.1-6.2000111.5E189 V198 V200 E204 R205 L206E189-N202 HydrophobicContact CG-CB 3.98Å; E189-N202 VanDerWaalsContact OE2-CB 3.28Å; E189-N202 WeakPolarHBondContact OE2-CB 3.47Å; E189-N202 PolarHBondContact OE2-ND2 2.97Å; V198-N202 VanDerWaalsContact O-CB 3.29Å; V198-N202 WeakPolarHBondContact O-CB 3.17Å; V198-N202 PolarHBondContact O-N 3.2Å; V200-N202 VanDerWaalsContact C-N 3.34Å; V200-N202 PolarHBondContact O-N 3.37Å; N202-E204 VanDerWaalsContact C-N 3.27Å; N202-E204 PolarHBondContact O-N 3Å; N202-R205 PolarHBondContact O-N 3.32Å; N202-L206 WeakPolarHBondContact O-CB 3.4Å; N202-L206 VanDerWaalsContact O-CG 3.32Å; N202-L206 WeakPolarHBondContact O-CG 3.41Å; N202-L206 PolarHBondContact O-N 3.19Å
203A92.4Very high82.6Confident2 Ų274.6 Ų74.62%0.01739%0.39CS..Hα-helixtrans-60-39.4175.100000111.2V186 A199 V200 L206 L207V186-A203 HydrophobicContact CG2-CB 3.65Å; A199-A203 VanDerWaalsContact O-CB 3.29Å; A199-A203 WeakPolarHBondContact O-CB 3.46Å; A199-A203 PolarHBondContact O-N 3.05Å; V200-A203 PolarHBondContact O-N 2.6Å; A203-L206 PolarHBondContact O-N 2.84Å; A203-L207 HydrophobicContact CB-CD1 4.47Å; A203-L207 WeakPolarHBondContact O-CB 3.3Å; A203-L207 WeakPolarHBondContact O-CG 3.33Å; A203-L207 PolarHBondContact O-N 3.45Å
204E90.5Very high80.3Confident59 Ų5983 Ų8328%0.27643%0.425SS..Hα-helixtrans-61.1-50.6174-173.8167-165.900111.8R177 W182 V200 D201 N202 L206 L207 S208R177-E204 IonicContact CZ-OE1 3.25Å; R177-E204 VanDerWaalsContact CZ-OE1 3.25Å; R177-E204 IonicContact CZ-OE2 3.5Å; R177-E204 IonicContact NH1-OE1 2.72Å; R177-E204 PolarHBondContact NH1-OE1 2.7Å; R177-E204 VanDerWaalsContact NH1-OE1 3.11Å; R177-E204 IonicContact NH1-OE2 2.96Å; R177-E204 PolarHBondContact NH1-OE2 2.84Å; R177-E204 IonicContact NH2-OE1 3.45Å; R177-E204 PolarHBondContact NH2-OE1 2.84Å; R177-E204 IonicContact NH2-OE2 3.02Å; W182-E204 HydrophobicContact CH2-CB 4.48Å; W182-E204 HydrophobicContact CZ3-CB 4.25Å; V200-E204 WeakPolarHBondContact O-CB 3.47Å; V200-E204 PolarHBondContact O-N 3.37Å; D201-E204 PolarHBondContact O-N 2.72Å; N202-E204 VanDerWaalsContact C-N 3.27Å; N202-E204 PolarHBondContact O-N 3Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 2.87Å; E204-L207 PolarHBondContact O-N 2.9Å; E204-S208 WeakPolarHBondContact O-CB 3.38Å; E204-S208 PolarHBondContact O-N 2.95Å; E204-S208 PolarHBondContact O-OG 3.37Å
205R90.4Very high78.2Confident182 Ų18282.9 Ų82.969%0.68744%0.442SS*.Hα-helixtrans-58.2-38.1177.6-71.8169.3-177.8177.52.1113.1D201 N202D201-R205 VanDerWaalsContact O-CG 3.29Å; D201-R205 WeakPolarHBondContact O-CG 3.26Å; D201-R205 PolarHBondContact O-N 2.84Å; N202-R205 PolarHBondContact O-N 3.32Å
206L87.9Confident76Confident114 Ų11484.2 Ų84.260%0.59746%0.455SS*.Hα-helixtrans-77.1-35.1-178.6-71.4170.2000113.2N202 A203 E204N202-L206 WeakPolarHBondContact O-CB 3.4Å; N202-L206 VanDerWaalsContact O-CG 3.32Å; N202-L206 WeakPolarHBondContact O-CG 3.41Å; N202-L206 PolarHBondContact O-N 3.19Å; A203-L206 PolarHBondContact O-N 2.84Å; E204-L206 VanDerWaalsContact C-N 3.26Å; E204-L206 PolarHBondContact O-N 2.87Å
207L86.3Confident73.6Confident33 Ų3390.8 Ų90.817%0.17349%0.489CS..Hα-helixtrans-101.2-15.4-170.7-59.8175.3000113.4R181 W182 A203 E204 V209R181-L207 HydrophobicContact CG-CD1 4.42Å; R181-L207 HydrophobicContact CG-CD2 3.93Å; W182-L207 HydrophobicContact CD2-CB 4.42Å; W182-L207 HydrophobicContact CD2-CD1 3.79Å; W182-L207 HydrophobicContact CE3-CB 4.22Å; W182-L207 HydrophobicContact CE3-CD1 3.52Å; W182-L207 HydrophobicContact CE3-CG 4.48Å; W182-L207 HydrophobicContact CG-CD1 4.34Å; W182-L207 HydrophobicContact CH2-CB 3.58Å; W182-L207 HydrophobicContact CH2-CD1 4.43Å; W182-L207 HydrophobicContact CZ2-CB 3.79Å; W182-L207 HydrophobicContact CZ3-CB 3.82Å; W182-L207 HydrophobicContact CZ3-CD1 3.88Å; W182-L207 HydrophobicContact CZ3-CG 4.4Å; A203-L207 HydrophobicContact CB-CD1 4.47Å; A203-L207 WeakPolarHBondContact O-CB 3.3Å; A203-L207 WeakPolarHBondContact O-CG 3.33Å; A203-L207 PolarHBondContact O-N 3.45Å; E204-L207 PolarHBondContact O-N 2.9Å; L207-V209 VanDerWaalsContact C-N 3.29Å
208S78.8Confident71.5Confident71 Ų7190.6 Ų90.650%0.49749%0.492SS..  trans-81.9-0.2174.9-66.40000114.1E204 P210E204-S208 WeakPolarHBondContact O-CB 3.38Å; E204-S208 PolarHBondContact O-N 2.95Å; E204-S208 PolarHBondContact O-OG 3.37Å; S208-P210 WeakPolarHBondContact O-CD 3.45Å
209V65.2Low69.3Low85 Ų8595 Ų9552%0.51551%0.513SS..SBendtrans-69119.7172.6-174.50000108.8L207 A213L207-V209 VanDerWaalsContact C-N 3.29Å; V209-A213 HydrophobicContact CG1-CB 4.49Å
210P54.6Low67.2Low87 Ų87104.1 Ų104.157%0.56555%0.549SS*.  trans-62.4139.3174.2-17.130.4000110S208 D212 A213S208-P210 WeakPolarHBondContact O-CD 3.45Å; P210-D212 PolarHBondContact O-N 3.33Å; P210-A213 PolarHBondContact O-N 3.15Å
211E53.6Low64.8Low161 Ų161114.9 Ų114.975%0.75259%0.588SS**G310 helixtrans-61.5-2177.3-66.517816000113.3R181R181-E211 IonicContact NH1-OE1 3.64Å
212D45.1Very low62.3Low151 Ų151120.4 Ų120.481%0.80761%0.612SS**G310 helixtrans-89.91-179.8-59.3-43.9000114.7P210P210-D212 PolarHBondContact O-N 3.33Å
213A48.5Very low59.7Low80 Ų80124.9 Ų124.966%0.66164%0.636SS**G310 helixtrans-94.613.117900000114.4V209 P210 G215V209-A213 HydrophobicContact CG1-CB 4.49Å; P210-A213 PolarHBondContact O-N 3.15Å; A213-G215 VanDerWaalsContact C-N 3.29Å
214E43.8Very low57.1Low189 Ų189129.2 Ų129.288%0.88367%0.666SS**G310 helixtrans-90.910.2166.9-68-168.7169.800112.6
215G49.6Very low54.4Low63 Ų63133.4 Ų133.465%0.64970%0.696SS**SBendtrans-108.749.3-17500000115.5A213A213-G215 VanDerWaalsContact C-N 3.29Å
216E46.7Very low51.8Low184 Ų184129.3 Ų129.386%0.8670%0.701SS**  trans-177.676.2148.1-112.9179.5168.900110.3D218E216-D218 VanDerWaalsContact C-N 3.27Å; E216-D218 PolarHBondContact O-N 3.43Å
217L45.2Very low49.6Very low158 Ų158129.7 Ų129.783%0.82771%0.71SS**  trans-74.890.6151.3-95.5150.4000106.7L219L217-L219 PolarHBondContact O-N 3.43Å
218D49.8Very low47.6Very low117 Ų117134.4 Ų134.463%0.62674%0.743SS**  trans-63.998.9169.9-177.88.3000109.2E216 Y220E216-D218 VanDerWaalsContact C-N 3.27Å; E216-D218 PolarHBondContact O-N 3.43Å; D218-Y220 PolarHBondContact O-N 2.82Å; D218-Y220 PolarHBondContact OD1-N 2.91Å
219L48.3Very low45.3Very low152 Ų152135 Ų13580%0.79676%0.76SS**THydrogen-bonded Turntrans-767.8-178.4-82.3157.6000113.5L217L217-L219 PolarHBondContact O-N 3.43Å
220Y52Low43.6Very low191 Ų191134.2 Ų134.275%0.74977%0.769SS**THydrogen-bonded Turntrans-123.338.3-175.2-71.6-76.7000115.5D218 E222D218-Y220 PolarHBondContact O-N 2.82Å; D218-Y220 PolarHBondContact OD1-N 2.91Å; Y220-E222 VanDerWaalsContact C-N 3.26Å; Y220-E222 PolarHBondContact O-N 3.28Å
221R44.9Very low42.7Very low241 Ų241139 Ų13991%0.90978%0.784SS**  trans-82.674.3164-154.8173.7-172.3123.50.4112
222E41.4Very low41.7Very low167 Ų167143.3 Ų143.378%0.7879%0.793SS**  trans-77.9113.2155-67.9-18015500107.7Y220Y220-E222 VanDerWaalsContact C-N 3.26Å; Y220-E222 PolarHBondContact O-N 3.28Å
223D39.5Very low41.3Very low136 Ų136147.2 Ų147.273%0.72780%0.797SS**  165.7134.898.4-125.3-26.1000113.3
224S37.1Very low40.6Very low92 Ų92148 Ų14864%0.64380%0.798SS**  trans56.4105.7137.5-66.70000121.1
225T34.4Very low40.3Very low147 Ų147146.5 Ų146.590%0.90280%0.796SS**  175.2111.7107.629.70000112
226A34.8Very low39.6Very low96 Ų96147.1 Ų147.179%0.79380%0.802SS**  trans-127.4128.7160.100000108.6
227P41.5Very low39.6Very low123 Ų123144.2 Ų144.280%0.79980%0.799SS**  trans-89.8145.7161.832.5-27.7000110.4
228P44Very low39.3Very low131 Ų131143.4 Ų143.485%0.85180%0.8SS**  trans-95.9152177.536-30.1000111.9
229G30.4Very low38.5Very low83 Ų83142.6 Ų142.686%0.85681%0.81SS**  trans123.6130.9148.700000115.5
230G31.1Very low37.9Very low70 Ų70139.9 Ų139.972%0.72281%0.809SS**  trans145.661.8154.700000117.8
231Q34.1Very low37.5Very low188 Ų188136.6 Ų136.688%0.87981%0.811SS**  trans37.4123.3139.2-66.3167.22.500119.5
232R34.2Very low37Very low250 Ų250137 Ų13794%0.94381%0.813SS**  -151.5101.7129.5-113.2166.9-167.6-106.83.2113.3
233R35.5Very low36.7Very low234 Ų234134.6 Ų134.688%0.88381%0.814SS**  trans12.5118.5147.4-65.6-176.3169.7-161.5-4.6118.9
234S34.7Very low36.6Very low97 Ų97140.1 Ų140.168%0.67883%0.825SS**  trans-41.1143.8140.948.50000114.8
235N37.3Very low36.4Very low157 Ų157147.4 Ų147.484%0.8484%0.838SS**  -173.9125.3117.8-87.7-8.4000109.9
236G33.8Very low36.5Very low75 Ų75150.8 Ų150.877%0.77384%0.841SS**  trans-78.3-150.317100000112.4
237P47.4Very low36.4Very low123 Ų123149.4 Ų149.480%0.79984%0.836SS**  cis-133.6167.8-737.1-18.1000115.2
238V39.7Very low36.3Very low142 Ų142149.4 Ų149.486%0.86184%0.836SS**  trans35.1120.8139-173.50000120.3
239A31.4Very low35.9Very low100 Ų100150 Ų15083%0.82684%0.837SS**  -166.2127128.100000111.7
240A36.6Very low36.2Very low94 Ų94151.9 Ų151.978%0.77783%0.832SS**  trans-100.6-174.2167.300000109.9
241P44.5Very low36.7Very low122 Ų122154 Ų15479%0.79283%0.833SS**  -103.4168.2-112.729.6-10.9000113.1
242R32.9Very low36.8Very low249 Ų249150.7 Ų150.794%0.9483%0.827SS**  trans-132.6117.3166.8-79.4-171.8161.5-174.5-5.1112.2
243S36.2Very low37Very low117 Ų117144.9 Ų144.982%0.81882%0.822SS**  trans-52.8144.4163.4-54.30000112.8
244R36.2Very low36.9Very low252 Ų252141.4 Ų141.495%0.95182%0.82SS**  trans-138.9142.5145.7-79.3-163.4173.5-179.8-1.8111.6
245R34.5Very low36.6Very low245 Ų245145.6 Ų145.693%0.92583%0.829SS**  trans-82.3161.4-168.1-67.7175.5175.2-136.7-2.1112.7
246F36.4Very low36.1Very low219 Ų219142.2 Ų142.296%0.96182%0.823SS**  trans-49.1148.5163-75.6-96.1000114.6
