A0A087XQW5_POEFO Loading...

Pyrroline-5-carboxylate reductase

AlphaFold DB , UniProt , Accession A0A087XQW5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 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
1M90.8Very high95.7Very high80 Ų8028.6 Ų28.639%0.39416%0.162SC..  0107.60-162.5172.968.500111.1V3 I25 R29 D64 V65 L148 L152M1-V3 HydrophobicContact CG-CG2 4.48Å; M1-I25 HydrophobicContact CE-CD1 4.11Å; M1-I25 HydrophobicContact CE-CG1 4.05Å; M1-R29 VanDerWaalsContact C-NH2 3.33Å; M1-R29 VanDerWaalsContact O-CZ 3.23Å; M1-R29 PolarHBondContact O-NE 3.12Å; M1-R29 PolarHBondContact O-NH2 3.44Å; M1-R29 VanDerWaalsContact O-NH2 3.11Å; M1-D64 VanDerWaalsContact C-OD2 3.25Å; M1-D64 WeakPolarHBondContact CA-OD2 3.37Å; M1-D64 PolarHBondContact N-OD2 2.82Å; M1-V65 HydrophobicContact CG-CG2 4.3Å; M1-V65 HydrophobicContact SD-CG2 4.07Å; M1-L148 HydrophobicContact SD-CD1 3.69Å; M1-L148 HydrophobicContact SD-CD2 4.11Å; M1-L148 HydrophobicContact SD-CG 4.17Å; M1-L152 HydrophobicContact CE-CD1 4.44Å
2S96.9Very high95.7Very high25 Ų2526.3 Ų26.318%0.17515%0.149CC..  trans-110.8147.3166.3-59.60000108.9R29 R62 D64 V65S2-R29 WeakPolarHBondContact CA-O 3.42Å; S2-R29 WeakPolarHBondContact CB-O 3.26Å; S2-R29 PolarHBondContact OG-NH2 3.46Å; S2-R62 WeakPolarHBondContact CB-O 3.37Å; S2-D64 PolarHBondContact N-OD2 3.25Å; S2-D64 PolarHBondContact O-N 3.29Å; S2-V65 PolarHBondContact O-N 2.76Å
3V98.1Very high95.7Very high0 Ų025.8 Ų25.80%015%0.145CC..EExtended strand (participates in β ladder)trans-120.4130.8-174.2177.70000111M1 F5 I25 R29 I30 T31 V65 F67M1-V3 HydrophobicContact CG-CG2 4.48Å; V3-F5 HydrophobicContact CG1-CD2 4.26Å; V3-F5 HydrophobicContact CG1-CE2 3.61Å; V3-F5 HydrophobicContact CG1-CZ 4.07Å; V3-I25 HydrophobicContact CB-CD1 4.15Å; V3-I25 HydrophobicContact CG2-CD1 3.35Å; V3-I25 HydrophobicContact CG2-CG1 4.42Å; V3-R29 PolarHBondContact N-O 3.22Å; V3-I30 CarbonylContact O-C 3.54Å; V3-I30 VanDerWaalsContact O-CA 3.26Å; V3-I30 WeakPolarHBondContact O-CA 3.36Å; V3-T31 PolarHBondContact O-N 2.92Å; V3-V65 CarbonylContact C-O 3.45Å; V3-V65 WeakPolarHBondContact CA-O 3.5Å; V3-V65 HydrophobicContact CG2-CB 4.33Å; V3-F67 HydrophobicContact CG1-CD2 3.59Å; V3-F67 HydrophobicContact CG1-CE2 3.64Å
4G98.3Very high95.7Very high0 Ų024.5 Ų24.50%014%0.139CC..EExtended strand (participates in β ladder)trans-107.6143.817900000111.9T31 S63 V65 F67G4-T31 CarbonylContact C-O 3.53Å; G4-T31 VanDerWaalsContact CA-O 3.28Å; G4-T31 WeakPolarHBondContact CA-O 3.49Å; G4-S63 WeakPolarHBondContact CA-OG 3.39Å; G4-S63 PolarHBondContact N-OG 3.11Å; G4-S63 VanDerWaalsContact N-OG 3.12Å; G4-V65 PolarHBondContact N-O 3.49Å; G4-F67 PolarHBondContact O-N 2.73Å
5F98.4Very high95.7Very high0 Ų022.9 Ų22.90%013%0.129CC..EExtended strand (participates in β ladder)trans-124.3113.3169.2-69.1-91.6000109.4V3 G7 A12 L15 V16 F19 I30 T31 A32 S33 F67V3-F5 HydrophobicContact CG1-CD2 4.26Å; V3-F5 HydrophobicContact CG1-CE2 3.61Å; V3-F5 HydrophobicContact CG1-CZ 4.07Å; F5-G7 PolarHBondContact O-N 2.79Å; F5-A12 HydrophobicContact CB-CB 4.23Å; F5-A12 HydrophobicContact CD1-CB 3.83Å; F5-A12 HydrophobicContact CG-CB 4.2Å; F5-L15 HydrophobicContact CE1-CB 3.88Å; F5-L15 HydrophobicContact CE1-CD1 3.86Å; F5-L15 HydrophobicContact CZ-CB 3.93Å; F5-V16 HydrophobicContact CD2-CG2 3.66Å; F5-V16 HydrophobicContact CE1-CG2 4.44Å; F5-V16 HydrophobicContact CE2-CG2 3.31Å; F5-V16 HydrophobicContact CG-CG2 4.36Å; F5-V16 HydrophobicContact CZ-CG2 3.74Å; F5-F19 HydrophobicContact CZ-CD2 4.29Å; F5-F19 AromaticContact CZ-CE2 3.96Å; F5-F19 HydrophobicContact CZ-CE2 3.96Å; F5-I30 HydrophobicContact CD2-CG2 3.8Å; F5-I30 HydrophobicContact CE2-CG2 3.8Å; F5-T31 PolarHBondContact N-O 3.29Å; F5-A32 HydrophobicContact CB-CB 4.12Å; F5-A32 CarbonylContact O-C 3.6Å; F5-A32 WeakPolarHBondContact O-CA 3.44Å; F5-S33 PolarHBondContact O-N 2.58Å; F5-F67 HydrophobicContact CD1-CB 3.59Å; F5-F67 HydrophobicContact CD1-CD2 4.38Å; F5-F67 HydrophobicContact CD1-CG 4.15Å; F5-F67 HydrophobicContact CE1-CB 3.75Å; F5-F67 HydrophobicContact CE1-CD1 4.48Å; F5-F67 AromaticContact CE1-CD2 3.85Å; F5-F67 HydrophobicContact CE1-CD2 3.85Å; F5-F67 AromaticContact CE1-CG 3.77Å; F5-F67 HydrophobicContact CE1-CG 3.77Å; F5-F67 HydrophobicContact CE2-CD2 4.48Å; F5-F67 HydrophobicContact CG-CB 4.32Å; F5-F67 AromaticContact CZ-CD2 3.92Å; F5-F67 HydrophobicContact CZ-CD2 3.92Å; F5-F67 HydrophobicContact CZ-CE2 4.4Å; F5-F67 HydrophobicContact CZ-CG 4.32Å
6I98.1Very high95.7Very high1 Ų121.4 Ų21.41%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-86.1110164.4-64.1175000107.1N56 T59 V60 L66 F67 L68 A69 V70 V78 I82I6-N56 HydrophobicContact CD1-CB 4.23Å; I6-N56 HydrophobicContact CG1-CB 4.43Å; I6-T59 HydrophobicContact CG1-CG2 4.34Å; I6-V60 HydrophobicContact CD1-CG2 4.2Å; I6-L66 HydrophobicContact CD1-CD1 4.06Å; I6-L66 HydrophobicContact CD1-CD2 3.92Å; I6-L66 HydrophobicContact CD1-CG 4.25Å; I6-L66 HydrophobicContact CG1-CD1 4Å; I6-F67 PolarHBondContact N-O 3.07Å; I6-L68 HydrophobicContact CB-CD2 4.29Å; I6-L68 HydrophobicContact CD1-CD2 3.95Å; I6-A69 CarbonylContact O-C 3.22Å; I6-A69 WeakPolarHBondContact O-CA 3.35Å; I6-A69 PolarHBondContact O-N 2.97Å; I6-V70 HydrophobicContact CG2-CG1 4.07Å; I6-V70 WeakPolarHBondContact O-CG1 3.43Å; I6-V78 HydrophobicContact CD1-CG1 3.9Å; I6-V78 HydrophobicContact CG2-CG1 3.73Å; I6-V78 HydrophobicContact CG2-CG2 4.09Å; I6-I82 HydrophobicContact CD1-CD1 3.45Å; I6-I82 VanDerWaalsContact CD1-CD1 3.45Å; I6-I82 HydrophobicContact CD1-CG2 4.06Å
7G96.2Very high95.7Very high8 Ų827.6 Ų27.68%0.08214%0.142CC..  trans105130.3-168.200000111.8F5 A12 S33F5-G7 PolarHBondContact O-N 2.79Å; G7-A12 WeakPolarHBondContact O-CB 3.11Å; G7-S33 CarbonylContact C-O 3.59Å; G7-S33 VanDerWaalsContact CA-O 3.26Å; G7-S33 WeakPolarHBondContact CA-O 3.43Å; G7-S33 PolarHBondContact N-O 2.86Å
8A95.5Very high95.6Very high2 Ų226.1 Ų26.12%0.01713%0.134CC..  trans-115.236.3179.100000112.1S33 T41 V42 L45 F52A8-S33 PolarHBondContact N-O 2.8Å; A8-T41 WeakPolarHBondContact O-CB 3.36Å; A8-T41 PolarHBondContact O-OG1 3.37Å; A8-V42 HydrophobicContact CB-CG2 3.6Å; A8-L45 HydrophobicContact CB-CD1 3.85Å; A8-F52 HydrophobicContact CB-CE2 4.5Å
9G93.9Very high95.6Very high28 Ų2824.7 Ų24.729%0.28913%0.127SC..SBendtrans-78.1-168.1179.600000113.8L11 A12 Q13G9-L11 VanDerWaalsContact C-N 3.29Å; G9-L11 PolarHBondContact O-N 3.35Å; G9-A12 PolarHBondContact O-N 3.48Å; G9-Q13 WeakPolarHBondContact O-CB 3.49Å; G9-Q13 PolarHBondContact O-N 3.33Å
10Q93.2Very high95.5Very high130 Ų13025.8 Ų25.861%0.60714%0.137SC*.Hα-helixtrans-56.7-41.6178.8-66.2-64.6-28.300112.5Q13 A14Q10-Q13 PolarHBondContact O-N 3.11Å; Q10-A14 VanDerWaalsContact O-CB 3.29Å; Q10-A14 WeakPolarHBondContact O-CB 3.41Å; Q10-A14 PolarHBondContact O-N 3.16Å
11L93.7Very high95.4Very high41 Ų4129 Ų2922%0.21516%0.157CC..Hα-helixtrans-66-49.6-179.2-17861.8000112.3G9 Q13 A14 L15 C95 T122G9-L11 VanDerWaalsContact C-N 3.29Å; G9-L11 PolarHBondContact O-N 3.35Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 3.19Å; L11-A14 PolarHBondContact O-N 2.86Å; L11-A14 VanDerWaalsContact O-N 3.16Å; L11-L15 HydrophobicContact CD1-CD1 4.26Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 PolarHBondContact O-N 3.23Å; L11-C95 HydrophobicContact CD2-CB 3.56Å; L11-T122 HydrophobicContact CD1-CG2 3.61Å
12A95.6Very high95.5Very high0 Ų026.4 Ų26.40%015%0.149CC..Hα-helixtrans-58.4-46.1177.300000110.7F5 G7 G9 A14 L15 V16 A69F5-A12 HydrophobicContact CB-CB 4.23Å; F5-A12 HydrophobicContact CD1-CB 3.83Å; F5-A12 HydrophobicContact CG-CB 4.2Å; G7-A12 WeakPolarHBondContact O-CB 3.11Å; G9-A12 PolarHBondContact O-N 3.48Å; A12-A14 VanDerWaalsContact C-N 3.34Å; A12-A14 PolarHBondContact O-N 2.86Å; A12-L15 PolarHBondContact O-N 2.76Å; A12-V16 WeakPolarHBondContact O-CB 3.32Å; A12-V16 WeakPolarHBondContact O-CG2 3.21Å; A12-V16 PolarHBondContact O-N 3.02Å; A12-A69 HydrophobicContact CB-CB 4.14Å
13Q95.3Very high95.3Very high21 Ų2128.3 Ų28.310%0.09817%0.173CC..Hα-helixtrans-60-42.8176-168.5-146-23.800112.8G9 Q10 L11 R17 T41 Q44 L45G9-Q13 WeakPolarHBondContact O-CB 3.49Å; G9-Q13 PolarHBondContact O-N 3.33Å; Q10-Q13 PolarHBondContact O-N 3.11Å; L11-Q13 VanDerWaalsContact C-N 3.3Å; L11-Q13 PolarHBondContact O-N 3.19Å; Q13-R17 VanDerWaalsContact O-CB 3.3Å; Q13-R17 WeakPolarHBondContact O-CB 3.46Å; Q13-R17 PolarHBondContact O-N 3.48Å; Q13-T41 HydrophobicContact CB-CG2 4.48Å; Q13-Q44 VanDerWaalsContact OE1-OE1 3.13Å; Q13-L45 HydrophobicContact CG-CG 4.48Å