247G31.3Very low36.2Very low66 Ų66145.5 Ų145.568%0.6882%0.822SS**  trans-154.6151.7161.200000109.5
248P39.9Very low35.3Very low123 Ų123151.8 Ų151.880%0.79983%0.83SS**  trans-94.5156.1-14736.7-33.5000113.2
249V35.8Very low34.7Very low145 Ų145148 Ų14888%0.87982%0.82SS**  trans-123.7118.5168.7-1780000109.4
250V36.5Very low34.8Very low122 Ų122153.8 Ų153.874%0.73982%0.821SS**  trans-95.3142.9170.9174.70000108.1
251P41.6Very low34.9Very low115 Ų115154.7 Ų154.775%0.74782%0.818SS**  trans-96.4156-179.337.5-32000112.9
252P37.1Very low34.9Very low118 Ų118152.3 Ų152.377%0.76680%0.797SS**  trans-150.9-176.9140.638.8-21.6000113.6
253P38.8Very low35.6Very low127 Ų127144.9 Ų144.983%0.82578%0.776SS**  cis-127179.4-42.833.9-15.8000113.2
254L32.9Very low36.4Very low161 Ų161145 Ų14584%0.84377%0.767SS**  trans-76.5173-172.4-70.3153.6000116
255E28.7Very low37.2Very low186 Ų186133.9 Ų133.987%0.86973%0.727SS**  trans118.3129.4156.6-58.9-92.5143.100112.4
256A26.6Very low38.3Very low86 Ų86129.2 Ų129.271%0.71172%0.721SS**  cis-158.7140.6-0.600000111.1
257D34.8Very low39.2Very low143 Ų143121.3 Ų121.377%0.76569%0.692SS**  trans31.2106.2144.9-152.115.5000121.9
258R29Very low40.3Very low256 Ų256119.8 Ų119.897%0.96667%0.668SS**  trans-148.2102.9140.1-72.7-164.5-176.8174.60.9111
259G27Very low40.6Very low63 Ų63119.2 Ų119.265%0.64967%0.667SS**  trans85.596.9154.300000116.6P261G259-P261 WeakPolarHBondContact O-CD 3.46Å
260R34.3Very low41Very low220 Ų220115.5 Ų115.583%0.8365%0.651SS**  trans-58.7125.8175.5-75.4-173.4-166.9-163.93.7113
261P37Very low41.4Very low113 Ų113115.4 Ų115.473%0.73465%0.653SS**  trans-89.6147.3154.223-7.1000110.5G259G259-P261 WeakPolarHBondContact O-CD 3.46Å
262H45.5Very low41.4Very low72 Ų72116.2 Ų116.233%0.33366%0.658SS.*  trans-43.2132.4-170.5-56.7-53.5000115.9L264 R277 G282 L284H262-L264 PolarHBondContact O-N 3.27Å; H262-R277 PolarHBondContact CE1-NE 3.1Å; H262-R277 VanDerWaalsContact CE1-NE 3.3Å; H262-R277 PolarHBondContact CE1-NH1 3.39Å; H262-R277 VanDerWaalsContact CE1-NH1 3.31Å; H262-R277 PolarHBondContact CE1-NH2 2.94Å; H262-R277 PolarHBondContact NE2-NH1 3.14Å; H262-G282 WeakPolarHBondContact CB-O 3.49Å; H262-L284 HydrophobicContact CB-CD1 3.71Å; H262-L284 HydrophobicContact CB-CG 4Å
263D47.9Very low42.1Very low94 Ų94113.2 Ų113.250%0.50364%0.636SS.*EExtended strand (participates in β ladder)trans-65119.8173.4-67.6-43.5000108.9V283 L284D263-V283 HydrophobicContact CB-CG2 4.08Å; D263-V283 WeakPolarHBondContact O-CA 3.35Å; D263-V283 WeakPolarHBondContact O-CG1 3.26Å; D263-L284 PolarHBondContact O-N 3.19Å
264L52.7Low43Very low119 Ų119110.5 Ų110.562%0.62362%0.62SS**EExtended strand (participates in β ladder)trans-90.9135.4-176.2-68162.4000109.7H262 L268 L284H262-L264 PolarHBondContact O-N 3.27Å; L264-L268 HydrophobicContact CB-CD1 4.04Å; L264-L268 HydrophobicContact CD2-CD1 3.37Å; L264-L268 HydrophobicContact CG-CD1 4.29Å; L264-L284 HydrophobicContact CD2-CB 4.04Å; L264-L284 HydrophobicContact CD2-CD1 3.8Å
265C53.4Low44.3Very low19 Ų19105.9 Ų105.913%0.12860%0.596CS.*PPolyproline II helixtrans-80.7146.1174-170.30000110.8C267 L268 V283 L284C265-C267 PolarHBondContact O-N 3Å; C265-L268 WeakPolarHBondContact O-CG 3.39Å; C265-L268 PolarHBondContact O-N 3.26Å; C265-L268 VanDerWaalsContact O-N 3.16Å; C265-V283 HydrophobicContact CB-CG1 4.09Å; C265-L284 PolarHBondContact N-O 3.2Å
266D57.4Low46Very low147 Ų14798.5 Ų98.579%0.78656%0.561SS**G310 helixtrans-57.4-13.9-177.1-60.2-32.4000115.2L268 S269D266-L268 PolarHBondContact O-N 3.25Å; D266-S269 PolarHBondContact O-OG 2.95Å
267C55.3Low48.1Very low53 Ų5398.7 Ų98.736%0.35854%0.543SS..G310 helixtrans-68.4-7.717761.30000114.2C265 S269 C289C265-C267 PolarHBondContact O-N 3Å; C267-S269 VanDerWaalsContact C-N 3.29Å; C267-S269 PolarHBondContact O-N 3.21Å; C267-C289 VanDerWaalsContact SG-SG 3.65Å
268L53.5Low49.9Very low34 Ų3491.9 Ų91.918%0.17851%0.507CS..G310 helixtrans-89.919.4-174.9-57.2-179.6000114.3L264 C265 D266 A270 L273 L275 L284 D286L264-L268 HydrophobicContact CB-CD1 4.04Å; L264-L268 HydrophobicContact CD2-CD1 3.37Å; L264-L268 HydrophobicContact CG-CD1 4.29Å; C265-L268 WeakPolarHBondContact O-CG 3.39Å; C265-L268 PolarHBondContact O-N 3.26Å; C265-L268 VanDerWaalsContact O-N 3.16Å; D266-L268 PolarHBondContact O-N 3.25Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.18Å; L268-L273 HydrophobicContact CB-CD1 3.92Å; L268-L273 HydrophobicContact CD2-CB 4.43Å; L268-L273 HydrophobicContact CD2-CD1 3.87Å; L268-L273 HydrophobicContact CD2-CD2 4.19Å; L268-L273 HydrophobicContact CD2-CG 4.37Å; L268-L273 WeakPolarHBondContact O-CD1 3.38Å; L268-L275 HydrophobicContact CD1-CD2 4.22Å; L268-L275 HydrophobicContact CD2-CD2 3.37Å; L268-L275 HydrophobicContact CG-CD2 4.43Å; L268-L284 HydrophobicContact CD1-CB 4.34Å; L268-D286 HydrophobicContact CD2-CB 4.22Å
269S47.5Very low51.8Low110 Ų11082.7 Ų82.777%0.76948%0.477SS*.SBendtrans-79.13.2-170.2-59.70000116D266 C267D266-S269 PolarHBondContact O-OG 2.95Å; C267-S269 VanDerWaalsContact C-N 3.29Å; C267-S269 PolarHBondContact O-N 3.21Å
270A43.1Very low53.6Low67 Ų6784.4 Ų84.455%0.55447%0.471SS*.SBendtrans-160.4133.716800000113.3L268 L273L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.18Å; A270-L273 WeakPolarHBondContact O-CD2 3.46Å; A270-L273 WeakPolarHBondContact O-CG 3.37Å
271P45Very low55Low121 Ų12176.2 Ų76.279%0.78645%0.447SS*.SBendtrans-80157.4175.329.3-31.6000113.7
272P41.5Very low56Low131 Ų13171.8 Ų71.885%0.85142%0.422SS*.  cis-89.51387.733.7-32000113.3
273L51.5Low56.7Low55 Ų5569.9 Ų69.929%0.28842%0.415SS..  trans-118.1133.4-177.1-63.4155000109.4L268 A270 L275 D286L268-L273 HydrophobicContact CB-CD1 3.92Å; L268-L273 HydrophobicContact CD2-CB 4.43Å; L268-L273 HydrophobicContact CD2-CD1 3.87Å; L268-L273 HydrophobicContact CD2-CD2 4.19Å; L268-L273 HydrophobicContact CD2-CG 4.37Å; L268-L273 WeakPolarHBondContact O-CD1 3.38Å; A270-L273 WeakPolarHBondContact O-CD2 3.46Å; A270-L273 WeakPolarHBondContact O-CG 3.37Å; L273-L275 HydrophobicContact CB-CD2 3.78Å; L273-L275 HydrophobicContact CB-CG 4.34Å; L273-L275 PolarHBondContact O-N 3.04Å; L273-D286 WeakPolarHBondContact CA-OD1 3.28Å; L273-D286 HydrophobicContact CD2-CB 4.01Å
274S58Low57.2Low71 Ų7166.3 Ų66.350%0.49740%0.396SS..  trans-94.291.8174.9-66.80000108.9D286 I287S274-D286 PolarHBondContact N-OD1 2.84Å; S274-D286 CarbonylContact O-C 3.51Å; S274-I287 PolarHBondContact O-N 3.49Å
275L61.8Low57.6Low63 Ų6360.9 Ų60.933%0.3337%0.368SS..EExtended strand (participates in β ladder)trans-78.9131.8-167.4-57.9177.9000113.4L268 L273 H285 A305L268-L275 HydrophobicContact CD1-CD2 4.22Å; L268-L275 HydrophobicContact CD2-CD2 3.37Å; L268-L275 HydrophobicContact CG-CD2 4.43Å; L273-L275 HydrophobicContact CB-CD2 3.78Å; L273-L275 HydrophobicContact CB-CG 4.34Å; L273-L275 PolarHBondContact O-N 3.04Å; L275-H285 CarbonylContact C-O 3.59Å; L275-H285 WeakPolarHBondContact CA-O 3.44Å; L275-A305 HydrophobicContact CB-CB 4.13Å; L275-A305 PolarHBondContact O-N 3.48Å; L275-A305 VanDerWaalsContact O-N 3.1Å
276Q62.6Low57.9Low31 Ų3160.7 Ų60.715%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-122123.7177.3-66.9-69.7-38.800108.5H285 L292 V302 E303Q276-H285 PolarHBondContact N-O 3.45Å; Q276-H285 PolarHBondContact O-N 3.24Å; Q276-L292 HydrophobicContact CB-CD1 4.34Å; Q276-L292 HydrophobicContact CB-CD2 4.13Å; Q276-L292 HydrophobicContact CG-CD2 4.16Å; Q276-V302 HydrophobicContact CB-CG1 3.71Å; Q276-E303 CarbonylContact C-O 3.6Å
277R71.3Confident58.1Low90 Ų9058 Ų5834%0.3435%0.35SS..EExtended strand (participates in β ladder)trans-99.2120.5-179.6-176.3177.8164.3-170.6-8.2110.3H262 L279 L284 V302 E303H262-R277 PolarHBondContact CE1-NE 3.1Å; H262-R277 VanDerWaalsContact CE1-NE 3.3Å; H262-R277 PolarHBondContact CE1-NH1 3.39Å; H262-R277 VanDerWaalsContact CE1-NH1 3.31Å; H262-R277 PolarHBondContact CE1-NH2 2.94Å; H262-R277 PolarHBondContact NE2-NH1 3.14Å; R277-L279 HydrophobicContact CG-CD2 4.43Å; R277-L284 HydrophobicContact CB-CD2 3.61Å; R277-L284 HydrophobicContact CG-CD2 4.07Å; R277-V302 CarbonylContact O-C 3.6Å; R277-V302 VanDerWaalsContact O-CA 3.23Å; R277-V302 WeakPolarHBondContact O-CA 3.29Å; R277-V302 WeakPolarHBondContact O-CG1 3.24Å; R277-E303 PolarHBondContact N-O 3Å; R277-E303 PolarHBondContact O-N 3.37Å
278C73.3Confident57.9Low0 Ų061 Ų610%037%0.367CS..EExtended strand (participates in β ladder)trans-80.2118.5168.2165.80000109.2C281 G282 V283 Q301 V302C278-C281 HydrophobicContact CB-CB 4.42Å; C278-C281 WeakPolarHBondContact CB-SG 3.49Å; C278-C281 WeakPolarHBondContact SG-CB 3.43Å; C278-C281 PolarHBondContact SG-N 2.71Å; C278-C281 CovalentContact SG-SG 2.06Å; C278-C281 PolarHBondContact SG-SG 3.01Å; C278-G282 VanDerWaalsContact O-CA 3.24Å; C278-G282 WeakPolarHBondContact O-CA 3.41Å; C278-G282 PolarHBondContact O-N 3.4Å; C278-V283 PolarHBondContact N-O 3.12Å; C278-Q301 CarbonylContact C-O 3.55Å; C278-Q301 WeakPolarHBondContact CA-O 3.29Å; C278-V302 HydrophobicContact CB-CG2 4.26Å
279L67.9Low58Low63 Ų6360 Ų6033%0.3336%0.363SS..THydrogen-bonded Turntrans-75.5-28.8-176.6-64.7180000112.6R277 Q301 E303R277-L279 HydrophobicContact CG-CD2 4.43Å; L279-Q301 HydrophobicContact CB-CB 4.39Å; L279-Q301 HydrophobicContact CD1-CB 4.34Å; L279-Q301 PolarHBondContact N-O 3.13Å; L279-E303 HydrophobicContact CD1-CG 4Å; L279-E303 HydrophobicContact CG-CG 4.47Å
280D64.9Low58.5Low100 Ų10060.5 Ų60.554%0.53536%0.361SS..THydrogen-bonded Turntrans-81.5-34.9-179.2-58.9-59.2000112.7H300 Q301D280-H300 HydrophobicContact CB-CB 4.08Å; D280-H300 WeakPolarHBondContact OD2-CA 2.84Å; D280-H300 WeakPolarHBondContact OD2-CB 3.47Å; D280-H300 IonicContact OD2-CD2 2.73Å; D280-H300 IonicContact OD2-CG 3.04Å; D280-Q301 PolarHBondContact OD2-N 2.9Å
281C65.1Low59.3Low47 Ų4765.4 Ų65.432%0.31837%0.365SS..THydrogen-bonded Turntrans-100.2-14.4179.964.50000113.7C278 V283C278-C281 HydrophobicContact CB-CB 4.42Å; C278-C281 WeakPolarHBondContact CB-SG 3.49Å; C278-C281 WeakPolarHBondContact SG-CB 3.43Å; C278-C281 PolarHBondContact SG-N 2.71Å; C278-C281 CovalentContact SG-SG 2.06Å; C278-C281 PolarHBondContact SG-SG 3.01Å; C281-V283 PolarHBondContact O-N 3.08Å
282G56.4Low60.1Low21 Ų2159.7 Ų59.722%0.21633%0.328CS..  trans73.14.8177.400000115.2H262 C278H262-G282 WeakPolarHBondContact CB-O 3.49Å; C278-G282 VanDerWaalsContact O-CA 3.24Å; C278-G282 WeakPolarHBondContact O-CA 3.41Å; C278-G282 PolarHBondContact O-N 3.4Å
283V61.8Low60.9Low31 Ų3157.1 Ų57.119%0.18831%0.31CS..EExtended strand (participates in β ladder)trans-94.6139.9-173.8179.30000111.5D263 C265 C278 C281 H285D263-V283 HydrophobicContact CB-CG2 4.08Å; D263-V283 WeakPolarHBondContact O-CA 3.35Å; D263-V283 WeakPolarHBondContact O-CG1 3.26Å; C265-V283 HydrophobicContact CB-CG1 4.09Å; C278-V283 PolarHBondContact N-O 3.12Å; C281-V283 PolarHBondContact O-N 3.08Å; V283-H285 PolarHBondContact O-CD2 3.31Å
284L58.3Low61.5Low20 Ų2060.1 Ų60.111%0.10532%0.322CS..EExtended strand (participates in β ladder)trans-93.4129.9173.5-74.8165000111H262 D263 L264 C265 L268 R277 A305H262-L284 HydrophobicContact CB-CD1 3.71Å; H262-L284 HydrophobicContact CB-CG 4Å; D263-L284 PolarHBondContact O-N 3.19Å; L264-L284 HydrophobicContact CD2-CB 4.04Å; L264-L284 HydrophobicContact CD2-CD1 3.8Å; C265-L284 PolarHBondContact N-O 3.2Å; L268-L284 HydrophobicContact CD1-CB 4.34Å; R277-L284 HydrophobicContact CB-CD2 3.61Å; R277-L284 HydrophobicContact CG-CD2 4.07Å; L284-A305 HydrophobicContact CD2-CB 3.96Å
285H61.1Low61.9Low5 Ų557.5 Ų57.52%0.02330%0.304CS..EExtended strand (participates in β ladder)trans-122.2146.2-178.7-61.5-83.3000111L275 Q276 V283 C289 L292L275-H285 CarbonylContact C-O 3.59Å; L275-H285 WeakPolarHBondContact CA-O 3.44Å; Q276-H285 PolarHBondContact N-O 3.45Å; Q276-H285 PolarHBondContact O-N 3.24Å; V283-H285 PolarHBondContact O-CD2 3.31Å; H285-C289 HydrophobicContact CB-CB 4.03Å; H285-L292 HydrophobicContact CB-CB 3.95Å; H285-L292 HydrophobicContact CB-CD1 4.29Å; H285-L292 HydrophobicContact CB-CD2 4.47Å; H285-L292 HydrophobicContact CB-CG 4.46Å
286D59.4Low62.1Low15 Ų1560.6 Ų60.68%0.0831%0.311CS..EExtended strand (participates in β ladder)trans-70.7150.6160.1-17774.3000110.7L268 L273 S274 T288 C289L268-D286 HydrophobicContact CD2-CB 4.22Å; L273-D286 WeakPolarHBondContact CA-OD1 3.28Å; L273-D286 HydrophobicContact CD2-CB 4.01Å; S274-D286 PolarHBondContact N-OD1 2.84Å; S274-D286 CarbonylContact O-C 3.51Å; D286-T288 PolarHBondContact O-N 3.46Å; D286-T288 WeakPolarHBondContact OD2-CB 3.48Å; D286-T288 PolarHBondContact OD2-N 3.33Å; D286-T288 PolarHBondContact OD2-OG1 3.3Å; D286-C289 WeakPolarHBondContact O-CB 3.4Å; D286-C289 PolarHBondContact O-N 3.43Å
287I61Low62.3Low90 Ų9065.6 Ų65.646%0.46234%0.338SS..THydrogen-bonded Turntrans-55.1-26.4179.5-165.9169.2000113.4S274S274-I287 PolarHBondContact O-N 3.49Å
288T52.2Low61.8Low117 Ų11767 Ų6772%0.71835%0.349SS*.THydrogen-bonded Turntrans-932.7178.465.30000114D286 V290D286-T288 PolarHBondContact O-N 3.46Å; D286-T288 WeakPolarHBondContact OD2-CB 3.48Å; D286-T288 PolarHBondContact OD2-N 3.33Å; D286-T288 PolarHBondContact OD2-OG1 3.3Å; T288-V290 PolarHBondContact O-N 3.03Å
289C55.5Low61.5Low12 Ų1277.7 Ų77.78%0.08139%0.389CS..  trans-69.1127.9-175.7-175.90000112.6C267 H285 D286 R291 L292C267-C289 VanDerWaalsContact SG-SG 3.65Å; H285-C289 HydrophobicContact CB-CB 4.03Å; D286-C289 WeakPolarHBondContact O-CB 3.4Å; D286-C289 PolarHBondContact O-N 3.43Å; C289-R291 VanDerWaalsContact C-N 3.25Å; C289-R291 PolarHBondContact O-N 3.5Å; C289-L292 HydrophobicContact CB-CB 4.15Å; C289-L292 VanDerWaalsContact O-CB 3.24Å; C289-L292 WeakPolarHBondContact O-CB 3.47Å; C289-L292 PolarHBondContact O-N 2.82Å
290V57.2Low61.7Low121 Ų12177.4 Ų77.473%0.73339%0.386SS*.Hα-helixtrans-61.8-33178.2-178.20000112.3T288 L292 T293T288-V290 PolarHBondContact O-N 3.03Å; V290-L292 VanDerWaalsContact C-N 3.28Å; V290-L292 PolarHBondContact O-N 3.28Å; V290-T293 WeakPolarHBondContact O-CB 3.12Å; V290-T293 PolarHBondContact O-N 2.95Å
291R59.4Low61.5Low169 Ų16978.8 Ų78.864%0.63839%0.389SS*.Hα-helixtrans-73.4-18.8178.1-57.8-168.772.9-172.60.6113.3C289 T293 E294 C295C289-R291 VanDerWaalsContact C-N 3.25Å; C289-R291 PolarHBondContact O-N 3.5Å; R291-T293 VanDerWaalsContact C-N 3.34Å; R291-E294 PolarHBondContact O-N 3.44Å; R291-C295 PolarHBondContact O-N 3.43Å; R291-C295 PolarHBondContact O-SG 3.02Å; R291-C295 VanDerWaalsContact O-SG 3.38Å
292L61.2Low61.5Low1 Ų178.2 Ų78.21%0.00538%0.384CS..Hα-helixtrans-69.3-35.9170.7176.262.3000111Q276 H285 C289 V290 E294 C295 R296 V302Q276-L292 HydrophobicContact CB-CD1 4.34Å; Q276-L292 HydrophobicContact CB-CD2 4.13Å; Q276-L292 HydrophobicContact CG-CD2 4.16Å; H285-L292 HydrophobicContact CB-CB 3.95Å; H285-L292 HydrophobicContact CB-CD1 4.29Å; H285-L292 HydrophobicContact CB-CD2 4.47Å; H285-L292 HydrophobicContact CB-CG 4.46Å; C289-L292 HydrophobicContact CB-CB 4.15Å; C289-L292 VanDerWaalsContact O-CB 3.24Å; C289-L292 WeakPolarHBondContact O-CB 3.47Å; C289-L292 PolarHBondContact O-N 2.82Å; V290-L292 VanDerWaalsContact C-N 3.28Å; V290-L292 PolarHBondContact O-N 3.28Å; L292-E294 VanDerWaalsContact C-N 3.29Å; L292-E294 PolarHBondContact O-N 3.15Å; L292-C295 PolarHBondContact O-N 3.47Å; L292-R296 WeakPolarHBondContact O-CG 3.2Å; L292-R296 PolarHBondContact O-N 3.45Å; L292-V302 HydrophobicContact CD1-CB 4.37Å; L292-V302 HydrophobicContact CD1-CG1 3.72Å; L292-V302 HydrophobicContact CD1-CG2 3.96Å
293T58.4Low61.9Low78 Ų7882.3 Ų82.348%0.47940%0.398SS..Hα-helixtrans-62.3-39.9175.4-47.70000111V290 R291 R296 L297V290-T293 WeakPolarHBondContact O-CB 3.12Å; V290-T293 PolarHBondContact O-N 2.95Å; R291-T293 VanDerWaalsContact C-N 3.34Å; T293-R296 PolarHBondContact O-N 2.96Å; T293-L297 HydrophobicContact CG2-CD1 4.07Å; T293-L297 WeakPolarHBondContact O-CB 3.44Å; T293-L297 WeakPolarHBondContact O-CD1 3.39Å; T293-L297 PolarHBondContact O-N 2.76Å
294E65.6Low61.5Low117 Ų11784.6 Ų84.655%0.54741%0.413SS..Hα-helixtrans-66.3-41.5176.2-166.6126.3-142.400112.3R291 L292 R296 L297 Q298R291-E294 PolarHBondContact O-N 3.44Å; L292-E294 VanDerWaalsContact C-N 3.29Å; L292-E294 PolarHBondContact O-N 3.15Å; E294-R296 VanDerWaalsContact C-N 3.3Å; E294-R296 PolarHBondContact O-N 2.72Å; E294-L297 PolarHBondContact O-N 3.19Å; E294-Q298 WeakPolarHBondContact O-CG 3.23Å; E294-Q298 PolarHBondContact O-N 2.89Å
295C64.8Low61.5Low17 Ų1786.2 Ų86.212%0.11543%0.43CS..Hα-helixtrans-61.6-38.3173.5-67.20000112R291 L292 Q298 R299 H300R291-C295 PolarHBondContact O-N 3.43Å; R291-C295 PolarHBondContact O-SG 3.02Å; R291-C295 VanDerWaalsContact O-SG 3.38Å; L292-C295 PolarHBondContact O-N 3.47Å; C295-Q298 PolarHBondContact O-N 2.85Å; C295-R299 PolarHBondContact O-N 2.99Å; C295-H300 HydrophobicContact CB-CB 4.28Å; C295-H300 WeakPolarHBondContact O-CB 3.28Å; C295-H300 PolarHBondContact O-N 3.43Å
296R67.3Low60.8Low127 Ų12791.1 Ų91.148%0.47946%0.464SS..Hα-helixtrans-69.9-38.7175.7-72.6174.8174.1167-0.7112.7L292 T293 E294 Q298 R299L292-R296 WeakPolarHBondContact O-CG 3.2Å; L292-R296 PolarHBondContact O-N 3.45Å; T293-R296 PolarHBondContact O-N 2.96Å; E294-R296 VanDerWaalsContact C-N 3.3Å; E294-R296 PolarHBondContact O-N 2.72Å; R296-Q298 VanDerWaalsContact C-N 3.29Å; R296-Q298 PolarHBondContact O-N 2.91Å; R296-R299 WeakPolarHBondContact O-CA 3.29Å; R296-R299 PolarHBondContact O-N 3Å
297L65.4Low59.6Low136 Ų13693.9 Ų93.971%0.71250%0.496SS*.Hα-helixtrans-62.3-37.2174.2-87.4151.2000111.9T293 E294 R299T293-L297 HydrophobicContact CG2-CD1 4.07Å; T293-L297 WeakPolarHBondContact O-CB 3.44Å; T293-L297 WeakPolarHBondContact O-CD1 3.39Å; T293-L297 PolarHBondContact O-N 2.76Å; E294-L297 PolarHBondContact O-N 3.19Å; L297-R299 PolarHBondContact O-N 2.89Å
298Q61.8Low58.2Low119 Ų11996.2 Ų96.256%0.55652%0.515SS*.THydrogen-bonded Turntrans-805173.8-65.5-174-3.200113.6E294 C295 R296 H300E294-Q298 WeakPolarHBondContact O-CG 3.23Å; E294-Q298 PolarHBondContact O-N 2.89Å; C295-Q298 PolarHBondContact O-N 2.85Å; R296-Q298 VanDerWaalsContact C-N 3.29Å; R296-Q298 PolarHBondContact O-N 2.91Å; Q298-H300 VanDerWaalsContact C-N 3.28Å; Q298-H300 PolarHBondContact O-N 2.8Å
299R66.4Low57.4Low225 Ų22595.9 Ų95.985%0.84951%0.514SS*.THydrogen-bonded Turntrans59.629.5-179.4-59.8-170.9173.3-114.91.1114.9C295 R296 L297C295-R299 PolarHBondContact O-N 2.99Å; R296-R299 WeakPolarHBondContact O-CA 3.29Å; R296-R299 PolarHBondContact O-N 3Å; L297-R299 PolarHBondContact O-N 2.89Å
300H72.8Confident56.1Low58 Ų58105 Ų10527%0.26956%0.556SS.*  trans-67.7143.4170.4-63.1165.8000111D280 C295 Q298D280-H300 HydrophobicContact CB-CB 4.08Å; D280-H300 WeakPolarHBondContact OD2-CA 2.84Å; D280-H300 WeakPolarHBondContact OD2-CB 3.47Å; D280-H300 IonicContact OD2-CD2 2.73Å; D280-H300 IonicContact OD2-CG 3.04Å; C295-H300 HydrophobicContact CB-CB 4.28Å; C295-H300 WeakPolarHBondContact O-CB 3.28Å; C295-H300 PolarHBondContact O-N 3.43Å; Q298-H300 VanDerWaalsContact C-N 3.28Å; Q298-H300 PolarHBondContact O-N 2.8Å