14A95.2Very high95.1Very high7 Ų731.5 Ų31.56%0.05819%0.192CC..Hα-helixtrans-62.8-46.117900000111.6Q10 L11 A12 R17 G18 V126 V127Q10-A14 VanDerWaalsContact O-CB 3.29Å; Q10-A14 WeakPolarHBondContact O-CB 3.41Å; Q10-A14 PolarHBondContact O-N 3.16Å; L11-A14 PolarHBondContact O-N 2.86Å; L11-A14 VanDerWaalsContact O-N 3.16Å; A12-A14 VanDerWaalsContact C-N 3.34Å; A12-A14 PolarHBondContact O-N 2.86Å; A14-R17 PolarHBondContact O-N 3Å; A14-G18 PolarHBondContact O-N 3.01Å; A14-V126 HydrophobicContact CB-CG2 3.58Å; A14-V127 HydrophobicContact CB-CB 4.08Å
15L96.6Very high94.9Very high0 Ų032 Ų320%019%0.194CC..Hα-helixtrans-65.4-47.3177.9-72.5170.3000111.9F5 L11 A12 R17 G18 F19 F67 T122 V126 M153 V156F5-L15 HydrophobicContact CE1-CB 3.88Å; F5-L15 HydrophobicContact CE1-CD1 3.86Å; F5-L15 HydrophobicContact CZ-CB 3.93Å; L11-L15 HydrophobicContact CD1-CD1 4.26Å; L11-L15 HydrophobicContact CD1-CG 4.41Å; L11-L15 HydrophobicContact CG-CD1 4.16Å; L11-L15 PolarHBondContact O-N 3.23Å; A12-L15 PolarHBondContact O-N 2.76Å; L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.29Å; L15-G18 PolarHBondContact O-N 2.93Å; L15-G18 VanDerWaalsContact O-N 3.13Å; L15-F19 HydrophobicContact CB-CD2 4.48Å; L15-F19 HydrophobicContact CB-CE2 4.08Å; L15-F19 HydrophobicContact CB-CZ 4.44Å; L15-F19 HydrophobicContact CD2-CZ 4.11Å; L15-F19 WeakPolarHBondContact O-CB 3.46Å; L15-F19 WeakPolarHBondContact O-CD2 3.35Å; L15-F19 VanDerWaalsContact O-CG 3.26Å; L15-F19 WeakPolarHBondContact O-CG 3.42Å; L15-F19 PolarHBondContact O-N 2.98Å; L15-F67 HydrophobicContact CD1-CD1 4.47Å; L15-T122 HydrophobicContact CD2-CG2 4.37Å; L15-V126 HydrophobicContact CD2-CB 4.09Å; L15-V126 HydrophobicContact CD2-CG1 4.08Å; L15-V126 HydrophobicContact CD2-CG2 3.86Å; L15-V126 HydrophobicContact CG-CG2 4.15Å; L15-M153 HydrophobicContact CD2-CE 3.72Å; L15-M153 HydrophobicContact CD2-SD 4.23Å; L15-V156 HydrophobicContact CD2-CG2 4.28Å
16V95.9Very high94.7Very high0 Ų034.2 Ų34.20%021%0.212CC..Hα-helixtrans-59.8-40.4178.6172.90000111.3F5 A12 S20 I30 L45 M48 V50F5-V16 HydrophobicContact CD2-CG2 3.66Å; F5-V16 HydrophobicContact CE1-CG2 4.44Å; F5-V16 HydrophobicContact CE2-CG2 3.31Å; F5-V16 HydrophobicContact CG-CG2 4.36Å; F5-V16 HydrophobicContact CZ-CG2 3.74Å; A12-V16 WeakPolarHBondContact O-CB 3.32Å; A12-V16 WeakPolarHBondContact O-CG2 3.21Å; A12-V16 PolarHBondContact O-N 3.02Å; V16-S20 VanDerWaalsContact O-CB 3.23Å; V16-S20 WeakPolarHBondContact O-CB 3.5Å; V16-S20 PolarHBondContact O-N 3.12Å; V16-I30 HydrophobicContact CG1-CD1 3.97Å; V16-I30 HydrophobicContact CG1-CG2 4.35Å; V16-I30 HydrophobicContact CG2-CD1 4.5Å; V16-I30 HydrophobicContact CG2-CG2 3.84Å; V16-L45 HydrophobicContact CB-CD2 3.73Å; V16-L45 HydrophobicContact CG1-CD2 3.63Å; V16-L45 HydrophobicContact CG2-CD2 3.95Å; V16-M48 HydrophobicContact CG1-CE 3.87Å; V16-V50 HydrophobicContact CG1-CG2 3.46Å; V16-V50 VanDerWaalsContact CG1-CG2 3.46Å
17R94.8Very high94.5Very high126 Ų12635.6 Ų35.648%0.47522%0.221SC..Hα-helixtrans-67.5-44.1174.4-177165.6175.9-154.82.6112.2Q13 A14 L15 S20 V21 M48 V127Q13-R17 VanDerWaalsContact O-CB 3.3Å; Q13-R17 WeakPolarHBondContact O-CB 3.46Å; Q13-R17 PolarHBondContact O-N 3.48Å; A14-R17 PolarHBondContact O-N 3Å; L15-R17 VanDerWaalsContact C-N 3.27Å; L15-R17 PolarHBondContact O-N 3.29Å; R17-S20 PolarHBondContact O-N 2.61Å; R17-V21 HydrophobicContact CG-CG2 4.37Å; R17-V21 WeakPolarHBondContact O-CB 3.01Å; R17-V21 VanDerWaalsContact O-CG2 3.27Å; R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 3.03Å; R17-M48 VanDerWaalsContact CA-CE 3.45Å; R17-M48 HydrophobicContact CB-CE 3.82Å; R17-M48 HydrophobicContact CB-SD 4.39Å; R17-M48 HydrophobicContact CG-CE 4.33Å; R17-V127 HydrophobicContact CB-CG2 4.19Å; R17-V127 HydrophobicContact CG-CG2 4.03Å
18G95Very high94.4Very high0 Ų041.2 Ų41.20%025%0.245CC..Hα-helixtrans-56.6-53175.200000111.8A14 L15 S20 V21 A22A14-G18 PolarHBondContact O-N 3.01Å; L15-G18 PolarHBondContact O-N 2.93Å; L15-G18 VanDerWaalsContact O-N 3.13Å; G18-S20 PolarHBondContact O-N 3.23Å; G18-V21 PolarHBondContact O-N 3.03Å; G18-A22 VanDerWaalsContact O-CB 3.32Å; G18-A22 WeakPolarHBondContact O-CB 3.31Å; G18-A22 PolarHBondContact O-N 3.02Å
19F95.5Very high94.5Very high0 Ų046 Ų460%026%0.263CS..Hα-helixtrans-62.1-41.2179.9-63.6-30.7000112.7F5 L15 A22 G23 V24 I25 F67 L152 M153 V156F5-F19 HydrophobicContact CZ-CD2 4.29Å; F5-F19 AromaticContact CZ-CE2 3.96Å; F5-F19 HydrophobicContact CZ-CE2 3.96Å; L15-F19 HydrophobicContact CB-CD2 4.48Å; L15-F19 HydrophobicContact CB-CE2 4.08Å; L15-F19 HydrophobicContact CB-CZ 4.44Å; L15-F19 HydrophobicContact CD2-CZ 4.11Å; L15-F19 WeakPolarHBondContact O-CB 3.46Å; L15-F19 WeakPolarHBondContact O-CD2 3.35Å; L15-F19 VanDerWaalsContact O-CG 3.26Å; L15-F19 WeakPolarHBondContact O-CG 3.42Å; L15-F19 PolarHBondContact O-N 2.98Å; F19-A22 PolarHBondContact O-N 3Å; F19-G23 PolarHBondContact O-N 3.46Å; F19-G23 VanDerWaalsContact O-N 3.13Å; F19-V24 HydrophobicContact CB-CG2 3.9Å; F19-V24 HydrophobicContact CD1-CG2 4.01Å; F19-V24 HydrophobicContact CG-CG2 4.27Å; F19-V24 PolarHBondContact O-N 3.38Å; F19-I25 HydrophobicContact CB-CD1 4.44Å; F19-I25 HydrophobicContact CD2-CD1 4.21Å; F19-I25 HydrophobicContact CG-CD1 4.34Å; F19-F67 HydrophobicContact CE2-CE2 4.26Å; F19-F67 HydrophobicContact CE2-CZ 4.36Å; F19-F67 HydrophobicContact CZ-CZ 4.29Å; F19-L152 HydrophobicContact CD1-CD1 3.77Å; F19-L152 HydrophobicContact CD1-CG 4.42Å; F19-L152 HydrophobicContact CD2-CD1 4.41Å; F19-L152 HydrophobicContact CE1-CD1 3.6Å; F19-L152 HydrophobicContact CE1-CG 3.73Å; F19-L152 WeakPolarHBondContact CE1-O 3.48Å; F19-L152 HydrophobicContact CE2-CD1 4.21Å; F19-L152 HydrophobicContact CE2-CD2 4.35Å; F19-L152 HydrophobicContact CE2-CG 4.31Å; F19-L152 HydrophobicContact CG-CD1 4.21Å; F19-L152 HydrophobicContact CZ-CD1 3.83Å; F19-L152 HydrophobicContact CZ-CD2 4.07Å; F19-L152 HydrophobicContact CZ-CG 3.66Å; F19-M153 HydrophobicContact CE1-SD 4.25Å; F19-M153 HydrophobicContact CZ-SD 3.79Å; F19-V156 HydrophobicContact CD1-CG1 3.5Å; F19-V156 HydrophobicContact CD1-CG2 4.42Å; F19-V156 HydrophobicContact CE1-CG1 3.79Å; F19-V156 HydrophobicContact CE1-CG2 3.84Å; F19-V156 HydrophobicContact CG-CG1 4.46Å
20S93Very high94.7Very high46 Ų4644.7 Ų44.732%0.32225%0.249SC..Hα-helixtrans-64.8-42.6177.2177.80000112V16 R17 G18 G23 T27V16-S20 VanDerWaalsContact O-CB 3.23Å; V16-S20 WeakPolarHBondContact O-CB 3.5Å; V16-S20 PolarHBondContact O-N 3.12Å; R17-S20 PolarHBondContact O-N 2.61Å; G18-S20 PolarHBondContact O-N 3.23Å; S20-G23 PolarHBondContact O-N 2.98Å; S20-T27 WeakPolarHBondContact OG-CG2 3.26Å
21V93.1Very high94.9Very high93 Ų9338.7 Ų38.756%0.56422%0.221SC*.Hα-helixtrans-71.4-35.3178.7171.60000111.5R17 G18 G23R17-V21 HydrophobicContact CG-CG2 4.37Å; R17-V21 WeakPolarHBondContact O-CB 3.01Å; R17-V21 VanDerWaalsContact O-CG2 3.27Å; R17-V21 WeakPolarHBondContact O-CG2 3.5Å; R17-V21 PolarHBondContact O-N 3.03Å; G18-V21 PolarHBondContact O-N 3.03Å; V21-G23 PolarHBondContact O-N 3.26Å
22A93.4Very high95.1Very high27 Ų2736.7 Ų36.722%0.22321%0.211CC..Hα-helixtrans-69.8-15.2174.700000113.1G18 F19 V24 S155G18-A22 VanDerWaalsContact O-CB 3.32Å; G18-A22 WeakPolarHBondContact O-CB 3.31Å; G18-A22 PolarHBondContact O-N 3.02Å; F19-A22 PolarHBondContact O-N 3Å; A22-V24 HydrophobicContact CB-CG1 4.21Å; A22-V24 HydrophobicContact CB-CG2 4.33Å; A22-V24 PolarHBondContact O-N 2.84Å; A22-S155 WeakPolarHBondContact CB-O 3.39Å
23G93.4Very high95.2Very high65 Ų6536.7 Ų36.767%0.6721%0.211SC*.THydrogen-bonded Turntrans7314.1179.600000114.1F19 S20 V21F19-G23 PolarHBondContact O-N 3.46Å; F19-G23 VanDerWaalsContact O-N 3.13Å; S20-G23 PolarHBondContact O-N 2.98Å; V21-G23 PolarHBondContact O-N 3.26Å
24V93.9Very high95.3Very high67 Ų6736.3 Ų36.341%0.40621%0.21SC..SBendtrans-80.4-29.1-177-65.80000113.1F19 A22 L152 S155F19-V24 HydrophobicContact CB-CG2 3.9Å; F19-V24 HydrophobicContact CD1-CG2 4.01Å; F19-V24 HydrophobicContact CG-CG2 4.27Å; F19-V24 PolarHBondContact O-N 3.38Å; A22-V24 HydrophobicContact CB-CG1 4.21Å; A22-V24 HydrophobicContact CB-CG2 4.33Å; A22-V24 PolarHBondContact O-N 2.84Å; V24-L152 HydrophobicContact CG2-CD1 4.1Å; V24-S155 VanDerWaalsContact CG1-CB 3.5Å