301Q61.3Low54.9Low128 Ų128106 Ų10660%0.59856%0.562SS**  trans-74.5124.9175.5-71.3-173.924.200109.8C278 L279 D280C278-Q301 CarbonylContact C-O 3.55Å; C278-Q301 WeakPolarHBondContact CA-O 3.29Å; L279-Q301 HydrophobicContact CB-CB 4.39Å; L279-Q301 HydrophobicContact CD1-CB 4.34Å; L279-Q301 PolarHBondContact N-O 3.13Å; D280-Q301 PolarHBondContact OD2-N 2.9Å
302V64.1Low53.4Low35 Ų35101.2 Ų101.221%0.21257%0.566CS.*EExtended strand (participates in β ladder)trans-125.7126.6-179.8-170.40000109.8Q276 R277 C278 L292Q276-V302 HydrophobicContact CB-CG1 3.71Å; R277-V302 CarbonylContact O-C 3.6Å; R277-V302 VanDerWaalsContact O-CA 3.23Å; R277-V302 WeakPolarHBondContact O-CA 3.29Å; R277-V302 WeakPolarHBondContact O-CG1 3.24Å; C278-V302 HydrophobicContact CB-CG2 4.26Å; L292-V302 HydrophobicContact CD1-CB 4.37Å; L292-V302 HydrophobicContact CD1-CG1 3.72Å; L292-V302 HydrophobicContact CD1-CG2 3.96Å
303E64.1Low52.2Low108 Ų108107.5 Ų107.551%0.50561%0.607SS.*EExtended strand (participates in β ladder)trans-118.2145.8179.3-67.4-171.9154.800111.9Q276 R277 L279 A305Q276-E303 CarbonylContact C-O 3.6Å; R277-E303 PolarHBondContact N-O 3Å; R277-E303 PolarHBondContact O-N 3.37Å; L279-E303 HydrophobicContact CD1-CG 4Å; L279-E303 HydrophobicContact CG-CG 4.47Å; E303-A305 PolarHBondContact O-N 3.34Å
304P55.1Low50.9Low78 Ų78112.8 Ų112.851%0.50663%0.626SS.*EExtended strand (participates in β ladder)trans-64.6130.4171.425.5-30.6000110.2S306P304-S306 PolarHBondContact O-N 3.32Å
305A56.9Low49.2Very low55 Ų55114.1 Ų114.146%0.45564%0.642SS.*  trans-7966.6178.700000110.5L275 L284 E303L275-A305 HydrophobicContact CB-CB 4.13Å; L275-A305 PolarHBondContact O-N 3.48Å; L275-A305 VanDerWaalsContact O-N 3.1Å; L284-A305 HydrophobicContact CD2-CB 3.96Å; E303-A305 PolarHBondContact O-N 3.34Å
306S46.5Very low47.8Very low107 Ų107116.8 Ų116.875%0.74867%0.673SS**  trans-99118.6-177.8-49.80000110.5P304P304-S306 PolarHBondContact O-N 3.32Å
307G35Very low45.9Very low73 Ų73117.8 Ų117.875%0.75369%0.692SS**  trans-127108.3165.600000110.3
308V30.7Very low44.2Very low140 Ų140119.9 Ų119.985%0.84870%0.699SS**  175.9133.2128.9172.80000107.4
309P35Very low42.7Very low110 Ų110123.9 Ų123.971%0.71471%0.708SS**PPolyproline II helixtrans-90.6136.9-175.134.6-32.1000113.1
310E28.9Very low40.9Very low203 Ų203119.3 Ų119.395%0.94971%0.708SS**PPolyproline II helixtrans-82.4128.3162.7-67.7-163.7158.900109.6
311T32.5Very low39.4Very low142 Ų142125.9 Ų125.987%0.87173%0.731SS**PPolyproline II helixtrans-101.2128.9176.336.80000109.7
312G26.9Very low38.2Very low69 Ų69127.5 Ų127.571%0.71174%0.743SS**  trans-163.9123.4166.500000109
313P36.3Very low36.7Very low133 Ų133130.7 Ų130.786%0.86477%0.773SS**  trans-86.6145.8-161.633.3-33.4000113.6
314E32.2Very low35.3Very low188 Ų188131.7 Ų131.788%0.87979%0.786SS**  trans-62.7139.8171.2-54.9179.3152.300111.9
315T29.4Very low34.3Very low146 Ų146133.7 Ų133.790%0.89680%0.8SS**  trans-141.4122.9142.543.40000108.5
316G34.3Very low33.2Very low73 Ų73139.7 Ų139.775%0.75382%0.818SS**  trans-86.3151.1-176.500000113.1
317V29.3Very low32.7Very low147 Ų147141 Ų14189%0.89182%0.817SS**  trans-147.9149.7154-176.50000108.4
318E28.9Very low32.8Very low181 Ų181143.4 Ų143.485%0.84682%0.817SS**  trans-60.8160.9-162.1-59.8167.4128.100117.9
319R30Very low33.3Very low202 Ų202139 Ų13976%0.76280%0.795SS**  trans-62.6151.3174.4-67.5170.763.9174.44.9112.8
320P29.4Very low34Very low130 Ų130136.1 Ų136.184%0.84478%0.781SS**  -119.1159119.7-3.423.9000113.2
321R41.2Very low35.4Very low196 Ų196133 Ų13374%0.7477%0.765SS**  trans-75.1160.3-179.4-67.6169168.1173.1-4.8111.2
322D36Very low36.9Very low162 Ų162133.4 Ų133.487%0.86676%0.756SS**  trans104.884.6165.4-52.4-25.7000116.1
323A31.7Very low39.2Very low102 Ų102133.2 Ų133.284%0.84374%0.743SS**  trans-169.7134.9138.500000110.7
324V35.7Very low41.3Very low128 Ų128127.3 Ų127.378%0.77670%0.704SS**  trans-25135.7173.5-173.50000115.6E326V324-E326 PolarHBondContact O-N 3.41Å; V324-E326 VanDerWaalsContact O-N 3.09Å
325P33.8Very low43.6Very low121 Ų121121.8 Ų121.879%0.78669%0.686SS**  trans-69.8108171.929.1-31.5000109.8D327P325-D327 PolarHBondContact O-N 3.12Å
326E34.3Very low46.1Very low181 Ų181117.3 Ų117.385%0.84665%0.653SS**  trans-68.8120.4163.2-92.5-174.6147.900109.2V324 T328V324-E326 PolarHBondContact O-N 3.41Å; V324-E326 VanDerWaalsContact O-N 3.09Å; E326-T328 PolarHBondContact O-N 3.45Å
327D34.8Very low48.3Very low134 Ų134117.5 Ų117.572%0.71763%0.634SS**  trans-73.491.8-170.5-148.7-5.2000110.1P325 A329 A330P325-D327 PolarHBondContact O-N 3.12Å; D327-A329 PolarHBondContact O-N 2.85Å; D327-A330 PolarHBondContact O-N 3.33Å
328T36.9Very low50.4Low123 Ų123112.5 Ų112.576%0.75561%0.605SS**G310 helixtrans-64.27.6173.441.90000113.8E326 A330E326-T328 PolarHBondContact O-N 3.45Å; T328-A330 VanDerWaalsContact C-N 3.28Å; T328-A330 PolarHBondContact O-N 3.05Å
329A42.7Very low52.5Low47 Ų47112 Ų11239%0.38860%0.603SS.*G310 helixtrans-77.5-3.3171.800000113.8D327 F331 R353D327-A329 PolarHBondContact O-N 2.85Å; A329-F331 PolarHBondContact O-N 3.37Å; A329-F331 VanDerWaalsContact O-N 3.13Å; A329-R353 VanDerWaalsContact O-CZ 3.27Å; A329-R353 PolarHBondContact O-NH1 2.89Å; A329-R353 PolarHBondContact O-NH2 2.87Å
330A49Very low54.4Low50 Ų50104.7 Ų104.741%0.41359%0.585SS.*G310 helixtrans-742.6-172.500000116.3D327 T328D327-A330 PolarHBondContact O-N 3.33Å; T328-A330 VanDerWaalsContact C-N 3.28Å; T328-A330 PolarHBondContact O-N 3.05Å
331F57.1Low56.4Low139 Ų13998.5 Ų98.561%0.6155%0.545SS*.G310 helixtrans-93.4-10.5-170.5-69.9-80.7000115.9A329A329-F331 PolarHBondContact O-N 3.37Å; A329-F331 VanDerWaalsContact O-N 3.13Å
332Q64.4Low57.7Low150 Ų15091 Ų9170%0.70152%0.523SS*.SBendtrans-101.4131.9-179.9-69.2-174.3-14.300112.2R353Q332-R353 PolarHBondContact O-NH2 2.95Å
333P74.9Confident59.3Low65 Ų6586 Ų8642%0.42250%0.504SS..PPolyproline II helixtrans-65.2141.3173.827.3-32.5000110.4S335 L393 Y394P333-S335 PolarHBondContact O-N 3.46Å; P333-L393 CarbonylContact C-O 3.59Å; P333-L393 WeakPolarHBondContact CA-O 3.45Å; P333-L393 HydrophobicContact CB-CB 4.25Å; P333-Y394 HydrophobicContact CB-CE1 4.41Å
334I81.5Confident61.2Low9 Ų984.4 Ų84.45%0.04648%0.481CS..PPolyproline II helixtrans-60128.5170.9-59.9162.3000107.5L348 R353 V355 L393I334-L348 HydrophobicContact CD1-CD1 3.88Å; I334-L348 HydrophobicContact CD1-CD2 4.26Å; I334-L348 HydrophobicContact CG1-CD1 4.45Å; I334-L348 HydrophobicContact CG2-CD1 3.53Å; I334-R353 WeakPolarHBondContact CA-O 3.45Å; I334-R353 VanDerWaalsContact CG2-O 3.3Å; I334-R353 WeakPolarHBondContact CG2-O 3.4Å; I334-V355 HydrophobicContact CG2-CG2 3.6Å; I334-L393 HydrophobicContact CB-CB 4.47Å; I334-L393 VanDerWaalsContact CB-O 3.29Å; I334-L393 WeakPolarHBondContact CB-O 3.46Å; I334-L393 WeakPolarHBondContact CD1-O 3.32Å; I334-L393 WeakPolarHBondContact CG1-O 3.13Å; I334-L393 PolarHBondContact N-O 3.1Å
335S80.4Confident63.4Low72 Ų7278.5 Ų78.550%0.50345%0.446SS..EExtended strand (participates in β ladder)trans-92.4154.7-179.757.10000111.8P333 R353 A354 V355P333-S335 PolarHBondContact O-N 3.46Å; S335-R353 PolarHBondContact N-O 3Å; S335-A354 CarbonylContact O-C 3.53Å; S335-A354 VanDerWaalsContact O-CA 3.31Å; S335-A354 WeakPolarHBondContact O-CA 3.31Å; S335-V355 PolarHBondContact O-N 3.33Å
336Y80.9Confident65.6Low52 Ų5275.5 Ų75.520%0.20442%0.421CS..EExtended strand (participates in β ladder)trans-78.2126.9165.1-67-82.2000108.9A341 P345 V355 L393 T421Y336-A341 HydrophobicContact CD1-CB 4.15Å; Y336-A341 WeakPolarHBondContact CD1-O 3.47Å; Y336-A341 WeakPolarHBondContact CE1-O 3.31Å; Y336-P345 HydrophobicContact CE1-CB 4.29Å; Y336-P345 HydrophobicContact CE1-CG 4.49Å; Y336-V355 HydrophobicContact CD1-CB 3.77Å; Y336-V355 HydrophobicContact CD1-CG1 3.96Å; Y336-V355 HydrophobicContact CD1-CG2 4.37Å; Y336-V355 HydrophobicContact CE1-CB 4.09Å; Y336-V355 HydrophobicContact CE1-CG1 3.96Å; Y336-V355 HydrophobicContact CE1-CG2 4.38Å; Y336-L393 HydrophobicContact CE2-CD1 4.06Å; Y336-L393 HydrophobicContact CE2-CD2 3.96Å; Y336-T421 HydrophobicContact CE2-CG2 4.22Å
337H80.3Confident67.9Low76 Ų7667 Ų6735%0.35238%0.382SS..SBendtrans-67.2-39.5179.9174-95.5000112.3A354 V355 H356 E362H337-A354 HydrophobicContact CB-CB 4.3Å; H337-V355 WeakPolarHBondContact CB-O 3.26Å; H337-V355 PolarHBondContact N-O 3.08Å; H337-H356 AromaticContact CG-CE1 3.76Å; H337-H356 AromaticContact CG-ND1 3.69Å; H337-H356 AromaticContact ND1-ND1 3.89Å; H337-E362 IonicContact CD2-OE2 3.25Å; H337-E362 IonicContact CE1-OE1 2.77Å; H337-E362 IonicContact CE1-OE2 3.64Å; H337-E362 PolarHBondContact CE1-OE2 2.96Å; H337-E362 IonicContact NE2-OE1 3.68Å; H337-E362 IonicContact NE2-OE2 3.88Å; H337-E362 PolarHBondContact NE2-OE2 2.76Å
338C75.3Confident70.4Confident42 Ų4260.8 Ų60.828%0.28435%0.348SS..SBendtrans-148.3165.1-178.7610000111.3A340 A341 S342C338-A340 PolarHBondContact O-N 3.34Å; C338-A341 WeakPolarHBondContact O-CA 3.48Å; C338-A341 WeakPolarHBondContact O-CB 3.44Å; C338-A341 PolarHBondContact O-N 3.14Å; C338-S342 PolarHBondContact O-N 2.94Å
339E71.7Confident72.6Confident171 Ų17154.9 Ų54.980%0.79931%0.312SS*.Hα-helixtrans-59.3-33.7178-63.7-179.8170.200113A341 S342 A343E339-A341 PolarHBondContact O-N 3.33Å; E339-S342 PolarHBondContact O-N 3.1Å; E339-S342 PolarHBondContact O-OG 2.85Å; E339-A343 PolarHBondContact O-N 3.07Å
340A70.7Confident74.4Confident48 Ų4856.2 Ų56.240%0.39731%0.312SS..Hα-helixtrans-62.8-26172.800000112.6C338 N344C338-A340 PolarHBondContact O-N 3.34Å; A340-N344 PolarHBondContact O-N 2.83Å