25I93.8Very high95.1Very high10 Ų1041.7 Ų41.75%0.05124%0.244CC..SBendtrans-139.4127.8178.9-58.9160.5000109.2M1 V3 F19 R29 I30 L152M1-I25 HydrophobicContact CE-CD1 4.11Å; M1-I25 HydrophobicContact CE-CG1 4.05Å; V3-I25 HydrophobicContact CB-CD1 4.15Å; V3-I25 HydrophobicContact CG2-CD1 3.35Å; V3-I25 HydrophobicContact CG2-CG1 4.42Å; F19-I25 HydrophobicContact CB-CD1 4.44Å; F19-I25 HydrophobicContact CD2-CD1 4.21Å; F19-I25 HydrophobicContact CG-CD1 4.34Å; I25-R29 HydrophobicContact CG2-CB 4.06Å; I25-I30 HydrophobicContact CB-CD1 4.43Å; I25-I30 HydrophobicContact CG2-CD1 4.04Å; I25-I30 HydrophobicContact CG2-CG1 3.63Å; I25-L152 HydrophobicContact CD1-CD1 3.48Å; I25-L152 VanDerWaalsContact CD1-CD1 3.48Å; I25-L152 HydrophobicContact CD1-CD2 4.49Å; I25-L152 HydrophobicContact CG1-CD1 4.31Å
26A94.3Very high94.8Very high46 Ų4645.3 Ų45.338%0.3826%0.264SS..  trans-68.8137.7172.200000110.7H28 R29A26-H28 VanDerWaalsContact C-N 3.26Å; A26-H28 WeakPolarHBondContact CB-CE1 3.21Å; A26-H28 PolarHBondContact O-N 2.68Å; A26-H28 VanDerWaalsContact O-N 3.16Å; A26-R29 HydrophobicContact CB-CG 4.44Å; A26-R29 WeakPolarHBondContact O-CA 3.29Å; A26-R29 WeakPolarHBondContact O-CB 3.33Å; A26-R29 PolarHBondContact O-N 2.87Å
27T93.6Very high94.6Very high31 Ų3147.5 Ų47.519%0.1928%0.277CS..G310 helixtrans-59.8-31.9-172.450.70000114S20 R29 I30 M48 G49S20-T27 WeakPolarHBondContact OG-CG2 3.26Å; T27-R29 PolarHBondContact O-N 3.1Å; T27-I30 WeakPolarHBondContact O-CB 3.47Å; T27-I30 PolarHBondContact O-N 3.13Å; T27-M48 WeakPolarHBondContact CB-O 3.17Å; T27-M48 VanDerWaalsContact CG2-O 3.32Å; T27-M48 WeakPolarHBondContact CG2-O 3.36Å; T27-M48 PolarHBondContact OG1-O 3.46Å; T27-G49 CarbonylContact C-O 3.45Å
28H94.7Very high94.4Very high125 Ų12547.8 Ų47.858%0.57928%0.284SS*.G310 helixtrans-68.4-13.3174.670.9-93.5000114.1A26 I30 N51A26-H28 VanDerWaalsContact C-N 3.26Å; A26-H28 WeakPolarHBondContact CB-CE1 3.21Å; A26-H28 PolarHBondContact O-N 2.68Å; A26-H28 VanDerWaalsContact O-N 3.16Å; H28-I30 VanDerWaalsContact C-N 3.35Å; H28-N51 PolarHBondContact O-ND2 3.35Å
29R96.9Very high94.2Very high104 Ų10450.3 Ų50.339%0.39230%0.297SS..G310 helixtrans-92.92.2172-59.2-171.864.6124.514.7112.6M1 S2 V3 I25 A26 T27M1-R29 VanDerWaalsContact C-NH2 3.33Å; M1-R29 VanDerWaalsContact O-CZ 3.23Å; M1-R29 PolarHBondContact O-NE 3.12Å; M1-R29 PolarHBondContact O-NH2 3.44Å; M1-R29 VanDerWaalsContact O-NH2 3.11Å; S2-R29 WeakPolarHBondContact CA-O 3.42Å; S2-R29 WeakPolarHBondContact CB-O 3.26Å; S2-R29 PolarHBondContact OG-NH2 3.46Å; V3-R29 PolarHBondContact N-O 3.22Å; I25-R29 HydrophobicContact CG2-CB 4.06Å; A26-R29 HydrophobicContact CB-CG 4.44Å; A26-R29 WeakPolarHBondContact O-CA 3.29Å; A26-R29 WeakPolarHBondContact O-CB 3.33Å; A26-R29 PolarHBondContact O-N 2.87Å; T27-R29 PolarHBondContact O-N 3.1Å
30I97.9Very high94.1Very high0 Ų054.4 Ų54.40%032%0.324CS..EExtended strand (participates in β ladder)trans-103.5130.7176.2-56.8178.4000108.4V3 F5 V16 I25 T27 H28 V50 N51V3-I30 CarbonylContact O-C 3.54Å; V3-I30 VanDerWaalsContact O-CA 3.26Å; V3-I30 WeakPolarHBondContact O-CA 3.36Å; F5-I30 HydrophobicContact CD2-CG2 3.8Å; F5-I30 HydrophobicContact CE2-CG2 3.8Å; V16-I30 HydrophobicContact CG1-CD1 3.97Å; V16-I30 HydrophobicContact CG1-CG2 4.35Å; V16-I30 HydrophobicContact CG2-CD1 4.5Å; V16-I30 HydrophobicContact CG2-CG2 3.84Å; I25-I30 HydrophobicContact CB-CD1 4.43Å; I25-I30 HydrophobicContact CG2-CD1 4.04Å; I25-I30 HydrophobicContact CG2-CG1 3.63Å; T27-I30 WeakPolarHBondContact O-CB 3.47Å; T27-I30 PolarHBondContact O-N 3.13Å; H28-I30 VanDerWaalsContact C-N 3.35Å; I30-V50 HydrophobicContact CB-CG1 4.12Å; I30-V50 HydrophobicContact CG2-CG1 3.78Å; I30-V50 WeakPolarHBondContact O-CG1 3.48Å; I30-N51 WeakPolarHBondContact O-CB 3.45Å; I30-N51 PolarHBondContact O-N 2.98Å
31T98.3Very high94.2Very high3 Ų352.5 Ų52.52%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-120.2130.8172.2-53.60000109.6V3 G4 F5 N51 T53 T59V3-T31 PolarHBondContact O-N 2.92Å; G4-T31 CarbonylContact C-O 3.53Å; G4-T31 VanDerWaalsContact CA-O 3.28Å; G4-T31 WeakPolarHBondContact CA-O 3.49Å; F5-T31 PolarHBondContact N-O 3.29Å; T31-N51 CarbonylContact C-O 3.58Å; T31-N51 VanDerWaalsContact CA-O 3.29Å; T31-N51 WeakPolarHBondContact CA-O 3.28Å; T31-N51 HydrophobicContact CG2-CB 4.22Å; T31-T53 HydrophobicContact CG2-CG2 4.08Å; T31-T59 HydrophobicContact CG2-CG2 4.33Å
32A97.9Very high94.2Very high0 Ų048.1 Ų48.10%028%0.284CS..EExtended strand (participates in β ladder)trans-124.2136.9176.300000110.9F5 L45 V50 N51 F52 T53F5-A32 HydrophobicContact CB-CB 4.12Å; F5-A32 CarbonylContact O-C 3.6Å; F5-A32 WeakPolarHBondContact O-CA 3.44Å; A32-L45 HydrophobicContact CB-CD1 4.22Å; A32-V50 HydrophobicContact CB-CG1 4.24Å; A32-N51 PolarHBondContact N-O 3.49Å; A32-F52 WeakPolarHBondContact O-CA 3.43Å; A32-T53 PolarHBondContact O-N 3.3Å; A32-T53 VanDerWaalsContact O-N 3.07Å
33S97.9Very high94.3Very high0 Ų051.1 Ų51.10%029%0.293CS..EExtended strand (participates in β ladder)trans-113.6140.6174.353.60000113.8F5 G7 A8 T53 N56 T59F5-S33 PolarHBondContact O-N 2.58Å; G7-S33 CarbonylContact C-O 3.59Å; G7-S33 VanDerWaalsContact CA-O 3.26Å; G7-S33 WeakPolarHBondContact CA-O 3.43Å; G7-S33 PolarHBondContact N-O 2.86Å; A8-S33 PolarHBondContact N-O 2.8Å; S33-T53 WeakPolarHBondContact CA-O 3.34Å; S33-N56 WeakPolarHBondContact CB-OD1 3.22Å; S33-N56 PolarHBondContact OG-OD1 3.43Å; S33-T59 WeakPolarHBondContact CB-OG1 3.26Å; S33-T59 PolarHBondContact OG-OG1 3.46Å
34S95.9Very high94.3Very high12 Ų1252 Ų528%0.08428%0.28CS..  trans-155.2141.9167.2-170.70000110.6D36 T53S34-D36 VanDerWaalsContact C-N 3.27Å; S34-D36 PolarHBondContact O-N 3.16Å; S34-D36 PolarHBondContact OG-N 3.44Å; S34-T53 PolarHBondContact N-O 3.13Å
35P92.2Very high94.3Very high120 Ų12048.8 Ų48.878%0.77926%0.26SS*.SBendtrans-70.1-24.2173.928.7-35.6000113
36D90.5Very high94.3Very high77 Ų7754.2 Ų54.241%0.41228%0.28SS..  trans-98106.8179.2-174.1-10.3000110.1S34 E38 L39S34-D36 VanDerWaalsContact C-N 3.27Å; S34-D36 PolarHBondContact O-N 3.16Å; S34-D36 PolarHBondContact OG-N 3.44Å; D36-E38 PolarHBondContact OD1-N 3.31Å; D36-L39 HydrophobicContact CB-CD1 4.01Å; D36-L39 HydrophobicContact CB-CG 3.9Å; D36-L39 WeakPolarHBondContact OD2-CD2 3.31Å
37T90.6Very high94.3Very high45 Ų4560.4 Ų60.428%0.27630%0.299SS..THydrogen-bonded Turntrans-82.9-13.9-176.459.30000113.9F52 T54T37-F52 HydrophobicContact CG2-CE1 3.82Å; T37-F52 HydrophobicContact CG2-CZ 4.03Å; T37-T54 HydrophobicContact CG2-CG2 3.79Å
38E90.8Very high94.3Very high132 Ų13261.3 Ų61.362%0.61730%0.301SS*.THydrogen-bonded Turntrans-94.6-1.5-173.3-62.8-53.7130.900112.8D36D36-E38 PolarHBondContact OD1-N 3.31Å
39L90.8Very high94.3Very high54 Ų5457.3 Ų57.328%0.28329%0.294SS..  trans-58135.7176.9-66.5175.4000111.2D36 T41 V42 Q43D36-L39 HydrophobicContact CB-CD1 4.01Å; D36-L39 HydrophobicContact CB-CG 3.9Å; D36-L39 WeakPolarHBondContact OD2-CD2 3.31Å; L39-T41 PolarHBondContact O-N 3.17Å; L39-T41 VanDerWaalsContact O-N 3.11Å; L39-V42 HydrophobicContact CB-CB 4.29Å; L39-V42 HydrophobicContact CB-CG2 3.98Å; L39-V42 HydrophobicContact CD1-CG2 4.46Å; L39-V42 WeakPolarHBondContact O-CB 3.36Å; L39-V42 PolarHBondContact O-N 2.97Å; L39-Q43 PolarHBondContact O-N 3.45Å; L39-Q43 VanDerWaalsContact O-N 3.16Å
40P93.8Very high94.3Very high86 Ų8652.8 Ų52.856%0.55828%0.278SS*.Hα-helixtrans-54.9-33.4175.1-27.434.6000113.3Q43 Q44P40-Q43 PolarHBondContact O-N 3.27Å; P40-Q44 VanDerWaalsContact O-CG 3.32Å; P40-Q44 WeakPolarHBondContact O-CG 2.9Å; P40-Q44 PolarHBondContact O-N 2.96Å; P40-Q44 VanDerWaalsContact O-N 3.09Å
41T94.7Very high94.2Very high6 Ų655.6 Ų55.64%0.03729%0.293CS..Hα-helixtrans-66.2-39.1176.652.50000112A8 Q13 L39 Q44 L45A8-T41 WeakPolarHBondContact O-CB 3.36Å; A8-T41 PolarHBondContact O-OG1 3.37Å; Q13-T41 HydrophobicContact CB-CG2 4.48Å; L39-T41 PolarHBondContact O-N 3.17Å; L39-T41 VanDerWaalsContact O-N 3.11Å; T41-Q44 PolarHBondContact O-N 2.86Å; T41-L45 WeakPolarHBondContact O-CG 3.27Å; T41-L45 PolarHBondContact O-N 2.82Å
42V93.9Very high94.2Very high0 Ų057.5 Ų57.50%030%0.301CS..Hα-helixtrans-65.2-43.5175.5169.90000110.8A8 L39 Q44 L45 R46 F52A8-V42 HydrophobicContact CB-CG2 3.6Å; L39-V42 HydrophobicContact CB-CB 4.29Å; L39-V42 HydrophobicContact CB-CG2 3.98Å; L39-V42 HydrophobicContact CD1-CG2 4.46Å; L39-V42 WeakPolarHBondContact O-CB 3.36Å; L39-V42 PolarHBondContact O-N 2.97Å; V42-Q44 VanDerWaalsContact C-N 3.26Å; V42-Q44 PolarHBondContact O-N 3.26Å; V42-L45 PolarHBondContact O-N 3.28Å; V42-R46 WeakPolarHBondContact O-CG 3.36Å; V42-R46 PolarHBondContact O-N 3.09Å; V42-F52 HydrophobicContact CB-CE2 4.18Å; V42-F52 HydrophobicContact CG1-CD1 4.4Å; V42-F52 HydrophobicContact CG1-CD2 3.71Å; V42-F52 HydrophobicContact CG1-CE1 4.2Å; V42-F52 HydrophobicContact CG1-CE2 3.46Å; V42-F52 VanDerWaalsContact CG1-CE2 3.46Å; V42-F52 HydrophobicContact CG1-CG 4.16Å; V42-F52 HydrophobicContact CG1-CZ 3.72Å; V42-F52 HydrophobicContact CG2-CD2 4.34Å; V42-F52 HydrophobicContact CG2-CE2 3.62Å; V42-F52 HydrophobicContact CG2-CZ 4.21Å
43Q94.1Very high94.1Very high91 Ų9158 Ų5843%0.42530%0.304SS..Hα-helixtrans-60-38.9175.6-63-178.81.600111.7L39 P40 K47L39-Q43 PolarHBondContact O-N 3.45Å; L39-Q43 VanDerWaalsContact O-N 3.16Å; P40-Q43 PolarHBondContact O-N 3.27Å; Q43-K47 VanDerWaalsContact O-CG 3.31Å; Q43-K47 WeakPolarHBondContact O-CG 3.23Å; Q43-K47 PolarHBondContact O-N 3.16Å; Q43-K47 VanDerWaalsContact O-N 3.12Å
44Q94Very high94.1Very high83 Ų8362.5 Ų62.539%0.38833%0.332SS..Hα-helixtrans-69.6-42.9177.5-72.5168.6-9.500112.1Q13 P40 T41 V42 R46 K47 M48Q13-Q44 VanDerWaalsContact OE1-OE1 3.13Å; P40-Q44 VanDerWaalsContact O-CG 3.32Å; P40-Q44 WeakPolarHBondContact O-CG 2.9Å; P40-Q44 PolarHBondContact O-N 2.96Å; P40-Q44 VanDerWaalsContact O-N 3.09Å; T41-Q44 PolarHBondContact O-N 2.86Å; V42-Q44 VanDerWaalsContact C-N 3.26Å; V42-Q44 PolarHBondContact O-N 3.26Å; Q44-R46 PolarHBondContact O-N 3.35Å; Q44-K47 PolarHBondContact O-N 3.28Å; Q44-M48 WeakPolarHBondContact O-CG 3.4Å; Q44-M48 PolarHBondContact O-N 3.39Å; Q44-M48 VanDerWaalsContact O-N 3.13Å
45L94.8Very high94.2Very high0 Ų063.9 Ų63.90%034%0.341CS..Hα-helixtrans-59.1-44.8174.8-73.6168.6000111.8A8 Q13 V16 A32 T41 V42 K47 M48 G49 V50A8-L45 HydrophobicContact CB-CD1 3.85Å; Q13-L45 HydrophobicContact CG-CG 4.48Å; V16-L45 HydrophobicContact CB-CD2 3.73Å; V16-L45 HydrophobicContact CG1-CD2 3.63Å; V16-L45 HydrophobicContact CG2-CD2 3.95Å; A32-L45 HydrophobicContact CB-CD1 4.22Å; T41-L45 WeakPolarHBondContact O-CG 3.27Å; T41-L45 PolarHBondContact O-N 2.82Å; V42-L45 PolarHBondContact O-N 3.28Å; L45-K47 VanDerWaalsContact C-N 3.35Å; L45-K47 PolarHBondContact O-N 3.07Å; L45-M48 WeakPolarHBondContact O-CB 3.37Å; L45-M48 PolarHBondContact O-N 3.45Å; L45-M48 VanDerWaalsContact O-N 3.1Å; L45-G49 PolarHBondContact O-N 2.71Å; L45-V50 HydrophobicContact CB-CB 4.37Å; L45-V50 HydrophobicContact CD2-CG2 4.15Å; L45-V50 WeakPolarHBondContact O-CB 3.46Å; L45-V50 WeakPolarHBondContact O-CG2 3.36Å; L45-V50 PolarHBondContact O-N 3.04Å
46R93.6Very high94.4Very high124 Ų12459.1 Ų59.147%0.46831%0.309SS..Hα-helixtrans-60.5-42.9175.7-71.7179.7-177.7-176.72.9112V42 Q44 M48 G49 F52V42-R46 WeakPolarHBondContact O-CG 3.36Å; V42-R46 PolarHBondContact O-N 3.09Å; Q44-R46 PolarHBondContact O-N 3.35Å; R46-M48 PolarHBondContact O-N 3.43Å; R46-G49 PolarHBondContact O-N 3.02Å; R46-F52 HydrophobicContact CG-CB 4.07Å
47K94.4Very high94.8Very high176 Ų17659.4 Ų59.477%0.76531%0.307SS*.Hα-helixtrans-62.1-25.5176.2-75174.4-177.5179.20113.2Q43 Q44 L45 G49Q43-K47 VanDerWaalsContact O-CG 3.31Å; Q43-K47 WeakPolarHBondContact O-CG 3.23Å; Q43-K47 PolarHBondContact O-N 3.16Å; Q43-K47 VanDerWaalsContact O-N 3.12Å; Q44-K47 PolarHBondContact O-N 3.28Å; L45-K47 VanDerWaalsContact C-N 3.35Å; L45-K47 PolarHBondContact O-N 3.07Å; K47-G49 VanDerWaalsContact C-N 3.29Å
48M93.9Very high95.1Very high49 Ų4960.1 Ų60.124%0.24131%0.307CS..THydrogen-bonded Turntrans-82.4-4.5176.1-66.2168.959.700113.4V16 R17 T27 Q44 L45 R46 V50V16-M48 HydrophobicContact CG1-CE 3.87Å; R17-M48 VanDerWaalsContact CA-CE 3.45Å; R17-M48 HydrophobicContact CB-CE 3.82Å; R17-M48 HydrophobicContact CB-SD 4.39Å; R17-M48 HydrophobicContact CG-CE 4.33Å; T27-M48 WeakPolarHBondContact CB-O 3.17Å; T27-M48 VanDerWaalsContact CG2-O 3.32Å; T27-M48 WeakPolarHBondContact CG2-O 3.36Å; T27-M48 PolarHBondContact OG1-O 3.46Å; Q44-M48 WeakPolarHBondContact O-CG 3.4Å; Q44-M48 PolarHBondContact O-N 3.39Å; Q44-M48 VanDerWaalsContact O-N 3.13Å; L45-M48 WeakPolarHBondContact O-CB 3.37Å; L45-M48 PolarHBondContact O-N 3.45Å; L45-M48 VanDerWaalsContact O-N 3.1Å; R46-M48 PolarHBondContact O-N 3.43Å; M48-V50 HydrophobicContact CB-CG2 4.2Å
49G94.4Very high95.4Very high41 Ų4153.8 Ų53.842%0.42328%0.278SS..THydrogen-bonded Turntrans80.123.6-178.100000113.9T27 L45 R46 K47T27-G49 CarbonylContact C-O 3.45Å; L45-G49 PolarHBondContact O-N 2.71Å; R46-G49 PolarHBondContact O-N 3.02Å; K47-G49 VanDerWaalsContact C-N 3.29Å
50V96.1Very high95.8Very high9 Ų951.2 Ų51.26%0.05526%0.264CS..  trans-77.6139.6173.6178.70000109.1V16 I30 A32 L45 M48 F52V16-V50 HydrophobicContact CG1-CG2 3.46Å; V16-V50 VanDerWaalsContact CG1-CG2 3.46Å; I30-V50 HydrophobicContact CB-CG1 4.12Å; I30-V50 HydrophobicContact CG2-CG1 3.78Å; I30-V50 WeakPolarHBondContact O-CG1 3.48Å; A32-V50 HydrophobicContact CB-CG1 4.24Å; L45-V50 HydrophobicContact CB-CB 4.37Å; L45-V50 HydrophobicContact CD2-CG2 4.15Å; L45-V50 WeakPolarHBondContact O-CB 3.46Å; L45-V50 WeakPolarHBondContact O-CG2 3.36Å; L45-V50 PolarHBondContact O-N 3.04Å; M48-V50 HydrophobicContact CB-CG2 4.2Å; V50-F52 PolarHBondContact O-N 3.48Å
51N96.8Very high96Very high60 Ų6050.5 Ų50.532%0.32126%0.261SS..EExtended strand (participates in β ladder)trans-69.2122.5172-61.3-47.4000109H28 I30 T31 A32H28-N51 PolarHBondContact O-ND2 3.35Å; I30-N51 WeakPolarHBondContact O-CB 3.45Å; I30-N51 PolarHBondContact O-N 2.98Å; T31-N51 CarbonylContact C-O 3.58Å; T31-N51 VanDerWaalsContact CA-O 3.29Å; T31-N51 WeakPolarHBondContact CA-O 3.28Å; T31-N51 HydrophobicContact CG2-CB 4.22Å; A32-N51 PolarHBondContact N-O 3.49Å
52F96.9Very high96.1Very high42 Ų4255.9 Ų55.918%0.18428%0.281CS..EExtended strand (participates in β ladder)trans-111.9136.8177.8177.1-89.5000110.3A8 A32 T37 V42 R46 V50 T54A8-F52 HydrophobicContact CB-CE2 4.5Å; A32-F52 WeakPolarHBondContact O-CA 3.43Å; T37-F52 HydrophobicContact CG2-CE1 3.82Å; T37-F52 HydrophobicContact CG2-CZ 4.03Å; V42-F52 HydrophobicContact CB-CE2 4.18Å; V42-F52 HydrophobicContact CG1-CD1 4.4Å; V42-F52 HydrophobicContact CG1-CD2 3.71Å; V42-F52 HydrophobicContact CG1-CE1 4.2Å; V42-F52 HydrophobicContact CG1-CE2 3.46Å; V42-F52 VanDerWaalsContact CG1-CE2 3.46Å; V42-F52 HydrophobicContact CG1-CG 4.16Å; V42-F52 HydrophobicContact CG1-CZ 3.72Å; V42-F52 HydrophobicContact CG2-CD2 4.34Å; V42-F52 HydrophobicContact CG2-CE2 3.62Å; V42-F52 HydrophobicContact CG2-CZ 4.21Å; R46-F52 HydrophobicContact CG-CB 4.07Å; V50-F52 PolarHBondContact O-N 3.48Å; F52-T54 HydrophobicContact CE1-CG2 4.24Å
53T97.1Very high96.3Very high12 Ų1256 Ų567%0.07428%0.281CS..EExtended strand (participates in β ladder)trans-139.9162.8174.5-179.30000110.9T31 A32 S33 S34 S55 E58 T59T31-T53 HydrophobicContact CG2-CG2 4.08Å; A32-T53 PolarHBondContact O-N 3.3Å; A32-T53 VanDerWaalsContact O-N 3.07Å; S33-T53 WeakPolarHBondContact CA-O 3.34Å; S34-T53 PolarHBondContact N-O 3.13Å; T53-S55 VanDerWaalsContact CG2-O 3.31Å; T53-S55 WeakPolarHBondContact CG2-O 3.37Å; T53-S55 PolarHBondContact OG1-N 3.34Å; T53-E58 VanDerWaalsContact CB-OE2 3.26Å; T53-E58 WeakPolarHBondContact CB-OE2 3.32Å; T53-E58 HydrophobicContact CG2-CB 4.17Å; T53-E58 HydrophobicContact CG2-CG 4.36Å; T53-E58 PolarHBondContact OG1-OE2 3.21Å; T53-T59 WeakPolarHBondContact CG2-OG1 3.49Å
54T96.8Very high96.4Very high94 Ų9454 Ų5458%0.57727%0.274SS*.SBendtrans-95.7-3.3168.9560000112.2T37 F52T37-T54 HydrophobicContact CG2-CG2 3.79Å; F52-T54 HydrophobicContact CE1-CG2 4.24Å
55S97.4Very high96.6Very high41 Ų4150.2 Ų50.229%0.28726%0.256SS..  trans-102118.9-178.5-179.30000111.7T53 K57 E58 T59T53-S55 VanDerWaalsContact CG2-O 3.31Å; T53-S55 WeakPolarHBondContact CG2-O 3.37Å; T53-S55 PolarHBondContact OG1-N 3.34Å; S55-K57 VanDerWaalsContact C-N 3.27Å; S55-K57 PolarHBondContact O-N 3.38Å; S55-K57 PolarHBondContact OG-N 2.96Å; S55-E58 PolarHBondContact O-N 3.28Å; S55-E58 PolarHBondContact OG-N 3Å; S55-T59 PolarHBondContact O-N 2.85Å; S55-T59 PolarHBondContact O-OG1 2.96Å