341A70.1Confident75.8Confident0 Ų057.8 Ų57.80%032%0.317CS..Hα-helixtrans-79.6-31.4176.100000113.1Y336 C338 E339 P345 V355Y336-A341 HydrophobicContact CD1-CB 4.15Å; Y336-A341 WeakPolarHBondContact CD1-O 3.47Å; Y336-A341 WeakPolarHBondContact CE1-O 3.31Å; C338-A341 WeakPolarHBondContact O-CA 3.48Å; C338-A341 WeakPolarHBondContact O-CB 3.44Å; C338-A341 PolarHBondContact O-N 3.14Å; E339-A341 PolarHBondContact O-N 3.33Å; A341-P345 VanDerWaalsContact O-CA 3.28Å; A341-P345 WeakPolarHBondContact O-CA 3.32Å; A341-P345 VanDerWaalsContact O-CB 3.27Å; A341-P345 WeakPolarHBondContact O-CB 3.23Å; A341-P345 VanDerWaalsContact O-CD 3.26Å; A341-P345 WeakPolarHBondContact O-CD 3.37Å; A341-V355 WeakPolarHBondContact CB-O 3.24Å
342S69.3Low76.8Confident39 Ų3954.1 Ų54.127%0.27331%0.308SS..Hα-helixtrans-73.3-35.6172.358.20000111.4C338 E339C338-S342 PolarHBondContact O-N 2.94Å; E339-S342 PolarHBondContact O-N 3.1Å; E339-S342 PolarHBondContact O-OG 2.85Å
343A69.6Low77.6Confident57 Ų5750.9 Ų50.947%0.47129%0.289SS..Hα-helixtrans-73.2-39.7177.100000113.8E339E339-A343 PolarHBondContact O-N 3.07Å
344N72.5Confident78Confident68 Ų6848.2 Ų48.236%0.36427%0.272SS..SBendtrans-144.773.7-178.8-170.910.1000112.1A340 H346 G357 S358A340-N344 PolarHBondContact O-N 2.83Å; N344-H346 PolarHBondContact O-N 3.02Å; N344-G357 WeakPolarHBondContact O-CA 3.42Å; N344-S358 PolarHBondContact ND2-OG 2.89Å
345P80.3Confident78.2Confident5 Ų547.8 Ų47.83%0.03227%0.27CS..EExtended strand (participates in β ladder)trans-64.7124.4-179.320-25.4000111Y336 A341 V355 L375 P388 L391Y336-P345 HydrophobicContact CE1-CB 4.29Å; Y336-P345 HydrophobicContact CE1-CG 4.49Å; A341-P345 VanDerWaalsContact O-CA 3.28Å; A341-P345 WeakPolarHBondContact O-CA 3.32Å; A341-P345 VanDerWaalsContact O-CB 3.27Å; A341-P345 WeakPolarHBondContact O-CB 3.23Å; A341-P345 VanDerWaalsContact O-CD 3.26Å; A341-P345 WeakPolarHBondContact O-CD 3.37Å; P345-V355 HydrophobicContact CB-CG1 3.49Å; P345-V355 VanDerWaalsContact CB-CG1 3.49Å; P345-L375 HydrophobicContact CB-CD1 3.93Å; P345-P388 HydrophobicContact CG-CB 4.49Å; P345-P388 HydrophobicContact CG-CG 3.85Å; P345-L391 HydrophobicContact CB-CD2 4.45Å
346H81.3Confident78.3Confident57 Ų5744.5 Ų44.526%0.26425%0.247SC..EExtended strand (participates in β ladder)trans-129.3-25-173.3-173.3-63.9000113N344 H356 L375N344-H346 PolarHBondContact O-N 3.02Å; H346-H356 PolarHBondContact N-O 3.31Å; H346-L375 PolarHBondContact O-N 3.11Å
347L82.9Confident78.3Confident4 Ų442.2 Ų42.22%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-141.5127.4-176.4-171.177.9000110.2H356 G363 R367 T372 R374L347-H356 HydrophobicContact CB-CB 4.31Å; L347-H356 PolarHBondContact N-O 3.41Å; L347-H356 PolarHBondContact O-N 2.9Å; L347-G363 WeakPolarHBondContact CD2-O 3.35Å; L347-R367 HydrophobicContact CD2-CB 4.12Å; L347-T372 HydrophobicContact CD2-CG2 4.2Å; L347-T372 HydrophobicContact CG-CG2 4.4Å; L347-R374 HydrophobicContact CD1-CG 4.22Å
348L86.6Confident78.2Confident2 Ų241.7 Ų41.71%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-100.2125.1170.1172.662000109.5I334 L350 V355 T372 R373 L375I334-L348 HydrophobicContact CD1-CD1 3.88Å; I334-L348 HydrophobicContact CD1-CD2 4.26Å; I334-L348 HydrophobicContact CG1-CD1 4.45Å; I334-L348 HydrophobicContact CG2-CD1 3.53Å; L348-L350 HydrophobicContact CD2-CD2 3.89Å; L348-L350 HydrophobicContact CG-CD2 4.18Å; L348-V355 HydrophobicContact CD1-CG2 4.19Å; L348-T372 CarbonylContact O-C 3.58Å; L348-T372 WeakPolarHBondContact O-CA 3.37Å; L348-R373 PolarHBondContact N-O 3.21Å; L348-R373 PolarHBondContact O-N 2.99Å; L348-L375 HydrophobicContact CB-CD2 4.41Å; L348-L375 HydrophobicContact CB-CG 4.45Å
349C82.7Confident78.3Confident0 Ų043 Ų430%026%0.257CS..EExtended strand (participates in β ladder)trans-94.7113.2169.4-172.40000109.7T351 C352 R353 A354 C366 H370 T372C349-T351 VanDerWaalsContact C-N 3.34Å; C349-C352 HydrophobicContact CB-CB 4.15Å; C349-C352 PolarHBondContact SG-N 3.28Å; C349-C352 VanDerWaalsContact SG-SG 3.62Å; C349-R353 VanDerWaalsContact O-CA 3.22Å; C349-R353 WeakPolarHBondContact O-CA 3.36Å; C349-R353 PolarHBondContact O-N 2.86Å; C349-A354 PolarHBondContact N-O 3.5Å; C349-A354 PolarHBondContact O-N 3.41Å; C349-C366 HydrophobicContact CB-CB 4.29Å; C349-H370 WeakPolarHBondContact SG-CB 3.13Å; C349-T372 HydrophobicContact CB-CG2 4.24Å
350L81.6Confident78.6Confident74 Ų7435.4 Ų35.439%0.38722%0.223SC..THydrogen-bonded Turntrans-74.4-28.7178.7-63.5172.7000111.6L348 R371L348-L350 HydrophobicContact CD2-CD2 3.89Å; L348-L350 HydrophobicContact CG-CD2 4.18Å; L350-R371 HydrophobicContact CB-CB 4.44Å; L350-R371 WeakPolarHBondContact CB-O 3.35Å; L350-R371 HydrophobicContact CD1-CG 4.09Å; L350-R371 PolarHBondContact N-O 2.86Å
351T77.8Confident78.8Confident84 Ų8438 Ų3852%0.51523%0.234SC..THydrogen-bonded Turntrans-72.2-47.5177.5-50.20000111.7C349 H370 R371C349-T351 VanDerWaalsContact C-N 3.34Å; T351-H370 HydrophobicContact CG2-CB 4.47Å; T351-R371 PolarHBondContact OG1-N 3.19Å; T351-R371 VanDerWaalsContact OG1-N 3.13Å
352C79Confident79Confident61 Ų6143 Ų4341%0.41226%0.257SS..THydrogen-bonded Turntrans-85.7-11.3179.4-58.60000113.8C349 A354 H370C349-C352 HydrophobicContact CB-CB 4.15Å; C349-C352 PolarHBondContact SG-N 3.28Å; C349-C352 VanDerWaalsContact SG-SG 3.62Å; C352-A354 VanDerWaalsContact C-N 3.27Å; C352-A354 HydrophobicContact CB-CB 4.22Å; C352-A354 PolarHBondContact O-N 3.12Å; C352-H370 PolarHBondContact SG-CE1 2.96Å; C352-H370 PolarHBondContact SG-ND1 3.3Å
353R81.1Confident79.4Confident83 Ų8341.3 Ų41.331%0.31325%0.246SC..THydrogen-bonded Turntrans51.445.9-170.4-52.8-174.180.5138.3-7.4112.8A329 Q332 I334 S335 C349A329-R353 VanDerWaalsContact O-CZ 3.27Å; A329-R353 PolarHBondContact O-NH1 2.89Å; A329-R353 PolarHBondContact O-NH2 2.87Å; Q332-R353 PolarHBondContact O-NH2 2.95Å; I334-R353 WeakPolarHBondContact CA-O 3.45Å; I334-R353 VanDerWaalsContact CG2-O 3.3Å; I334-R353 WeakPolarHBondContact CG2-O 3.4Å; S335-R353 PolarHBondContact N-O 3Å; C349-R353 VanDerWaalsContact O-CA 3.22Å; C349-R353 WeakPolarHBondContact O-CA 3.36Å; C349-R353 PolarHBondContact O-N 2.86Å
354A83.3Confident79.6Confident8 Ų846.7 Ų46.77%0.06625%0.254CS..EExtended strand (participates in β ladder)trans-129.2141.4-177.900000112.2S335 H337 C349 C352S335-A354 CarbonylContact O-C 3.53Å; S335-A354 VanDerWaalsContact O-CA 3.31Å; S335-A354 WeakPolarHBondContact O-CA 3.31Å; H337-A354 HydrophobicContact CB-CB 4.3Å; C349-A354 PolarHBondContact N-O 3.5Å; C349-A354 PolarHBondContact O-N 3.41Å; C352-A354 VanDerWaalsContact C-N 3.27Å; C352-A354 HydrophobicContact CB-CB 4.22Å; C352-A354 PolarHBondContact O-N 3.12Å
355V84.1Confident79.7Confident1 Ų148.7 Ų48.71%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-93.7131.4171.2-172.40000109.3I334 S335 Y336 H337 A341 P345 L348 L375 L391 L393I334-V355 HydrophobicContact CG2-CG2 3.6Å; S335-V355 PolarHBondContact O-N 3.33Å; Y336-V355 HydrophobicContact CD1-CB 3.77Å; Y336-V355 HydrophobicContact CD1-CG1 3.96Å; Y336-V355 HydrophobicContact CD1-CG2 4.37Å; Y336-V355 HydrophobicContact CE1-CB 4.09Å; Y336-V355 HydrophobicContact CE1-CG1 3.96Å; Y336-V355 HydrophobicContact CE1-CG2 4.38Å; H337-V355 WeakPolarHBondContact CB-O 3.26Å; H337-V355 PolarHBondContact N-O 3.08Å; A341-V355 WeakPolarHBondContact CB-O 3.24Å; P345-V355 HydrophobicContact CB-CG1 3.49Å; P345-V355 VanDerWaalsContact CB-CG1 3.49Å; L348-V355 HydrophobicContact CD1-CG2 4.19Å; V355-L375 HydrophobicContact CG1-CD1 3.99Å; V355-L391 HydrophobicContact CG1-CD2 4.15Å; V355-L391 HydrophobicContact CG2-CD2 3.87Å; V355-L393 HydrophobicContact CG2-CD2 4.36Å
356H83.4Confident79.6Confident3 Ų349 Ų491%0.01427%0.266CS..EExtended strand (participates in β ladder)trans-117.1143.1178.3-57.2-89.7000111.2H337 H346 L347 C360H337-H356 AromaticContact CG-CE1 3.76Å; H337-H356 AromaticContact CG-ND1 3.69Å; H337-H356 AromaticContact ND1-ND1 3.89Å; H346-H356 PolarHBondContact N-O 3.31Å; L347-H356 HydrophobicContact CB-CB 4.31Å; L347-H356 PolarHBondContact N-O 3.41Å; L347-H356 PolarHBondContact O-N 2.9Å; H356-C360 HydrophobicContact CB-CB 4.05Å; H356-C360 PolarHBondContact ND1-SG 3.5Å
357G80.4Confident79.5Confident4 Ų451.2 Ų51.24%0.04127%0.273CS..EExtended strand (participates in β ladder)trans-79.1164.9172.800000112.8N344 A359 C360N344-G357 WeakPolarHBondContact O-CA 3.42Å; G357-A359 PolarHBondContact O-N 3.44Å; G357-C360 VanDerWaalsContact O-CB 3.29Å; G357-C360 WeakPolarHBondContact O-CB 3.34Å; G357-C360 PolarHBondContact O-N 3.31Å; G357-C360 VanDerWaalsContact O-N 3.08Å
358S79Confident79Confident64 Ų6455.7 Ų55.745%0.44830%0.304SS..THydrogen-bonded Turntrans-59.7-31.4-179.758.60000113.7N344N344-S358 PolarHBondContact ND2-OG 2.89Å
359A77.8Confident78.5Confident69 Ų6959.2 Ų59.257%0.5733%0.333SS*.THydrogen-bonded Turntrans-91-2178.100000114.4G357 V361G357-A359 PolarHBondContact O-N 3.44Å; A359-V361 PolarHBondContact O-N 3.04Å
360C76.9Confident78.5Confident12 Ų1262.8 Ų62.88%0.08135%0.35CS..  trans-71.5120.7-176.2-1780000111.7H356 G357 G363 R364H356-C360 HydrophobicContact CB-CB 4.05Å; H356-C360 PolarHBondContact ND1-SG 3.5Å; G357-C360 VanDerWaalsContact O-CB 3.29Å; G357-C360 WeakPolarHBondContact O-CB 3.34Å; G357-C360 PolarHBondContact O-N 3.31Å; G357-C360 VanDerWaalsContact O-N 3.08Å; C360-G363 PolarHBondContact O-N 3.02Å; C360-G363 PolarHBondContact SG-N 2.99Å; C360-R364 PolarHBondContact O-N 2.83Å