56N97.9Very high96.8Very high20 Ų2050.2 Ų50.211%0.10726%0.256CS..Hα-helixtrans-65.2-35.3174.2-66.5-30.4000111.5I6 S33 E58 T59 V60 E81 I82I6-N56 HydrophobicContact CD1-CB 4.23Å; I6-N56 HydrophobicContact CG1-CB 4.43Å; S33-N56 WeakPolarHBondContact CB-OD1 3.22Å; S33-N56 PolarHBondContact OG-OD1 3.43Å; N56-E58 VanDerWaalsContact C-N 3.35Å; N56-E58 PolarHBondContact O-N 3.46Å; N56-T59 WeakPolarHBondContact O-CB 3.22Å; N56-T59 PolarHBondContact O-N 2.9Å; N56-T59 VanDerWaalsContact O-N 3.17Å; N56-V60 WeakPolarHBondContact O-CG2 3.28Å; N56-V60 PolarHBondContact O-N 3.07Å; N56-E81 PolarHBondContact ND2-OE2 2.83Å; N56-I82 HydrophobicContact CB-CG2 3.68Å
57K97.4Very high97Very high83 Ų8344.3 Ų44.336%0.36123%0.234SC..Hα-helixtrans-61.6-41.1177.1-59.5178.8172.6-87.60112.5S55 T59 V60 S61 E81 D85S55-K57 VanDerWaalsContact C-N 3.27Å; S55-K57 PolarHBondContact O-N 3.38Å; S55-K57 PolarHBondContact OG-N 2.96Å; K57-T59 VanDerWaalsContact C-N 3.34Å; K57-V60 PolarHBondContact O-N 3.32Å; K57-S61 PolarHBondContact O-N 2.98Å; K57-E81 PolarHBondContact NZ-O 3.43Å; K57-D85 WeakPolarHBondContact CG-OD2 3.34Å; K57-D85 IonicContact NZ-OD2 3.05Å; K57-D85 PolarHBondContact NZ-OD2 3.41Å
58E97.4Very high97.2Very high59 Ų5936 Ų3628%0.27620%0.198SC..Hα-helixtrans-63.1-42.7174.8-175.3-179.117600111T53 S55 N56 V60 S61 R62T53-E58 VanDerWaalsContact CB-OE2 3.26Å; T53-E58 WeakPolarHBondContact CB-OE2 3.32Å; T53-E58 HydrophobicContact CG2-CB 4.17Å; T53-E58 HydrophobicContact CG2-CG 4.36Å; T53-E58 PolarHBondContact OG1-OE2 3.21Å; S55-E58 PolarHBondContact O-N 3.28Å; S55-E58 PolarHBondContact OG-N 3Å; N56-E58 VanDerWaalsContact C-N 3.35Å; N56-E58 PolarHBondContact O-N 3.46Å; E58-V60 VanDerWaalsContact C-N 3.35Å; E58-V60 PolarHBondContact O-N 3.45Å; E58-S61 PolarHBondContact O-N 2.82Å; E58-S61 PolarHBondContact O-OG 3.24Å; E58-R62 PolarHBondContact O-N 2.94Å; E58-R62 IonicContact OE1-CZ 2.92Å; E58-R62 IonicContact OE1-NE 3.88Å; E58-R62 IonicContact OE1-NH1 2.73Å; E58-R62 PolarHBondContact OE1-NH1 2.87Å; E58-R62 IonicContact OE1-NH2 2.76Å; E58-R62 PolarHBondContact OE1-NH2 2.79Å
59T98.2Very high97.4Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-58-45.9173.8-57.60000111.6I6 T31 S33 T53 S55 N56 K57 R62 S63 L66I6-T59 HydrophobicContact CG1-CG2 4.34Å; T31-T59 HydrophobicContact CG2-CG2 4.33Å; S33-T59 WeakPolarHBondContact CB-OG1 3.26Å; S33-T59 PolarHBondContact OG-OG1 3.46Å; T53-T59 WeakPolarHBondContact CG2-OG1 3.49Å; S55-T59 PolarHBondContact O-N 2.85Å; S55-T59 PolarHBondContact O-OG1 2.96Å; N56-T59 WeakPolarHBondContact O-CB 3.22Å; N56-T59 PolarHBondContact O-N 2.9Å; N56-T59 VanDerWaalsContact O-N 3.17Å; K57-T59 VanDerWaalsContact C-N 3.34Å; T59-R62 PolarHBondContact O-N 2.87Å; T59-S63 WeakPolarHBondContact O-CB 3.3Å; T59-S63 PolarHBondContact O-N 3.2Å; T59-S63 PolarHBondContact O-OG 2.96Å; T59-L66 HydrophobicContact CG2-CD1 3.91Å
60V98.1Very high97.4Very high0 Ų033.8 Ų33.80%018%0.18CC..Hα-helixtrans-58.3-54.2177175.60000110.7I6 N56 K57 E58 R62 S63 L66 I82 D85 I86 H90I6-V60 HydrophobicContact CD1-CG2 4.2Å; N56-V60 WeakPolarHBondContact O-CG2 3.28Å; N56-V60 PolarHBondContact O-N 3.07Å; K57-V60 PolarHBondContact O-N 3.32Å; E58-V60 VanDerWaalsContact C-N 3.35Å; E58-V60 PolarHBondContact O-N 3.45Å; V60-R62 PolarHBondContact O-N 3.49Å; V60-S63 PolarHBondContact O-N 3.31Å; V60-L66 HydrophobicContact CG2-CD1 4.34Å; V60-L66 HydrophobicContact CG2-CD2 3.69Å; V60-I82 HydrophobicContact CG2-CB 3.81Å; V60-I82 HydrophobicContact CG2-CD1 4.1Å; V60-I82 HydrophobicContact CG2-CG1 4.39Å; V60-I82 HydrophobicContact CG2-CG2 3.92Å; V60-D85 HydrophobicContact CG1-CB 4.27Å; V60-I86 HydrophobicContact CG1-CD1 3.86Å; V60-I86 HydrophobicContact CG2-CD1 4.43Å; V60-H90 PolarHBondContact O-NE2 3.45Å
61S97.1Very high97.1Very high71 Ų7139.8 Ų39.850%0.49721%0.206SC..Hα-helixtrans-57.3-25.2-176.470.10000114.7K57 E58K57-S61 PolarHBondContact O-N 2.98Å; E58-S61 PolarHBondContact O-N 2.82Å; E58-S61 PolarHBondContact O-OG 3.24Å
62R97Very high96.8Very high119 Ų11938.2 Ų38.245%0.44920%0.199SC..THydrogen-bonded Turntrans-983.5-177.4-69.8-172.9174.2156.912.3114.4S2 E58 T59 V60S2-R62 WeakPolarHBondContact CB-O 3.37Å; E58-R62 PolarHBondContact O-N 2.94Å; E58-R62 IonicContact OE1-CZ 2.92Å; E58-R62 IonicContact OE1-NE 3.88Å; E58-R62 IonicContact OE1-NH1 2.73Å; E58-R62 PolarHBondContact OE1-NH1 2.87Å; E58-R62 IonicContact OE1-NH2 2.76Å; E58-R62 PolarHBondContact OE1-NH2 2.79Å; T59-R62 PolarHBondContact O-N 2.87Å; V60-R62 PolarHBondContact O-N 3.49Å
63S97.9Very high96.3Very high1 Ų138.7 Ų38.71%0.00720%0.202CC..  trans-120.4147-169.5-56.40000111.7G4 T59 V60 H90G4-S63 WeakPolarHBondContact CA-OG 3.39Å; G4-S63 PolarHBondContact N-OG 3.11Å; G4-S63 VanDerWaalsContact N-OG 3.12Å; T59-S63 WeakPolarHBondContact O-CB 3.3Å; T59-S63 PolarHBondContact O-N 3.2Å; T59-S63 PolarHBondContact O-OG 2.96Å; V60-S63 PolarHBondContact O-N 3.31Å; S63-H90 PolarHBondContact O-CD2 2.68Å; S63-H90 PolarHBondContact O-NE2 2.9Å
64D97.7Very high96Very high51 Ų5141 Ų4127%0.27321%0.213SC..SBendtrans-99.4-42166.7-56.8-47.7000109.1M1 S2 H90 L91M1-D64 VanDerWaalsContact C-OD2 3.25Å; M1-D64 WeakPolarHBondContact CA-OD2 3.37Å; M1-D64 PolarHBondContact N-OD2 2.82Å; S2-D64 PolarHBondContact N-OD2 3.25Å; S2-D64 PolarHBondContact O-N 3.29Å; D64-H90 WeakPolarHBondContact O-CA 3.44Å; D64-L91 PolarHBondContact O-N 2.62Å
65V98.4Very high95.9Very high3 Ų336.7 Ų36.72%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-111.1124.5173.5-175.90000109.1M1 S2 V3 G4 F67 L91 V93 L148M1-V65 HydrophobicContact CG-CG2 4.3Å; M1-V65 HydrophobicContact SD-CG2 4.07Å; S2-V65 PolarHBondContact O-N 2.76Å; V3-V65 CarbonylContact C-O 3.45Å; V3-V65 WeakPolarHBondContact CA-O 3.5Å; V3-V65 HydrophobicContact CG2-CB 4.33Å; G4-V65 PolarHBondContact N-O 3.49Å; V65-F67 HydrophobicContact CG1-CD2 4.33Å; V65-F67 HydrophobicContact CG1-CE2 3.85Å; V65-F67 HydrophobicContact CG1-CZ 4.37Å; V65-L91 CarbonylContact C-O 3.43Å; V65-L91 WeakPolarHBondContact CA-O 3.32Å; V65-L91 HydrophobicContact CG1-CD2 4.46Å; V65-L91 HydrophobicContact CG2-CB 4.38Å; V65-L91 HydrophobicContact CG2-CD2 4.4Å; V65-V93 HydrophobicContact CG1-CG2 3.8Å; V65-L148 HydrophobicContact CG2-CD2 4.1Å
66L98.4Very high95.7Very high0 Ų036.6 Ų36.60%019%0.185CC..EExtended strand (participates in β ladder)trans-116.7107.3-174-17469.7000111I6 T59 V60 L68 I82 I86 L91 V93I6-L66 HydrophobicContact CD1-CD1 4.06Å; I6-L66 HydrophobicContact CD1-CD2 3.92Å; I6-L66 HydrophobicContact CD1-CG 4.25Å; I6-L66 HydrophobicContact CG1-CD1 4Å; T59-L66 HydrophobicContact CG2-CD1 3.91Å; V60-L66 HydrophobicContact CG2-CD1 4.34Å; V60-L66 HydrophobicContact CG2-CD2 3.69Å; L66-L68 HydrophobicContact CD2-CD2 4.29Å; L66-L68 HydrophobicContact CG-CD2 4.36Å; L66-I82 HydrophobicContact CD2-CD1 3.95Å; L66-I86 HydrophobicContact CD2-CD1 4.14Å; L66-L91 PolarHBondContact N-O 2.91Å; L66-V93 PolarHBondContact O-N 3.43Å
67F98.6Very high95.4Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-82.4124.7174.1-72.1-89.8000111.4V3 G4 F5 I6 L15 F19 V65 A69 V93 L149 L152 M153V3-F67 HydrophobicContact CG1-CD2 3.59Å; V3-F67 HydrophobicContact CG1-CE2 3.64Å; G4-F67 PolarHBondContact O-N 2.73Å; F5-F67 HydrophobicContact CD1-CB 3.59Å; F5-F67 HydrophobicContact CD1-CD2 4.38Å; F5-F67 HydrophobicContact CD1-CG 4.15Å; F5-F67 HydrophobicContact CE1-CB 3.75Å; F5-F67 HydrophobicContact CE1-CD1 4.48Å; F5-F67 AromaticContact CE1-CD2 3.85Å; F5-F67 HydrophobicContact CE1-CD2 3.85Å; F5-F67 AromaticContact CE1-CG 3.77Å; F5-F67 HydrophobicContact CE1-CG 3.77Å; F5-F67 HydrophobicContact CE2-CD2 4.48Å; F5-F67 HydrophobicContact CG-CB 4.32Å; F5-F67 AromaticContact CZ-CD2 3.92Å; F5-F67 HydrophobicContact CZ-CD2 3.92Å; F5-F67 HydrophobicContact CZ-CE2 4.4Å; F5-F67 HydrophobicContact CZ-CG 4.32Å; I6-F67 PolarHBondContact N-O 3.07Å; L15-F67 HydrophobicContact CD1-CD1 4.47Å; F19-F67 HydrophobicContact CE2-CE2 4.26Å; F19-F67 HydrophobicContact CE2-CZ 4.36Å; F19-F67 HydrophobicContact CZ-CZ 4.29Å; V65-F67 HydrophobicContact CG1-CD2 4.33Å; V65-F67 HydrophobicContact CG1-CE2 3.85Å; V65-F67 HydrophobicContact CG1-CZ 4.37Å; F67-A69 PolarHBondContact O-N 2.69Å; F67-V93 CarbonylContact C-O 3.5Å; F67-V93 VanDerWaalsContact CA-O 3.3Å; F67-V93 WeakPolarHBondContact CA-O 3.36Å; F67-V93 HydrophobicContact CD1-CB 3.85Å; F67-V93 HydrophobicContact CD1-CG1 3.77Å; F67-V93 HydrophobicContact CE1-CB 3.97Å; F67-V93 HydrophobicContact CE1-CG1 3.62Å; F67-V93 HydrophobicContact CE1-CG2 4.47Å; F67-V93 HydrophobicContact CG-CB 4.39Å; F67-V93 HydrophobicContact CZ-CG1 4.49Å; F67-L149 HydrophobicContact CE1-CD1 4.3Å; F67-L149 HydrophobicContact CZ-CD1 4.09Å; F67-L152 HydrophobicContact CE2-CD2 4Å; F67-L152 HydrophobicContact CZ-CD2 3.95Å; F67-M153 HydrophobicContact CE1-SD 4.11Å; F67-M153 HydrophobicContact CZ-SD 4.12Å
68L98.3Very high95.4Very high0 Ų038 Ų380%019%0.191CC..EExtended strand (participates in β ladder)trans-91.395.3169.4-47.9-179.1000108.9I6 L66 I75 V78 L79 I82 I92 V93 C95I6-L68 HydrophobicContact CB-CD2 4.29Å; I6-L68 HydrophobicContact CD1-CD2 3.95Å; L66-L68 HydrophobicContact CD2-CD2 4.29Å; L66-L68 HydrophobicContact CG-CD2 4.36Å; L68-I75 HydrophobicContact CB-CD1 3.62Å; L68-I75 HydrophobicContact CD1-CD1 4.06Å; L68-I75 HydrophobicContact CG-CD1 4.46Å; L68-V78 HydrophobicContact CD2-CG1 4.39Å; L68-L79 HydrophobicContact CD1-CD2 3.92Å; L68-I82 HydrophobicContact CD2-CD1 4.34Å; L68-I92 HydrophobicContact CD1-CG2 3.79Å; L68-I92 HydrophobicContact CG-CG2 4.05Å; L68-V93 PolarHBondContact N-O 3.21Å; L68-C95 PolarHBondContact O-N 2.84Å
69A96.6Very high95.3Very high16 Ų1635.4 Ų35.413%0.13218%0.179CC..  trans-109.435.1-175.500000112.4I6 A12 F67I6-A69 CarbonylContact O-C 3.22Å; I6-A69 WeakPolarHBondContact O-CA 3.35Å; I6-A69 PolarHBondContact O-N 2.97Å; A12-A69 HydrophobicContact CB-CB 4.14Å; F67-A69 PolarHBondContact O-N 2.69Å
70V94.5Very high95.2Very high28 Ų2838.1 Ų38.117%0.1719%0.193CC..SBendtrans-100.2170.7174.3-64.60000111.5I6 I74 I75 V78I6-V70 HydrophobicContact CG2-CG1 4.07Å; I6-V70 WeakPolarHBondContact O-CG1 3.43Å; V70-I74 HydrophobicContact CB-CB 4.07Å; V70-I74 HydrophobicContact CB-CG2 4.05Å; V70-I74 HydrophobicContact CG1-CG2 4.39Å; V70-I74 HydrophobicContact CG2-CB 3.96Å; V70-I74 HydrophobicContact CG2-CG2 4Å; V70-I75 HydrophobicContact CG2-CD1 3.39Å; V70-I75 HydrophobicContact CG2-CG1 3.99Å; V70-V78 HydrophobicContact CG2-CG2 4.37Å
71K90.7Very high95.1Very high136 Ų13641.7 Ų41.759%0.59121%0.21SC*.  trans-64.6149.4175.9-62.1-177.3-178.7176.10110.4H73 I74K71-H73 VanDerWaalsContact C-N 3.33Å; K71-H73 PolarHBondContact O-N 2.86Å; K71-I74 HydrophobicContact CB-CD1 3.91Å; K71-I74 HydrophobicContact CB-CG1 4.12Å; K71-I74 HydrophobicContact CD-CD1 4.5Å; K71-I74 HydrophobicContact CG-CD1 4.29Å; K71-I74 WeakPolarHBondContact O-CB 3.4Å; K71-I74 PolarHBondContact O-N 2.78Å
72P89.6Confident95.2Very high27 Ų2738.4 Ų38.418%0.17519%0.186CC..G310 helixtrans-50.3-46.6-176-31.737.5000114.8I74 I75 A96 A97 V99P72-I74 PolarHBondContact O-N 3.03Å; P72-I74 VanDerWaalsContact O-N 3.14Å; P72-I75 WeakPolarHBondContact O-CB 3.43Å; P72-I75 PolarHBondContact O-N 3.49Å; P72-I75 VanDerWaalsContact O-N 3.15Å; P72-A96 HydrophobicContact CG-CB 4.39Å; P72-A97 WeakPolarHBondContact CB-O 3.32Å; P72-A97 HydrophobicContact CG-CB 4.39Å; P72-A97 WeakPolarHBondContact CG-O 3.4Å; P72-V99 HydrophobicContact CB-CG2 3.74Å
73H86.8Confident95.1Very high52 Ų5232.7 Ų32.724%0.24117%0.165CC..G310 helixtrans-67.9-11.7179.662.1-91.9000114.7K71 F77 I277 I282K71-H73 VanDerWaalsContact C-N 3.33Å; K71-H73 PolarHBondContact O-N 2.86Å; H73-F77 WeakPolarHBondContact O-CD2 3.26Å; H73-F77 VanDerWaalsContact O-CE2 3.32Å; H73-F77 WeakPolarHBondContact O-CE2 3.48Å; H73-I277 HydrophobicContact CB-CD1 4.14Å; H73-I277 HydrophobicContact CB-CG2 4.35Å; H73-I282 HydrophobicContact CB-CD1 4.36Å
74I91.8Very high95.1Very high61 Ų6135.8 Ų35.831%0.31319%0.185SC..G310 helixtrans-88.7-22.9178.1-56.8177.9000110.5V70 K71 P72 F77 V78V70-I74 HydrophobicContact CB-CB 4.07Å; V70-I74 HydrophobicContact CB-CG2 4.05Å; V70-I74 HydrophobicContact CG1-CG2 4.39Å; V70-I74 HydrophobicContact CG2-CB 3.96Å; V70-I74 HydrophobicContact CG2-CG2 4Å; K71-I74 HydrophobicContact CB-CD1 3.91Å; K71-I74 HydrophobicContact CB-CG1 4.12Å; K71-I74 HydrophobicContact CD-CD1 4.5Å; K71-I74 HydrophobicContact CG-CD1 4.29Å; K71-I74 WeakPolarHBondContact O-CB 3.4Å; K71-I74 PolarHBondContact O-N 2.78Å; P72-I74 PolarHBondContact O-N 3.03Å; P72-I74 VanDerWaalsContact O-N 3.14Å; I74-F77 PolarHBondContact O-N 3.03Å; I74-V78 HydrophobicContact CG2-CG2 3.87Å; I74-V78 PolarHBondContact O-N 2.75Å; I74-V78 VanDerWaalsContact O-N 3.13Å
75I94.3Very high95.1Very high2 Ų236.1 Ų36.11%0.0119%0.187CC..Hα-helixtrans-55.4-48.2-175.3-64.3-72.6000112.7L68 V70 P72 F77 V78 L79 A96 V99 I104L68-I75 HydrophobicContact CB-CD1 3.62Å; L68-I75 HydrophobicContact CD1-CD1 4.06Å; L68-I75 HydrophobicContact CG-CD1 4.46Å; V70-I75 HydrophobicContact CG2-CD1 3.39Å; V70-I75 HydrophobicContact CG2-CG1 3.99Å; P72-I75 WeakPolarHBondContact O-CB 3.43Å; P72-I75 PolarHBondContact O-N 3.49Å; P72-I75 VanDerWaalsContact O-N 3.15Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.02Å; I75-V78 PolarHBondContact O-N 2.87Å; I75-V78 VanDerWaalsContact O-N 3.12Å; I75-L79 HydrophobicContact CG2-CD1 3.63Å; I75-L79 HydrophobicContact CG2-CG 3.89Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.34Å; I75-L79 PolarHBondContact O-N 2.82Å; I75-A96 HydrophobicContact CD1-CB 3.88Å; I75-A96 HydrophobicContact CG1-CB 3.63Å; I75-V99 HydrophobicContact CB-CG1 4.45Å; I75-V99 HydrophobicContact CG1-CG2 4.18Å; I75-V99 HydrophobicContact CG2-CG1 4.03Å; I75-I104 HydrophobicContact CG2-CG1 4.41Å
76P92.3Very high95.1Very high40 Ų4036.1 Ų36.126%0.2619%0.186SC..Hα-helixtrans-56.5-43.2-178.9-26.335.8000113.1L79 D80P76-L79 PolarHBondContact O-N 2.87Å; P76-D80 VanDerWaalsContact O-CG 3.3Å; P76-D80 PolarHBondContact O-N 2.91Å
77F93.3Very high95Very high127 Ų12740 Ų4056%0.55721%0.205SC*.Hα-helixtrans-66.2-39.4178.9-56.7-78.4000112.4H73 I74 I75 D80 E81H73-F77 WeakPolarHBondContact O-CD2 3.26Å; H73-F77 VanDerWaalsContact O-CE2 3.32Å; H73-F77 WeakPolarHBondContact O-CE2 3.48Å; I74-F77 PolarHBondContact O-N 3.03Å; I75-F77 VanDerWaalsContact C-N 3.3Å; I75-F77 PolarHBondContact O-N 3.02Å; F77-D80 PolarHBondContact O-N 3.16Å; F77-E81 WeakPolarHBondContact O-CB 3.34Å; F77-E81 PolarHBondContact O-N 2.81Å
78V96.1Very high94.8Very high6 Ų645.9 Ų45.94%0.03624%0.236CC..Hα-helixtrans-65.2-43.7176.1164.50000110.6I6 L68 V70 I74 I75 E81 I82I6-V78 HydrophobicContact CD1-CG1 3.9Å; I6-V78 HydrophobicContact CG2-CG1 3.73Å; I6-V78 HydrophobicContact CG2-CG2 4.09Å; L68-V78 HydrophobicContact CD2-CG1 4.39Å; V70-V78 HydrophobicContact CG2-CG2 4.37Å; I74-V78 HydrophobicContact CG2-CG2 3.87Å; I74-V78 PolarHBondContact O-N 2.75Å; I74-V78 VanDerWaalsContact O-N 3.13Å; I75-V78 PolarHBondContact O-N 2.87Å; I75-V78 VanDerWaalsContact O-N 3.12Å; V78-E81 WeakPolarHBondContact O-CB 3.36Å; V78-E81 PolarHBondContact O-N 2.62Å; V78-I82 HydrophobicContact CG1-CD1 3.9Å; V78-I82 VanDerWaalsContact O-CG1 3.28Å; V78-I82 WeakPolarHBondContact O-CG1 3.4Å; V78-I82 PolarHBondContact O-N 2.81Å
79L96.6Very high94.7Very high4 Ų450.9 Ų50.92%0.02126%0.255CS..Hα-helixtrans-64-40.3178.3-65.7176.4000111.8L68 I75 P76 E81 G83 I104 K107 L108L68-L79 HydrophobicContact CD1-CD2 3.92Å; I75-L79 HydrophobicContact CG2-CD1 3.63Å; I75-L79 HydrophobicContact CG2-CG 3.89Å; I75-L79 VanDerWaalsContact O-CG 3.32Å; I75-L79 WeakPolarHBondContact O-CG 3.34Å; I75-L79 PolarHBondContact O-N 2.82Å; P76-L79 PolarHBondContact O-N 2.87Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.13Å; L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.29Å; L79-G83 PolarHBondContact O-N 2.87Å; L79-I104 HydrophobicContact CD1-CB 4.17Å; L79-I104 HydrophobicContact CD1-CG1 4.12Å; L79-I104 HydrophobicContact CD1-CG2 3.97Å; L79-I104 HydrophobicContact CD2-CG2 4.04Å; L79-K107 HydrophobicContact CB-CB 4.31Å; L79-K107 HydrophobicContact CD1-CB 4.02Å; L79-K107 HydrophobicContact CD1-CG 4.48Å; L79-L108 HydrophobicContact CD2-CD1 4.22Å; L79-L108 HydrophobicContact CD2-CD2 3.96Å; L79-L108 HydrophobicContact CD2-CG 4.1Å
80D95.4Very high94.7Very high57 Ų5750.2 Ų50.231%0.30525%0.249SC..Hα-helixtrans-65-35.7174.9-69.1-28.8000111.5P76 F77 K107P76-D80 VanDerWaalsContact O-CG 3.3Å; P76-D80 PolarHBondContact O-N 2.91Å; F77-D80 PolarHBondContact O-N 3.16Å; D80-K107 VanDerWaalsContact CG-NZ 3.34Å; D80-K107 WeakPolarHBondContact OD1-CD 3.3Å; D80-K107 IonicContact OD1-NZ 2.68Å; D80-K107 PolarHBondContact OD1-NZ 3.37Å; D80-K107 IonicContact OD2-NZ 2.62Å; D80-K107 PolarHBondContact OD2-NZ 2.95Å
81E96.8Very high94.9Very high75 Ų7549.1 Ų49.135%0.3524%0.242SC..Hα-helixtrans-69.8-47.2178.5-175.9-166.9168.100113N56 K57 F77 V78 L79N56-E81 PolarHBondContact ND2-OE2 2.83Å; K57-E81 PolarHBondContact NZ-O 3.43Å; F77-E81 WeakPolarHBondContact O-CB 3.34Å; F77-E81 PolarHBondContact O-N 2.81Å; V78-E81 WeakPolarHBondContact O-CB 3.36Å; V78-E81 PolarHBondContact O-N 2.62Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.13Å