361V75.8Confident78.5Confident104 Ų10468.3 Ų68.363%0.6337%0.366SS*.Hα-helixtrans-64.7-45.5179.9-179.70000111.2A359 G363 R364 L365A359-V361 PolarHBondContact O-N 3.04Å; V361-G363 PolarHBondContact O-N 3.22Å; V361-R364 WeakPolarHBondContact O-CB 3.41Å; V361-R364 PolarHBondContact O-N 3.21Å; V361-L365 PolarHBondContact O-N 3.35Å
362E73.1Confident78.8Confident103 Ų10366.3 Ų66.348%0.48135%0.354SS..Hα-helixtrans-64.1-29.3176.6-65.7-168.7-16000113H337 R364 L365 C366H337-E362 IonicContact CD2-OE2 3.25Å; H337-E362 IonicContact CE1-OE1 2.77Å; H337-E362 IonicContact CE1-OE2 3.64Å; H337-E362 PolarHBondContact CE1-OE2 2.96Å; H337-E362 IonicContact NE2-OE1 3.68Å; H337-E362 IonicContact NE2-OE2 3.88Å; H337-E362 PolarHBondContact NE2-OE2 2.76Å; E362-R364 PolarHBondContact O-N 3.49Å; E362-L365 PolarHBondContact O-N 2.99Å; E362-C366 PolarHBondContact O-N 3.38Å; E362-C366 PolarHBondContact O-SG 3.44Å
363G77.5Confident79.1Confident4 Ų467.8 Ų67.84%0.04135%0.35CS..Hα-helixtrans-61.8-33.2171.900000112.5L347 C360 V361 R367L347-G363 WeakPolarHBondContact CD2-O 3.35Å; C360-G363 PolarHBondContact O-N 3.02Å; C360-G363 PolarHBondContact SG-N 2.99Å; V361-G363 PolarHBondContact O-N 3.22Å; G363-R367 PolarHBondContact O-N 2.93Å
364R75.1Confident79.1Confident170 Ų17071.9 Ų71.964%0.64237%0.366SS*.Hα-helixtrans-68.9-39.4175-57.7-175.9-169.31794.1111.5C360 V361 E362 R367 S368C360-R364 PolarHBondContact O-N 2.83Å; V361-R364 WeakPolarHBondContact O-CB 3.41Å; V361-R364 PolarHBondContact O-N 3.21Å; E362-R364 PolarHBondContact O-N 3.49Å; R364-R367 WeakPolarHBondContact O-CB 3.39Å; R364-R367 PolarHBondContact O-N 3.3Å; R364-S368 PolarHBondContact O-N 2.85Å; R364-S368 PolarHBondContact O-OG 2.73Å
365L74.2Confident79Confident110 Ų11072.3 Ų72.358%0.57637%0.367SS*.Hα-helixtrans-67.2-43176.2-62.7174.5000111.5V361 E362 R367 S368 A369V361-L365 PolarHBondContact O-N 3.35Å; E362-L365 PolarHBondContact O-N 2.99Å; L365-R367 VanDerWaalsContact C-N 3.26Å; L365-R367 PolarHBondContact O-N 3.04Å; L365-S368 PolarHBondContact O-N 2.98Å; L365-S368 VanDerWaalsContact O-N 3.15Å; L365-S368 PolarHBondContact O-OG 3.45Å; L365-A369 WeakPolarHBondContact O-CB 3.31Å; L365-A369 PolarHBondContact O-N 3.04Å
366C77.5Confident78.4Confident11 Ų1173.6 Ų73.67%0.07438%0.38CS..Hα-helixtrans-60.7-36.3174.4-73.90000111.8C349 E362 S368 A369 H370 T372C349-C366 HydrophobicContact CB-CB 4.29Å; E362-C366 PolarHBondContact O-N 3.38Å; E362-C366 PolarHBondContact O-SG 3.44Å; C366-S368 VanDerWaalsContact C-N 3.29Å; C366-S368 PolarHBondContact O-N 2.9Å; C366-A369 PolarHBondContact O-N 3.49Å; C366-H370 WeakPolarHBondContact O-CA 3.35Å; C366-H370 WeakPolarHBondContact O-CB 3.44Å; C366-H370 PolarHBondContact O-N 3.39Å; C366-T372 HydrophobicContact CB-CG2 4.24Å; C366-T372 VanDerWaalsContact O-CG2 3.26Å; C366-T372 WeakPolarHBondContact O-CG2 3.31Å
367R78.9Confident78Confident105 Ų10577.4 Ų77.440%0.39640%0.404SS..Hα-helixtrans-62.1-35.3176.5-173.6-179.9-66.6-172.11113.1L347 G363 R364 L365L347-R367 HydrophobicContact CD2-CB 4.12Å; G363-R367 PolarHBondContact O-N 2.93Å; R364-R367 WeakPolarHBondContact O-CB 3.39Å; R364-R367 PolarHBondContact O-N 3.3Å; L365-R367 VanDerWaalsContact C-N 3.26Å; L365-R367 PolarHBondContact O-N 3.04Å
368S73.4Confident77.7Confident98 Ų9877.5 Ų77.569%0.68540%0.404SS*.Hα-helixtrans-84.3-29.6179.845.80000113.8R364 L365 C366R364-S368 PolarHBondContact O-N 2.85Å; R364-S368 PolarHBondContact O-OG 2.73Å; L365-S368 PolarHBondContact O-N 2.98Å; L365-S368 VanDerWaalsContact O-N 3.15Å; L365-S368 PolarHBondContact O-OG 3.45Å; C366-S368 VanDerWaalsContact C-N 3.29Å; C366-S368 PolarHBondContact O-N 2.9Å
369A75.5Confident77.5Confident75 Ų7577.5 Ų77.562%0.6240%0.404SS*.Hα-helixtrans-110-19.5-170.200000114.6L365 C366L365-A369 WeakPolarHBondContact O-CB 3.31Å; L365-A369 PolarHBondContact O-N 3.04Å; C366-A369 PolarHBondContact O-N 3.49Å
370H84.1Confident77.1Confident75 Ų7577.1 Ų77.135%0.34740%0.396SS..SBendtrans-125.6164.2-171.4-64155.6000113.1C349 T351 C352 C366 T372C349-H370 WeakPolarHBondContact SG-CB 3.13Å; T351-H370 HydrophobicContact CG2-CB 4.47Å; C352-H370 PolarHBondContact SG-CE1 2.96Å; C352-H370 PolarHBondContact SG-ND1 3.3Å; C366-H370 WeakPolarHBondContact O-CA 3.35Å; C366-H370 WeakPolarHBondContact O-CB 3.44Å; C366-H370 PolarHBondContact O-N 3.39Å; H370-T372 HydrophobicContact CB-CG2 4.46Å; H370-T372 PolarHBondContact O-N 3.35Å; H370-T372 VanDerWaalsContact O-N 3.16Å
371R81.2Confident76.8Confident190 Ų19079.3 Ų79.372%0.71742%0.421SS*.  trans-72.5110.4172.9-167.4-176.9176.8-180-1.5108.6L350 T351L350-R371 HydrophobicContact CB-CB 4.44Å; L350-R371 WeakPolarHBondContact CB-O 3.35Å; L350-R371 HydrophobicContact CD1-CG 4.09Å; L350-R371 PolarHBondContact N-O 2.86Å; T351-R371 PolarHBondContact OG1-N 3.19Å; T351-R371 VanDerWaalsContact OG1-N 3.13Å
372T84Confident76.5Confident43 Ų4380.7 Ų80.726%0.26442%0.419SS..EExtended strand (participates in β ladder)trans-122.8153.6-176.159.40000112.4L347 L348 C349 C366 H370L347-T372 HydrophobicContact CD2-CG2 4.2Å; L347-T372 HydrophobicContact CG-CG2 4.4Å; L348-T372 CarbonylContact O-C 3.58Å; L348-T372 WeakPolarHBondContact O-CA 3.37Å; C349-T372 HydrophobicContact CB-CG2 4.24Å; C366-T372 HydrophobicContact CB-CG2 4.24Å; C366-T372 VanDerWaalsContact O-CG2 3.26Å; C366-T372 WeakPolarHBondContact O-CG2 3.31Å; H370-T372 HydrophobicContact CB-CG2 4.46Å; H370-T372 PolarHBondContact O-N 3.35Å; H370-T372 VanDerWaalsContact O-N 3.16Å
373R85.1Confident76Confident91 Ų9180.6 Ų80.634%0.34343%0.429SS..EExtended strand (participates in β ladder)trans-125.4133.1172.5-175.2166.666.6173.1-2109.5L348 C395 G396 D397L348-R373 PolarHBondContact N-O 3.21Å; L348-R373 PolarHBondContact O-N 2.99Å; R373-C395 PolarHBondContact NH2-O 3Å; R373-G396 VanDerWaalsContact NH2-CA 3.3Å; R373-G396 PolarHBondContact NH2-O 2.77Å; R373-D397 IonicContact CZ-OD1 3.97Å; R373-D397 IonicContact NH1-OD1 2.92Å; R373-D397 PolarHBondContact NH1-OD1 3.14Å; R373-D397 IonicContact NH2-OD1 3.89Å; R373-D397 PolarHBondContact NH2-OD1 2.73Å
374R81.8Confident75.3Confident169 Ų16981.8 Ų81.864%0.63844%0.436SS*.EExtended strand (participates in β ladder)trans-77.3136.3172.4-72.6-166.9-175-155.911110.1L347L347-R374 HydrophobicContact CD1-CG 4.22Å
375L79.8Confident74Confident18 Ų1880 Ų809%0.09445%0.449CS..  trans-91.5149.9174.5-70-175000108.9P345 H346 L348 V355 L391 E398P345-L375 HydrophobicContact CB-CD1 3.93Å; H346-L375 PolarHBondContact O-N 3.11Å; L348-L375 HydrophobicContact CB-CD2 4.41Å; L348-L375 HydrophobicContact CB-CG 4.45Å; V355-L375 HydrophobicContact CG1-CD1 3.99Å; L375-L391 HydrophobicContact CD1-CD1 4.22Å; L375-L391 HydrophobicContact CD1-CD2 4.1Å; L375-L391 HydrophobicContact CD2-CD1 3.88Å; L375-E398 WeakPolarHBondContact CA-OE1 3.38Å; L375-E398 WeakPolarHBondContact CB-OE1 3.18Å; L375-E398 HydrophobicContact CD2-CG 4.07Å
376G72.6Confident72.9Confident27 Ų2777.2 Ų77.228%0.27845%0.447SS..  trans131.19.1-176.300000116.2C384 E398G376-C384 PolarHBondContact O-N 2.99Å; G376-E398 VanDerWaalsContact C-OE2 3.28Å; G376-E398 WeakPolarHBondContact CA-OE2 3.45Å; G376-E398 PolarHBondContact N-OE1 2.94Å; G376-E398 PolarHBondContact N-OE2 2.96Å
377T74.1Confident71.6Confident84 Ų8480.2 Ų80.252%0.51547%0.465SS..BIsolated β-bridgetrans-139.1122.7179-540000110.2E398T377-E398 PolarHBondContact N-OE2 2.92Å
378C75.3Confident70.4Confident5 Ų575.8 Ų75.83%0.03445%0.449CS..BIsolated β-bridgetrans-64.8154.6178.8-177.40000111.5C380 G381 K382 E398 C400C378-C380 PolarHBondContact O-N 3.26Å; C378-C380 PolarHBondContact SG-SG 3.15Å; C378-G381 PolarHBondContact O-N 3.02Å; C378-K382 WeakPolarHBondContact CB-O 3.22Å; C378-K382 PolarHBondContact N-O 2.96Å; C378-E398 CarbonylContact C-O 3.49Å; C378-E398 VanDerWaalsContact CA-O 3.31Å; C378-E398 WeakPolarHBondContact CA-O 3.31Å; C378-C400 HydrophobicContact CB-CB 4.14Å; C378-C400 PolarHBondContact SG-N 2.72Å
379S73.4Confident69.9Low65 Ų6579.4 Ų79.446%0.45545%0.448SS..THydrogen-bonded Turntrans-52.7-22.5169.856.60000114.5G381 E398 F399S379-G381 VanDerWaalsContact C-N 3.31Å; S379-E398 PolarHBondContact N-O 3.36Å; S379-F399 WeakPolarHBondContact OG-CE1 3.3Å
380C70.9Confident69.6Low61 Ų6177.1 Ų77.141%0.41243%0.426SS..THydrogen-bonded Turntrans-85.76.4173.470.50000114.9C378 K382 C403C378-C380 PolarHBondContact O-N 3.26Å; C378-C380 PolarHBondContact SG-SG 3.15Å; C380-K382 VanDerWaalsContact C-N 3.32Å; C380-K382 PolarHBondContact O-N 3.31Å; C380-C403 VanDerWaalsContact CB-SG 3.59Å
381G70.3Confident69.3Low58 Ų5874.1 Ų74.160%0.59841%0.413SS*.SBendtrans81.31.9178.200000115.3C378 S379C378-G381 PolarHBondContact O-N 3.02Å; S379-G381 VanDerWaalsContact C-N 3.31Å
382K67.9Low69.2Low133 Ų13365 Ų6558%0.57838%0.378SS*.  trans-83.5132.2176.6-64.7-178.6-177.1-179.40110.8C378 C380 C384C378-K382 WeakPolarHBondContact CB-O 3.22Å; C378-K382 PolarHBondContact N-O 2.96Å; C380-K382 VanDerWaalsContact C-N 3.32Å; C380-K382 PolarHBondContact O-N 3.31Å; K382-C384 PolarHBondContact O-N 3.38Å
383S64.3Low69Low100 Ų10063.8 Ų63.870%0.69937%0.37SS*.BIsolated β-bridgetrans-64.6123.9172.6-490000110.3C385S383-C385 PolarHBondContact O-N 3.25Å
384C61.3Low68.7Low29 Ų2961.7 Ų61.720%0.19636%0.362CS..  trans-83.4103.4176.3-640000107.9G376 K382 G386G376-C384 PolarHBondContact O-N 2.99Å; K382-C384 PolarHBondContact O-N 3.38Å; C384-G386 VanDerWaalsContact C-N 3.34Å; C384-G386 PolarHBondContact O-N 3.36Å
385C48.8Very low68.5Low133 Ų13355.3 Ų55.390%0.89934%0.343SS*.  trans-73.288.3174.449.50000110.1S383S383-C385 PolarHBondContact O-N 3.25Å