82I97.4Very high95.3Very high1 Ų142.7 Ų42.71%0.00521%0.214CC..Hα-helixtrans-96.2-16.2-171.175.2-173.4000113.8I6 N56 V60 L66 L68 V78 P84 D85 I86I6-I82 HydrophobicContact CD1-CD1 3.45Å; I6-I82 VanDerWaalsContact CD1-CD1 3.45Å; I6-I82 HydrophobicContact CD1-CG2 4.06Å; N56-I82 HydrophobicContact CB-CG2 3.68Å; V60-I82 HydrophobicContact CG2-CB 3.81Å; V60-I82 HydrophobicContact CG2-CD1 4.1Å; V60-I82 HydrophobicContact CG2-CG1 4.39Å; V60-I82 HydrophobicContact CG2-CG2 3.92Å; L66-I82 HydrophobicContact CD2-CD1 3.95Å; L68-I82 HydrophobicContact CD2-CD1 4.34Å; V78-I82 HydrophobicContact CG1-CD1 3.9Å; V78-I82 VanDerWaalsContact O-CG1 3.28Å; V78-I82 WeakPolarHBondContact O-CG1 3.4Å; V78-I82 PolarHBondContact O-N 2.81Å; I82-P84 VanDerWaalsContact C-CD 3.45Å; I82-P84 VanDerWaalsContact C-N 3.32Å; I82-D85 WeakPolarHBondContact O-CA 3.45Å; I82-D85 WeakPolarHBondContact O-CB 3.14Å; I82-D85 PolarHBondContact O-N 3.4Å; I82-I86 HydrophobicContact CD1-CD1 4.31Å; I82-I86 HydrophobicContact CG1-CD1 4.25Å; I82-I86 HydrophobicContact CG1-CG1 4.41Å; I82-I86 PolarHBondContact O-N 3.16Å
83G96.7Very high95.7Very high0 Ų041.4 Ų41.40%021%0.206CC..G310 helixtrans-47.8-45.9-176.200000114.3L79 D85 I86 Y111L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.29Å; L79-G83 PolarHBondContact O-N 2.87Å; G83-D85 PolarHBondContact O-N 3.4Å; G83-I86 PolarHBondContact O-N 2.9Å; G83-Y111 WeakPolarHBondContact O-CB 3.36Å
84P97.4Very high96.3Very high65 Ų6538.9 Ų38.942%0.42219%0.194SC..G310 helixtrans-60.5-27.7175.5-2534.2000115I82 Y111I82-P84 VanDerWaalsContact C-CD 3.45Å; I82-P84 VanDerWaalsContact C-N 3.32Å; P84-Y111 HydrophobicContact CB-CD1 4.38Å; P84-Y111 HydrophobicContact CG-CD1 3.75Å; P84-Y111 HydrophobicContact CG-CE1 3.66Å
85D97.3Very high96.4Very high58 Ų5837 Ų3731%0.3119%0.186SC..G310 helixtrans-94.1-8.2-175.1-55.3-70.8000112.7K57 V60 I82 G83K57-D85 WeakPolarHBondContact CG-OD2 3.34Å; K57-D85 IonicContact NZ-OD2 3.05Å; K57-D85 PolarHBondContact NZ-OD2 3.41Å; V60-D85 HydrophobicContact CG1-CB 4.27Å; I82-D85 WeakPolarHBondContact O-CA 3.45Å; I82-D85 WeakPolarHBondContact O-CB 3.14Å; I82-D85 PolarHBondContact O-N 3.4Å; G83-D85 PolarHBondContact O-N 3.4Å
86I97.4Very high96.3Very high3 Ų337.1 Ų37.12%0.01519%0.187CC..  trans-65.1150.3170.8-60.9-58.6000109V60 L66 I82 G83 H90 I92 L108 R112V60-I86 HydrophobicContact CG1-CD1 3.86Å; V60-I86 HydrophobicContact CG2-CD1 4.43Å; L66-I86 HydrophobicContact CD2-CD1 4.14Å; I82-I86 HydrophobicContact CD1-CD1 4.31Å; I82-I86 HydrophobicContact CG1-CD1 4.25Å; I82-I86 HydrophobicContact CG1-CG1 4.41Å; I82-I86 PolarHBondContact O-N 3.16Å; G83-I86 PolarHBondContact O-N 2.9Å; I86-H90 HydrophobicContact CG2-CB 4.39Å; I86-I92 HydrophobicContact CD1-CD1 3.92Å; I86-I92 HydrophobicContact CD1-CG1 4.37Å; I86-I92 HydrophobicContact CG1-CD1 4.18Å; I86-I92 HydrophobicContact CG2-CD1 4.01Å; I86-L108 HydrophobicContact CG1-CD2 4.18Å; I86-R112 HydrophobicContact CB-CG 4.37Å; I86-R112 HydrophobicContact CG2-CG 4.24Å; I86-R112 PolarHBondContact O-NE 3.19Å; I86-R112 PolarHBondContact O-NH2 3.13Å
87E96.6Very high96.1Very high83 Ų8337 Ų3739%0.38819%0.19SC..  trans-146.3163-175.9-62178.2-120.700108.1R89 H90E87-R89 HydrophobicContact CB-CG 4.44Å; E87-R89 PolarHBondContact O-N 3.41Å; E87-R89 IonicContact OE1-CZ 3.27Å; E87-R89 VanDerWaalsContact OE1-CZ 3.27Å; E87-R89 IonicContact OE1-NH1 2.87Å; E87-R89 PolarHBondContact OE1-NH1 3.49Å; E87-R89 IonicContact OE1-NH2 2.84Å; E87-R89 PolarHBondContact OE1-NH2 3.39Å; E87-R89 IonicContact OE2-CZ 3.71Å; E87-R89 IonicContact OE2-NH1 2.68Å; E87-R89 PolarHBondContact OE2-NH1 3.03Å; E87-H90 WeakPolarHBondContact CB-ND1 3.3Å; E87-H90 PolarHBondContact N-ND1 2.92Å; E87-H90 WeakPolarHBondContact O-CB 3.42Å; E87-H90 PolarHBondContact O-N 2.84Å; E87-H90 PolarHBondContact O-ND1 2.77Å; E87-H90 IonicContact OE1-CE1 3.98Å
88D94.9Very high95.8Very high123 Ų12331 Ų3166%0.65816%0.164SC*.THydrogen-bonded Turntrans-61.6-22.5-172.4-55.7-24.1000114.1H90D88-H90 VanDerWaalsContact C-N 3.28Å; D88-H90 PolarHBondContact O-N 3.44Å
89R95.6Very high95.6Very high104 Ų10431 Ų3139%0.39216%0.164SC..THydrogen-bonded Turntrans-71.2-20.5175.470.2162.1-176.8-77.3-11.4113.9E87E87-R89 HydrophobicContact CB-CG 4.44Å; E87-R89 PolarHBondContact O-N 3.41Å; E87-R89 IonicContact OE1-CZ 3.27Å; E87-R89 VanDerWaalsContact OE1-CZ 3.27Å; E87-R89 IonicContact OE1-NH1 2.87Å; E87-R89 PolarHBondContact OE1-NH1 3.49Å; E87-R89 IonicContact OE1-NH2 2.84Å; E87-R89 PolarHBondContact OE1-NH2 3.39Å; E87-R89 IonicContact OE2-CZ 3.71Å; E87-R89 IonicContact OE2-NH1 2.68Å; E87-R89 PolarHBondContact OE2-NH1 3.03Å
90H98.1Very high95.6Very high2 Ų231.7 Ų31.71%0.00917%0.168CC..  trans-83.1123-167.8-65.3110.7000111V60 S63 D64 I86 E87 D88V60-H90 PolarHBondContact O-NE2 3.45Å; S63-H90 PolarHBondContact O-CD2 2.68Å; S63-H90 PolarHBondContact O-NE2 2.9Å; D64-H90 WeakPolarHBondContact O-CA 3.44Å; I86-H90 HydrophobicContact CG2-CB 4.39Å; E87-H90 WeakPolarHBondContact CB-ND1 3.3Å; E87-H90 PolarHBondContact N-ND1 2.92Å; E87-H90 WeakPolarHBondContact O-CB 3.42Å; E87-H90 PolarHBondContact O-N 2.84Å; E87-H90 PolarHBondContact O-ND1 2.77Å; E87-H90 IonicContact OE1-CE1 3.98Å; D88-H90 VanDerWaalsContact C-N 3.28Å; D88-H90 PolarHBondContact O-N 3.44Å
91L98.4Very high95.7Very high5 Ų529.3 Ų29.33%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-94.5114.8166.9178.559.9000109.7D64 V65 L66 V93 K116 M118 D145D64-L91 PolarHBondContact O-N 2.62Å; V65-L91 CarbonylContact C-O 3.43Å; V65-L91 WeakPolarHBondContact CA-O 3.32Å; V65-L91 HydrophobicContact CG1-CD2 4.46Å; V65-L91 HydrophobicContact CG2-CB 4.38Å; V65-L91 HydrophobicContact CG2-CD2 4.4Å; L66-L91 PolarHBondContact N-O 2.91Å; L91-V93 HydrophobicContact CD2-CG2 4.45Å; L91-V93 HydrophobicContact CG-CG2 4.12Å; L91-K116 HydrophobicContact CD1-CB 4.09Å; L91-M118 HydrophobicContact CD1-CE 3.77Å; L91-M118 HydrophobicContact CD1-CG 4.04Å; L91-M118 HydrophobicContact CD1-SD 4.04Å; L91-M118 HydrophobicContact CD2-CE 4.29Å; L91-M118 HydrophobicContact CD2-SD 4.28Å; L91-D145 HydrophobicContact CD1-CB 4.07Å; L91-D145 HydrophobicContact CD2-CB 4.18Å
92I98.5Very high95.6Very high1 Ų129.5 Ų29.51%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-95.8117.3-176.6-59.1166.5000109L68 I86 L108 K116 V117 M118L68-I92 HydrophobicContact CD1-CG2 3.79Å; L68-I92 HydrophobicContact CG-CG2 4.05Å; I86-I92 HydrophobicContact CD1-CD1 3.92Å; I86-I92 HydrophobicContact CD1-CG1 4.37Å; I86-I92 HydrophobicContact CG1-CD1 4.18Å; I86-I92 HydrophobicContact CG2-CD1 4.01Å; I92-L108 HydrophobicContact CD1-CD1 3.29Å; I92-K116 PolarHBondContact N-O 3.12Å; I92-V117 HydrophobicContact CB-CG2 4.44Å; I92-V117 CarbonylContact O-C 3.46Å; I92-V117 WeakPolarHBondContact O-CA 3.24Å; I92-M118 PolarHBondContact O-N 3.22Å
93V98.6Very high95.5Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-113.3104.8-177.8-173.80000109.1V65 L66 F67 L68 L91 M118 C120 L149V65-V93 HydrophobicContact CG1-CG2 3.8Å; L66-V93 PolarHBondContact O-N 3.43Å; F67-V93 CarbonylContact C-O 3.5Å; F67-V93 VanDerWaalsContact CA-O 3.3Å; F67-V93 WeakPolarHBondContact CA-O 3.36Å; F67-V93 HydrophobicContact CD1-CB 3.85Å; F67-V93 HydrophobicContact CD1-CG1 3.77Å; F67-V93 HydrophobicContact CE1-CB 3.97Å; F67-V93 HydrophobicContact CE1-CG1 3.62Å; F67-V93 HydrophobicContact CE1-CG2 4.47Å; F67-V93 HydrophobicContact CG-CB 4.39Å; F67-V93 HydrophobicContact CZ-CG1 4.49Å; L68-V93 PolarHBondContact N-O 3.21Å; L91-V93 HydrophobicContact CD2-CG2 4.45Å; L91-V93 HydrophobicContact CG-CG2 4.12Å; V93-M118 CarbonylContact C-O 3.57Å; V93-M118 WeakPolarHBondContact CA-O 3.43Å; V93-C120 HydrophobicContact CG1-CB 3.57Å; V93-L149 HydrophobicContact CG1-CD1 4.09Å; V93-L149 HydrophobicContact CG1-CD2 3.97Å; V93-L149 HydrophobicContact CG2-CD1 4Å; V93-L149 HydrophobicContact CG2-CD2 4.24Å
94S98Very high95.5Very high0 Ų031 Ų310%018%0.176CC..EExtended strand (participates in β ladder)trans-83.2124.2177.1-178.30000111.4A96 M118 C120S94-A96 PolarHBondContact OG-N 3.33Å; S94-M118 PolarHBondContact N-O 3.07Å; S94-C120 PolarHBondContact O-N 3.07Å; S94-C120 VanDerWaalsContact O-O 3.13Å