386G50.6Low68.2Low52 Ų5254.5 Ų54.554%0.53634%0.34SS..SBendtrans89.6142.9178.600000113.4C384C384-G386 VanDerWaalsContact C-N 3.34Å; C384-G386 PolarHBondContact O-N 3.36Å
387T51.3Low68.5Low74 Ų7455.3 Ų55.345%0.45434%0.338SS..SBendtrans28.9112.8175.145.60000116.6R389T387-R389 PolarHBondContact O-N 3.39Å
388P52.1Low68.7Low11 Ų1151.6 Ų51.67%0.07131%0.314CS..  trans-56.3115175.7-24.137000109.4P345 V390 E398P345-P388 HydrophobicContact CG-CB 4.49Å; P345-P388 HydrophobicContact CG-CG 3.85Å; P388-V390 VanDerWaalsContact C-N 3.25Å; P388-V390 PolarHBondContact O-N 2.99Å; P388-E398 HydrophobicContact CB-CG 4.12Å; P388-E398 WeakPolarHBondContact CG-OE1 3.18Å
389R62.7Low68.6Low174 Ų17451.9 Ų51.966%0.65732%0.315SS*.SBendtrans-69.6-26.9-174.2-71.1-173.7179.8-126.31.1112T387T387-R389 PolarHBondContact O-N 3.39Å
390V70.6Confident68.5Low27 Ų2749.9 Ų49.916%0.16430%0.301CS..EExtended strand (participates in β ladder)trans-151.9125.3166.7-179.20000109.2P388 F399 W404 F417P388-V390 VanDerWaalsContact C-N 3.25Å; P388-V390 PolarHBondContact O-N 2.99Å; V390-F399 HydrophobicContact CB-CB 4.4Å; V390-F399 PolarHBondContact O-N 3.26Å; V390-W404 HydrophobicContact CB-CG 4.35Å; V390-W404 HydrophobicContact CG2-CB 4.27Å; V390-W404 HydrophobicContact CG2-CD2 3.99Å; V390-W404 HydrophobicContact CG2-CG 3.67Å; V390-F417 HydrophobicContact CG1-CB 4.44Å; V390-F417 HydrophobicContact CG1-CD1 3.46Å; V390-F417 VanDerWaalsContact CG1-CD1 3.46Å; V390-F417 HydrophobicContact CG1-CE1 3.78Å; V390-F417 HydrophobicContact CG1-CG 3.98Å
391L77.4Confident68.2Low12 Ų1253.8 Ų53.86%0.06331%0.307CS..EExtended strand (participates in β ladder)trans-107.5125.4173.7178.567.5000109.3P345 V355 L375 L393 G396 E398P345-L391 HydrophobicContact CB-CD2 4.45Å; V355-L391 HydrophobicContact CG1-CD2 4.15Å; V355-L391 HydrophobicContact CG2-CD2 3.87Å; L375-L391 HydrophobicContact CD1-CD1 4.22Å; L375-L391 HydrophobicContact CD1-CD2 4.1Å; L375-L391 HydrophobicContact CD2-CD1 3.88Å; L391-L393 HydrophobicContact CD2-CD2 4Å; L391-L393 HydrophobicContact CG-CD2 4.31Å; L391-L393 PolarHBondContact O-N 2.87Å; L391-G396 WeakPolarHBondContact CD1-O 3.2Å; L391-E398 HydrophobicContact CD1-CG 3.91Å
392C78.9Confident68Low0 Ų055.2 Ų55.20%030%0.301CS..  trans-73.8112.1171.5-178.50000109.6Y394 G396 D397 F399 C411 C413 F417C392-Y394 PolarHBondContact O-N 3.29Å; C392-Y394 PolarHBondContact SG-N 3.39Å; C392-G396 WeakPolarHBondContact O-CA 3.21Å; C392-G396 PolarHBondContact O-N 2.93Å; C392-D397 PolarHBondContact N-O 3.41Å; C392-F399 HydrophobicContact CB-CE2 4.26Å; C392-C411 HydrophobicContact CB-CB 4.04Å; C392-C411 VanDerWaalsContact SG-SG 3.62Å; C392-C413 VanDerWaalsContact SG-SG 3.65Å; C392-F417 HydrophobicContact CB-CD1 4.3Å; C392-F417 HydrophobicContact CB-CE1 4.01Å
393L79.8Confident68.1Low17 Ų1750.4 Ų50.49%0.08928%0.284CS..THydrogen-bonded Turntrans-73.911.5177.3-60.4179.2000113.7P333 I334 Y336 V355 L391P333-L393 CarbonylContact C-O 3.59Å; P333-L393 WeakPolarHBondContact CA-O 3.45Å; P333-L393 HydrophobicContact CB-CB 4.25Å; I334-L393 HydrophobicContact CB-CB 4.47Å; I334-L393 VanDerWaalsContact CB-O 3.29Å; I334-L393 WeakPolarHBondContact CB-O 3.46Å; I334-L393 WeakPolarHBondContact CD1-O 3.32Å; I334-L393 WeakPolarHBondContact CG1-O 3.13Å; I334-L393 PolarHBondContact N-O 3.1Å; Y336-L393 HydrophobicContact CE2-CD1 4.06Å; Y336-L393 HydrophobicContact CE2-CD2 3.96Å; V355-L393 HydrophobicContact CG2-CD2 4.36Å; L391-L393 HydrophobicContact CD2-CD2 4Å; L391-L393 HydrophobicContact CG-CD2 4.31Å; L391-L393 PolarHBondContact O-N 2.87Å
394Y79.3Confident68.4Low46 Ų4648.5 Ų48.518%0.1826%0.261CS..THydrogen-bonded Turntrans-108.6-53.5174.7-70.2-79.3000112.3P333 C392 R415 H418P333-Y394 HydrophobicContact CB-CE1 4.41Å; C392-Y394 PolarHBondContact O-N 3.29Å; C392-Y394 PolarHBondContact SG-N 3.39Å; Y394-R415 HydrophobicContact CD1-CG 4.16Å; Y394-R415 HydrophobicContact CD2-CB 3.49Å; Y394-R415 VanDerWaalsContact CD2-CB 3.49Å; Y394-R415 HydrophobicContact CD2-CG 4.04Å; Y394-R415 HydrophobicContact CE2-CB 3.98Å; Y394-R415 HydrophobicContact CG-CB 3.76Å; Y394-R415 HydrophobicContact CG-CG 3.79Å; Y394-H418 AromaticContact CE2-CD2 3.24Å; Y394-H418 WeakPolarHBondContact CE2-CD2 3.48Å; Y394-H418 AromaticContact CE2-NE2 3.6Å; Y394-H418 AromaticContact CZ-CD2 3.49Å; Y394-H418 VanDerWaalsContact CZ-CD2 3.49Å; Y394-H418 AromaticContact CZ-NE2 3.39Å; Y394-H418 PolarHBondContact OH-CD2 2.93Å; Y394-H418 PolarHBondContact OH-NE2 3.32Å
395C77.6Confident68.5Low35 Ų3553.7 Ų53.724%0.23628%0.278CS..THydrogen-bonded Turntrans-99.7-11.3177.966.50000113.2R373 D397 C411 C413R373-C395 PolarHBondContact NH2-O 3Å; C395-D397 VanDerWaalsContact C-N 3.35Å; C395-D397 PolarHBondContact SG-OD2 2.98Å; C395-C411 PolarHBondContact SG-SG 3.1Å; C395-C413 HydrophobicContact CB-CB 3.7Å
396G74Confident69.4Low2 Ų256 Ų562%0.02127%0.273CS..  trans77.312.8179.900000115.4R373 L391 C392R373-G396 VanDerWaalsContact NH2-CA 3.3Å; R373-G396 PolarHBondContact NH2-O 2.77Å; L391-G396 WeakPolarHBondContact CD1-O 3.2Å; C392-G396 WeakPolarHBondContact O-CA 3.21Å; C392-G396 PolarHBondContact O-N 2.93Å
397D77.7Confident70.1Confident44 Ų4457.2 Ų57.224%0.23527%0.267CS..  trans-81.8148.6-177.4-65.3-24.7000111.5R373 C392 C395 F399R373-D397 IonicContact CZ-OD1 3.97Å; R373-D397 IonicContact NH1-OD1 2.92Å; R373-D397 PolarHBondContact NH1-OD1 3.14Å; R373-D397 IonicContact NH2-OD1 3.89Å; R373-D397 PolarHBondContact NH2-OD1 2.73Å; C392-D397 PolarHBondContact N-O 3.41Å; C395-D397 VanDerWaalsContact C-N 3.35Å; C395-D397 PolarHBondContact SG-OD2 2.98Å; D397-F399 HydrophobicContact CB-CE2 3.92Å; D397-F399 HydrophobicContact CB-CZ 4.18Å
398E78.1Confident70.6Confident5 Ų555.8 Ų55.82%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-104.2144.6179.8-61.6-179.1151.100111.5L375 G376 T377 C378 S379 P388 L391L375-E398 WeakPolarHBondContact CA-OE1 3.38Å; L375-E398 WeakPolarHBondContact CB-OE1 3.18Å; L375-E398 HydrophobicContact CD2-CG 4.07Å; G376-E398 VanDerWaalsContact C-OE2 3.28Å; G376-E398 WeakPolarHBondContact CA-OE2 3.45Å; G376-E398 PolarHBondContact N-OE1 2.94Å; G376-E398 PolarHBondContact N-OE2 2.96Å; T377-E398 PolarHBondContact N-OE2 2.92Å; C378-E398 CarbonylContact C-O 3.49Å; C378-E398 VanDerWaalsContact CA-O 3.31Å; C378-E398 WeakPolarHBondContact CA-O 3.31Å; S379-E398 PolarHBondContact N-O 3.36Å; P388-E398 HydrophobicContact CB-CG 4.12Å; P388-E398 WeakPolarHBondContact CG-OE1 3.18Å; L391-E398 HydrophobicContact CD1-CG 3.91Å
399F73.4Confident71.2Confident11 Ų1158.8 Ų58.85%0.04827%0.274CS..EExtended strand (participates in β ladder)trans-122.1125.6179.4-62.6-92.8000109.8S379 V390 C392 D397 C403 W404 C411 V412 F417S379-F399 WeakPolarHBondContact OG-CE1 3.3Å; V390-F399 HydrophobicContact CB-CB 4.4Å; V390-F399 PolarHBondContact O-N 3.26Å; C392-F399 HydrophobicContact CB-CE2 4.26Å; D397-F399 HydrophobicContact CB-CE2 3.92Å; D397-F399 HydrophobicContact CB-CZ 4.18Å; F399-C403 HydrophobicContact CD1-CB 4.2Å; F399-W404 HydrophobicContact CB-CB 4Å; F399-C411 HydrophobicContact CE2-CB 4.4Å; F399-C411 VanDerWaalsContact CE2-SG 3.6Å; F399-C411 HydrophobicContact CZ-CB 4.31Å; F399-C411 WeakPolarHBondContact CZ-SG 3.44Å; F399-V412 HydrophobicContact CE1-CG2 4.06Å; F399-V412 HydrophobicContact CZ-CG2 4.21Å; F399-F417 HydrophobicContact CD1-CZ 4.31Å; F399-F417 AromaticContact CD2-CE1 3.47Å; F399-F417 HydrophobicContact CD2-CE1 3.47Å; F399-F417 VanDerWaalsContact CD2-CE1 3.47Å; F399-F417 AromaticContact CD2-CZ 3.61Å; F399-F417 HydrophobicContact CD2-CZ 3.61Å; F399-F417 HydrophobicContact CE1-CZ 4.27Å; F399-F417 AromaticContact CE2-CE1 3.47Å; F399-F417 HydrophobicContact CE2-CE1 3.47Å; F399-F417 VanDerWaalsContact CE2-CE1 3.47Å; F399-F417 AromaticContact CE2-CZ 3.59Å; F399-F417 HydrophobicContact CE2-CZ 3.59Å; F399-F417 HydrophobicContact CG-CE1 4.27Å; F399-F417 HydrophobicContact CG-CZ 4.01Å; F399-F417 HydrophobicContact CZ-CE1 4.25Å; F399-F417 AromaticContact CZ-CZ 3.94Å; F399-F417 HydrophobicContact CZ-CZ 3.94Å
400C70.9Confident71.6Confident24 Ų2453.2 Ų53.216%0.16226%0.259CS..  trans-69.6164.6166.375.30000109.6C378 D402 C403 W404C378-C400 HydrophobicContact CB-CB 4.14Å; C378-C400 PolarHBondContact SG-N 2.72Å; C400-D402 VanDerWaalsContact C-N 3.26Å; C400-D402 PolarHBondContact O-N 2.9Å; C400-C403 PolarHBondContact O-N 2.87Å; C400-C403 VanDerWaalsContact O-N 3.1Å; C400-C403 PolarHBondContact SG-N 2.88Å; C400-W404 PolarHBondContact O-N 2.87Å
401R65.9Low71.9Confident142 Ų14252.1 Ų52.154%0.53625%0.253SS..Hα-helixtrans-48.9-48.7-178.6-165.1-177.184.7179.35.8112Y405R401-Y405 HydrophobicContact CG-CD2 3.68Å; R401-Y405 HydrophobicContact CG-CE2 3.42Å; R401-Y405 VanDerWaalsContact CG-CE2 3.42Å; R401-Y405 WeakPolarHBondContact O-CB 3.4Å; R401-Y405 WeakPolarHBondContact O-CD2 3.37Å; R401-Y405 PolarHBondContact O-N 3.46Å
402D66.4Low71.7Confident89 Ų8957.4 Ų57.448%0.47629%0.285SS..Hα-helixtrans-72.3-33.4-175.8-53.2-31.1000112.9C400 K406C400-D402 VanDerWaalsContact C-N 3.26Å; C400-D402 PolarHBondContact O-N 2.9Å; D402-K406 WeakPolarHBondContact O-CG 3.37Å; D402-K406 PolarHBondContact O-N 3.04Å
403C69.4Low71.4Confident32 Ų3260 Ų6022%0.21630%0.302CS..Hα-helixtrans-72.6-38.9177.2-750000111.6C380 F399 C400C380-C403 VanDerWaalsContact CB-SG 3.59Å; F399-C403 HydrophobicContact CD1-CB 4.2Å; C400-C403 PolarHBondContact O-N 2.87Å; C400-C403 VanDerWaalsContact O-N 3.1Å; C400-C403 PolarHBondContact SG-N 2.88Å
404W69.8Low70.9Confident59 Ų5962 Ų6222%0.22333%0.328CS..Hα-helixtrans-68.7-42.5174.6176.673.7000112V390 F399 C400 K406 N407 P408V390-W404 HydrophobicContact CB-CG 4.35Å; V390-W404 HydrophobicContact CG2-CB 4.27Å; V390-W404 HydrophobicContact CG2-CD2 3.99Å; V390-W404 HydrophobicContact CG2-CG 3.67Å; F399-W404 HydrophobicContact CB-CB 4Å; C400-W404 PolarHBondContact O-N 2.87Å; W404-K406 PolarHBondContact O-N 3.2Å; W404-K406 VanDerWaalsContact O-N 3.11Å; W404-N407 CarbonylContact O-C 3.59Å; W404-N407 PolarHBondContact O-N 2.77Å; W404-P408 HydrophobicContact CD2-CB 4.24Å; W404-P408 HydrophobicContact CH2-CB 4.38Å; W404-P408 HydrophobicContact CZ2-CB 3.76Å; W404-P408 PolarHBondContact NE1-O 2.75Å; W404-P408 VanDerWaalsContact O-CA 3.31Å; W404-P408 WeakPolarHBondContact O-CA 3.47Å; W404-P408 VanDerWaalsContact O-N 3.11Å
405Y64.3Low70.7Confident138 Ų13864.5 Ų64.554%0.54134%0.337SS..Hα-helixtrans-58.7-27.4178.1-90.3-62.1000113.9R401R401-Y405 HydrophobicContact CG-CD2 3.68Å; R401-Y405 HydrophobicContact CG-CE2 3.42Å; R401-Y405 VanDerWaalsContact CG-CE2 3.42Å; R401-Y405 WeakPolarHBondContact O-CB 3.4Å; R401-Y405 WeakPolarHBondContact O-CD2 3.37Å; R401-Y405 PolarHBondContact O-N 3.46Å
406K67.2Low70.2Confident183 Ų18365.6 Ų65.680%0.79635%0.345SS*.Hα-helixtrans-70.9-33177.4-75.1179.4179.8-172.10113.2D402 W404D402-K406 WeakPolarHBondContact O-CG 3.37Å; D402-K406 PolarHBondContact O-N 3.04Å; W404-K406 PolarHBondContact O-N 3.2Å; W404-K406 VanDerWaalsContact O-N 3.11Å
407N64.7Low69.8Low76 Ų7666.5 Ų66.541%0.40635%0.349SS..SBendtrans-149.584.5177.6-172.3-7.2000109.3W404 L409 T410 F417W404-N407 CarbonylContact O-C 3.59Å; W404-N407 PolarHBondContact O-N 2.77Å; N407-L409 VanDerWaalsContact C-N 3.26Å; N407-L409 PolarHBondContact O-N 2.66Å; N407-T410 VanDerWaalsContact CG-OG1 3.28Å; N407-T410 PolarHBondContact ND2-O 2.99Å; N407-T410 PolarHBondContact ND2-OG1 3Å; N407-T410 PolarHBondContact OD1-N 3.27Å; N407-T410 PolarHBondContact OD1-OG1 3.03Å; N407-F417 WeakPolarHBondContact O-CE2 3.33Å
408P63Low68.7Low45 Ų4568.5 Ų68.529%0.29236%0.357SS..SBendtrans-80.2-9-170.230.5-34.8000113.4W404 F417W404-P408 HydrophobicContact CD2-CB 4.24Å; W404-P408 HydrophobicContact CH2-CB 4.38Å; W404-P408 HydrophobicContact CZ2-CB 3.76Å; W404-P408 PolarHBondContact NE1-O 2.75Å; W404-P408 VanDerWaalsContact O-CA 3.31Å; W404-P408 WeakPolarHBondContact O-CA 3.47Å; W404-P408 VanDerWaalsContact O-N 3.11Å; P408-F417 WeakPolarHBondContact O-CD2 3.2Å
409L64.6Low67.2Low73 Ų7375 Ų7538%0.38239%0.391SS..SBendtrans-100.7-34.7-173.7-65.2176000112.2I18 N407 S416 F417I18-L409 HydrophobicContact CG2-CD1 4.31Å; N407-L409 VanDerWaalsContact C-N 3.26Å; N407-L409 PolarHBondContact O-N 2.66Å; L409-S416 CarbonylContact O-C 3.1Å; L409-S416 WeakPolarHBondContact O-CA 3.1Å; L409-S416 WeakPolarHBondContact O-CB 3.33Å; L409-F417 PolarHBondContact O-N 3.26Å; L409-F417 VanDerWaalsContact O-N 3.09Å
410T70.6Confident65.4Low58 Ų5878 Ų7836%0.35641%0.413SS..BIsolated β-bridgetrans-130.5133.9-172.754.40000112.1N407 R415 F417N407-T410 VanDerWaalsContact CG-OG1 3.28Å; N407-T410 PolarHBondContact ND2-O 2.99Å; N407-T410 PolarHBondContact ND2-OG1 3Å; N407-T410 PolarHBondContact OD1-N 3.27Å; N407-T410 PolarHBondContact OD1-OG1 3.03Å; T410-R415 WeakPolarHBondContact CA-O 3.45Å; T410-F417 WeakPolarHBondContact O-CE2 3.25Å
411C76.3Confident63.7Low4 Ų479.7 Ų79.73%0.02742%0.422CS..  trans-73.8161.4169.5178.90000110.1C392 C395 F399 C413 G414 R415 F417C392-C411 HydrophobicContact CB-CB 4.04Å; C392-C411 VanDerWaalsContact SG-SG 3.62Å; C395-C411 PolarHBondContact SG-SG 3.1Å; F399-C411 HydrophobicContact CE2-CB 4.4Å; F399-C411 VanDerWaalsContact CE2-SG 3.6Å; F399-C411 HydrophobicContact CZ-CB 4.31Å; F399-C411 WeakPolarHBondContact CZ-SG 3.44Å; C411-C413 VanDerWaalsContact CB-SG 3.6Å; C411-C413 PolarHBondContact O-N 3.27Å; C411-C413 PolarHBondContact SG-SG 2.97Å; C411-G414 PolarHBondContact O-N 3.06Å; C411-R415 PolarHBondContact N-O 3.34Å; C411-F417 HydrophobicContact CB-CD1 4.41Å; C411-F417 HydrophobicContact CB-CE1 3.75Å; C411-F417 HydrophobicContact CB-CE2 4.32Å; C411-F417 HydrophobicContact CB-CZ 3.71Å
412V74.4Confident62.1Low123 Ų12381.1 Ų81.175%0.74544%0.441SS*.THydrogen-bonded Turntrans-55.7-24173.3-170.50000112.1F399 G414F399-V412 HydrophobicContact CE1-CG2 4.06Å; F399-V412 HydrophobicContact CZ-CG2 4.21Å; V412-G414 PolarHBondContact O-N 3Å
413C71.7Confident60.7Low53 Ų5380.7 Ų80.736%0.35844%0.438SS..THydrogen-bonded Turntrans-76.45.1173.570.10000114.7C392 C395 C411 R415C392-C413 VanDerWaalsContact SG-SG 3.65Å; C395-C413 HydrophobicContact CB-CB 3.7Å; C411-C413 VanDerWaalsContact CB-SG 3.6Å; C411-C413 PolarHBondContact O-N 3.27Å; C411-C413 PolarHBondContact SG-SG 2.97Å; C413-R415 PolarHBondContact O-N 2.9Å
414G69.5Low58.8Low61 Ų6184 Ų8463%0.62946%0.462SS*.SBendtrans77.50.4178.800000114.9C411 V412C411-G414 PolarHBondContact O-N 3.06Å; V412-G414 PolarHBondContact O-N 3Å
415R75.5Confident56.7Low97 Ų9788.2 Ų88.237%0.36649%0.494SS..  trans-94.7147.8178.5-61.9-64-173.5176.51111.6Y394 T410 C411 C413Y394-R415 HydrophobicContact CD1-CG 4.16Å; Y394-R415 HydrophobicContact CD2-CB 3.49Å; Y394-R415 VanDerWaalsContact CD2-CB 3.49Å; Y394-R415 HydrophobicContact CD2-CG 4.04Å; Y394-R415 HydrophobicContact CE2-CB 3.98Å; Y394-R415 HydrophobicContact CG-CB 3.76Å; Y394-R415 HydrophobicContact CG-CG 3.79Å; T410-R415 WeakPolarHBondContact CA-O 3.45Å; C411-R415 PolarHBondContact N-O 3.34Å; C413-R415 PolarHBondContact O-N 2.9Å
416S67.3Low54.9Low59 Ų5987.1 Ų87.141%0.41351%0.507SS..BIsolated β-bridgetrans-67.8144.1174.754.30000111L409 H418L409-S416 CarbonylContact O-C 3.1Å; L409-S416 WeakPolarHBondContact O-CA 3.1Å; L409-S416 WeakPolarHBondContact O-CB 3.33Å; S416-H418 PolarHBondContact O-N 3.18Å; S416-H418 VanDerWaalsContact O-N 3.07Å
417F65.1Low53.1Low20 Ų2088.9 Ų88.99%0.08853%0.532CS..  trans-67.7107.9165.3-63.5-73.5000106.5V390 C392 F399 N407 P408 L409 T410 C411 L419V390-F417 HydrophobicContact CG1-CB 4.44Å; V390-F417 HydrophobicContact CG1-CD1 3.46Å; V390-F417 VanDerWaalsContact CG1-CD1 3.46Å; V390-F417 HydrophobicContact CG1-CE1 3.78Å; V390-F417 HydrophobicContact CG1-CG 3.98Å; C392-F417 HydrophobicContact CB-CD1 4.3Å; C392-F417 HydrophobicContact CB-CE1 4.01Å; F399-F417 HydrophobicContact CD1-CZ 4.31Å; F399-F417 AromaticContact CD2-CE1 3.47Å; F399-F417 HydrophobicContact CD2-CE1 3.47Å; F399-F417 VanDerWaalsContact CD2-CE1 3.47Å; F399-F417 AromaticContact CD2-CZ 3.61Å; F399-F417 HydrophobicContact CD2-CZ 3.61Å; F399-F417 HydrophobicContact CE1-CZ 4.27Å; F399-F417 AromaticContact CE2-CE1 3.47Å; F399-F417 HydrophobicContact CE2-CE1 3.47Å; F399-F417 VanDerWaalsContact CE2-CE1 3.47Å; F399-F417 AromaticContact CE2-CZ 3.59Å; F399-F417 HydrophobicContact CE2-CZ 3.59Å; F399-F417 HydrophobicContact CG-CE1 4.27Å; F399-F417 HydrophobicContact CG-CZ 4.01Å; F399-F417 HydrophobicContact CZ-CE1 4.25Å; F399-F417 AromaticContact CZ-CZ 3.94Å; F399-F417 HydrophobicContact CZ-CZ 3.94Å; N407-F417 WeakPolarHBondContact O-CE2 3.33Å; P408-F417 WeakPolarHBondContact O-CD2 3.2Å; L409-F417 PolarHBondContact O-N 3.26Å; L409-F417 VanDerWaalsContact O-N 3.09Å; T410-F417 WeakPolarHBondContact O-CE2 3.25Å; C411-F417 HydrophobicContact CB-CD1 4.41Å; C411-F417 HydrophobicContact CB-CE1 3.75Å; C411-F417 HydrophobicContact CB-CE2 4.32Å; C411-F417 HydrophobicContact CB-CZ 3.71Å; F417-L419 PolarHBondContact O-N 2.98Å
418H54.2Low52.5Low87 Ų8789.6 Ų89.640%0.40354%0.539SS..  trans-57.3116166-85.4-70000107.2Y394 S416 S420Y394-H418 AromaticContact CE2-CD2 3.24Å; Y394-H418 WeakPolarHBondContact CE2-CD2 3.48Å; Y394-H418 AromaticContact CE2-NE2 3.6Å; Y394-H418 AromaticContact CZ-CD2 3.49Å; Y394-H418 VanDerWaalsContact CZ-CD2 3.49Å; Y394-H418 AromaticContact CZ-NE2 3.39Å; Y394-H418 PolarHBondContact OH-CD2 2.93Å; Y394-H418 PolarHBondContact OH-NE2 3.32Å; S416-H418 PolarHBondContact O-N 3.18Å; S416-H418 VanDerWaalsContact O-N 3.07Å; H418-S420 PolarHBondContact O-N 3.04Å
419L46.8Very low52Low141 Ų14191.9 Ų91.974%0.73855%0.552SS**  trans-63.979.4168.8-78.5148.1000107.5W93 F417W93-L419 HydrophobicContact CH2-CD1 4.42Å; W93-L419 HydrophobicContact CZ2-CD2 4.39Å; F417-L419 PolarHBondContact O-N 2.98Å
420S36.3Very low51.3Low75 Ų7592.9 Ų92.952%0.52456%0.561SS.*  trans-147.462.8174.2-64.90000108H418H418-S420 PolarHBondContact O-N 3.04Å
421T35.7Very low50.1Low58 Ų5895 Ų9536%0.35657%0.573SS.*  trans-164.391.515014.60000107.6Y336 L423Y336-T421 HydrophobicContact CE2-CG2 4.22Å; T421-L423 VanDerWaalsContact C-N 3.27Å; T421-L423 HydrophobicContact CG2-CD1 3.86Å; T421-L423 HydrophobicContact CG2-CG 4.26Å; T421-L423 PolarHBondContact O-N 3.18Å
422D31.3Very low48.5Very low173 Ų173100.7 Ų100.793%0.92561%0.607SS**  trans-59.298.2150.8-75.6-40.1000107.2
423L36.8Very low46.8Very low79 Ų7999.2 Ų99.241%0.41460%0.598SS.*  trans-118.256.6169.4-89.4162.7000108.5T421T421-L423 VanDerWaalsContact C-N 3.27Å; T421-L423 HydrophobicContact CG2-CD1 3.86Å; T421-L423 HydrophobicContact CG2-CG 4.26Å; T421-L423 PolarHBondContact O-N 3.18Å
424S28.9Very low45Very low103 Ų103102.5 Ų102.572%0.7262%0.615SS**  trans-166.184.6162.556.60000112.8
425T27Very low43.1Very low147 Ų147105.7 Ų105.790%0.90261%0.614SS**  trans-158.590.4139.843.50000109.9
426S26.2Very low40.4Very low114 Ų114106.4 Ų106.480%0.79764%0.635SS**  trans-162.479.3150.857.70000108.8
427V29.6Very low38Very low221 Ų221110.7 Ų110.7100%1.33966%0.655SS**  trans-149.10130.7-177.90000106.8

Retrieved 427 of 427 residues in 322.5 ms (Link to these results)

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