95C95.9Very high95.5Very high20 Ų2028.4 Ų28.414%0.13516%0.158CC..  trans-102.89.1172-610000113L11 L68 C120L11-C95 HydrophobicContact CD2-CB 3.56Å; L68-C95 PolarHBondContact O-N 2.84Å; C95-C120 WeakPolarHBondContact CA-O 3.48Å
96A91.6Very high95.4Very high5 Ų533.1 Ų33.14%0.04118%0.176CC..  trans-79.7123.3-175.300000111.4P72 I75 S94 G98 V99P72-A96 HydrophobicContact CG-CB 4.39Å; I75-A96 HydrophobicContact CD1-CB 3.88Å; I75-A96 HydrophobicContact CG1-CB 3.63Å; S94-A96 PolarHBondContact OG-N 3.33Å; A96-G98 PolarHBondContact O-N 2.9Å; A96-V99 HydrophobicContact CB-CB 4.03Å; A96-V99 HydrophobicContact CB-CG2 3.6Å; A96-V99 PolarHBondContact O-N 3.49Å
97A87.6Confident95.2Very high37 Ų3734.9 Ų34.931%0.30618%0.183SC..THydrogen-bonded Turntrans-59.5128.817900000111.9P72 V99 T265P72-A97 WeakPolarHBondContact CB-O 3.32Å; P72-A97 HydrophobicContact CG-CB 4.39Å; P72-A97 WeakPolarHBondContact CG-O 3.4Å; A97-V99 PolarHBondContact O-N 3.35Å; A97-T265 HydrophobicContact CB-CG2 4.41Å
98G86.3Confident95.2Very high1 Ų131 Ų311%0.0117%0.165CC..THydrogen-bonded Turntrans70.69.3179.200000115.1A96 Q269A96-G98 PolarHBondContact O-N 2.9Å; G98-Q269 WeakPolarHBondContact O-CA 3.41Å; G98-Q269 WeakPolarHBondContact O-CB 3.34Å; G98-Q269 WeakPolarHBondContact O-CG 3.42Å
99V93.3Very high95.3Very high8 Ų829.4 Ų29.45%0.04815%0.154CC..  trans-94117.3173.6-176.40000109P72 I75 A96 A97 S103 I104 R119P72-V99 HydrophobicContact CB-CG2 3.74Å; I75-V99 HydrophobicContact CB-CG1 4.45Å; I75-V99 HydrophobicContact CG1-CG2 4.18Å; I75-V99 HydrophobicContact CG2-CG1 4.03Å; A96-V99 HydrophobicContact CB-CB 4.03Å; A96-V99 HydrophobicContact CB-CG2 3.6Å; A96-V99 PolarHBondContact O-N 3.49Å; A97-V99 PolarHBondContact O-N 3.35Å; V99-S103 WeakPolarHBondContact CG1-OG 3.36Å; V99-I104 HydrophobicContact CG1-CD1 3.89Å; V99-I104 HydrophobicContact CG1-CG1 3.78Å; V99-R119 WeakPolarHBondContact O-CD 3.4Å; V99-R119 PolarHBondContact O-NE 3.36Å
100T95.6Very high95.2Very high17 Ų1730.5 Ų30.510%0.10416%0.163CC..  trans-77.7152.8-175.759.70000112.6S102 S103 I104 E164 Q269T100-S102 VanDerWaalsContact C-N 3.25Å; T100-S102 PolarHBondContact O-N 3.26Å; T100-S103 PolarHBondContact N-OG 2.98Å; T100-S103 PolarHBondContact O-N 3.24Å; T100-S103 PolarHBondContact O-OG 2.96Å; T100-S103 VanDerWaalsContact OG1-CB 3.28Å; T100-S103 WeakPolarHBondContact OG1-CB 3.32Å; T100-S103 PolarHBondContact OG1-N 2.88Å; T100-S103 PolarHBondContact OG1-OG 3.18Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.23Å; T100-E164 WeakPolarHBondContact CA-OE1 3.48Å; T100-E164 WeakPolarHBondContact CB-OE1 3.39Å; T100-Q269 HydrophobicContact CG2-CG 4.19Å
101I97.2Very high95.1Very high8 Ų834.6 Ų34.64%0.04118%0.179CC..Hα-helixtrans-53.1-49168.4-65.8175.7000109.6S103 I104 E105 V117 R119 A136 E164I101-S103 VanDerWaalsContact C-N 3.31Å; I101-S103 PolarHBondContact O-N 3.12Å; I101-I104 PolarHBondContact O-N 3.13Å; I101-E105 HydrophobicContact CG2-CG 4.02Å; I101-E105 PolarHBondContact O-N 3.23Å; I101-V117 HydrophobicContact CG2-CG1 4.3Å; I101-R119 HydrophobicContact CD1-CB 3.99Å; I101-R119 HydrophobicContact CG1-CB 3.56Å; I101-A136 HydrophobicContact CD1-CB 3.94Å; I101-E164 HydrophobicContact CD1-CG 4.15Å; I101-E164 HydrophobicContact CG1-CG 4.39Å; I101-E164 PolarHBondContact N-OE1 3.37Å
102S96.1Very high94.8Very high79 Ų7938.4 Ų38.455%0.55219%0.193SC*.Hα-helixtrans-55.8-42.4-179.4-1760000113T100 I104 K106T100-S102 VanDerWaalsContact C-N 3.25Å; T100-S102 PolarHBondContact O-N 3.26Å; S102-I104 VanDerWaalsContact C-N 3.33Å; S102-I104 PolarHBondContact O-N 3.47Å; S102-K106 VanDerWaalsContact O-CB 3.22Å; S102-K106 WeakPolarHBondContact O-CB 3.46Å; S102-K106 PolarHBondContact O-N 3.39Å
103S94.4Very high94.5Very high33 Ų3344.2 Ų44.223%0.23123%0.229CC..Hα-helixtrans-64.2-37.9178720000112.6V99 T100 I101 K107V99-S103 WeakPolarHBondContact CG1-OG 3.36Å; T100-S103 PolarHBondContact N-OG 2.98Å; T100-S103 PolarHBondContact O-N 3.24Å; T100-S103 PolarHBondContact O-OG 2.96Å; T100-S103 VanDerWaalsContact OG1-CB 3.28Å; T100-S103 WeakPolarHBondContact OG1-CB 3.32Å; T100-S103 PolarHBondContact OG1-N 2.88Å; T100-S103 PolarHBondContact OG1-OG 3.18Å; I101-S103 VanDerWaalsContact C-N 3.31Å; I101-S103 PolarHBondContact O-N 3.12Å; S103-K107 PolarHBondContact O-N 2.99Å
104I96.5Very high94.4Very high0 Ų047.1 Ų47.10%025%0.25CC..Hα-helixtrans-72.6-49.8179.6-63161.1000110.1I75 L79 V99 T100 I101 S102 K106 K107 L108 V117I75-I104 HydrophobicContact CG2-CG1 4.41Å; L79-I104 HydrophobicContact CD1-CB 4.17Å; L79-I104 HydrophobicContact CD1-CG1 4.12Å; L79-I104 HydrophobicContact CD1-CG2 3.97Å; L79-I104 HydrophobicContact CD2-CG2 4.04Å; V99-I104 HydrophobicContact CG1-CD1 3.89Å; V99-I104 HydrophobicContact CG1-CG1 3.78Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.23Å; I101-I104 PolarHBondContact O-N 3.13Å; S102-I104 VanDerWaalsContact C-N 3.33Å; S102-I104 PolarHBondContact O-N 3.47Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.25Å; I104-K107 PolarHBondContact O-N 3.49Å; I104-L108 HydrophobicContact CG2-CD1 3.7Å; I104-L108 HydrophobicContact CG2-CG 4.35Å; I104-L108 WeakPolarHBondContact O-CG 3.37Å; I104-L108 PolarHBondContact O-N 2.95Å; I104-V117 HydrophobicContact CB-CG1 4.12Å; I104-V117 HydrophobicContact CD1-CG1 4.25Å; I104-V117 HydrophobicContact CG2-CG1 3.8Å; I104-V117 HydrophobicContact CG2-CG2 3.93Å
105E97.2Very high94.3Very high10 Ų1047.3 Ų47.35%0.04725%0.251CS..Hα-helixtrans-58.9-46.2178.9-73-173.1164.100111.1I101 K107 L108 Q109 V117 G138 T139I101-E105 HydrophobicContact CG2-CG 4.02Å; I101-E105 PolarHBondContact O-N 3.23Å; E105-K107 PolarHBondContact O-N 3.31Å; E105-L108 PolarHBondContact O-N 3.46Å; E105-L108 VanDerWaalsContact O-N 3.16Å; E105-Q109 VanDerWaalsContact O-CB 3.23Å; E105-Q109 WeakPolarHBondContact O-CB 3.23Å; E105-Q109 WeakPolarHBondContact O-CG 3.43Å; E105-Q109 PolarHBondContact O-N 2.87Å; E105-V117 HydrophobicContact CG-CB 4.02Å; E105-V117 HydrophobicContact CG-CG2 3.83Å; E105-G138 WeakPolarHBondContact OE1-CA 3.45Å; E105-T139 PolarHBondContact OE1-N 2.96Å; E105-T139 PolarHBondContact OE1-OG1 3.27Å; E105-T139 WeakPolarHBondContact OE2-CB 3.45Å; E105-T139 PolarHBondContact OE2-OG1 3.44Å
106K95.2Very high94.4Very high156 Ų15648 Ų4868%0.67825%0.252SS*.Hα-helixtrans-56.7-38.5178.8-177.9-179178.5-1760112.8S102 I104S102-K106 VanDerWaalsContact O-CB 3.22Å; S102-K106 WeakPolarHBondContact O-CB 3.46Å; S102-K106 PolarHBondContact O-N 3.39Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.25Å
107K94.4Very high94.7Very high40 Ų4047.8 Ų47.817%0.17425%0.25CC..Hα-helixtrans-71.9-46.9176.7-83.9-79-172.2167.40111.4L79 D80 S103 I104 E105 Q109 Q110L79-K107 HydrophobicContact CB-CB 4.31Å; L79-K107 HydrophobicContact CD1-CB 4.02Å; L79-K107 HydrophobicContact CD1-CG 4.48Å; D80-K107 VanDerWaalsContact CG-NZ 3.34Å; D80-K107 WeakPolarHBondContact OD1-CD 3.3Å; D80-K107 IonicContact OD1-NZ 2.68Å; D80-K107 PolarHBondContact OD1-NZ 3.37Å; D80-K107 IonicContact OD2-NZ 2.62Å; D80-K107 PolarHBondContact OD2-NZ 2.95Å; S103-K107 PolarHBondContact O-N 2.99Å; I104-K107 PolarHBondContact O-N 3.49Å; E105-K107 PolarHBondContact O-N 3.31Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 3.34Å; K107-Q110 WeakPolarHBondContact O-CB 3.27Å; K107-Q110 WeakPolarHBondContact O-CG 3.1Å; K107-Q110 PolarHBondContact O-N 3.5Å
108L96.1Very high95.2Very high1 Ų146 Ų461%0.00524%0.235CC..Hα-helixtrans-70.9-27.4-178.3-68.4175.9000113.4L79 I86 I92 I104 E105 Q110 Y111 R112 P115 V117L79-L108 HydrophobicContact CD2-CD1 4.22Å; L79-L108 HydrophobicContact CD2-CD2 3.96Å; L79-L108 HydrophobicContact CD2-CG 4.1Å; I86-L108 HydrophobicContact CG1-CD2 4.18Å; I92-L108 HydrophobicContact CD1-CD1 3.29Å; I104-L108 HydrophobicContact CG2-CD1 3.7Å; I104-L108 HydrophobicContact CG2-CG 4.35Å; I104-L108 WeakPolarHBondContact O-CG 3.37Å; I104-L108 PolarHBondContact O-N 2.95Å; E105-L108 PolarHBondContact O-N 3.46Å; E105-L108 VanDerWaalsContact O-N 3.16Å; L108-Q110 PolarHBondContact O-N 2.78Å; L108-Q110 VanDerWaalsContact O-N 3.12Å; L108-Y111 PolarHBondContact O-N 3.34Å; L108-R112 PolarHBondContact O-N 2.98Å; L108-P115 HydrophobicContact CB-CB 3.84Å; L108-P115 HydrophobicContact CB-CG 3.91Å; L108-P115 HydrophobicContact CD1-CB 4.04Å; L108-V117 HydrophobicContact CD1-CG2 3.98Å
109Q95.8Very high95.8Very high90 Ų9046.3 Ų46.342%0.42124%0.236SC..THydrogen-bonded Turntrans-61.8-16.9176.3-81.1171.1-7.400114E105 K107 Y111 R112 P115 H140E105-Q109 VanDerWaalsContact O-CB 3.23Å; E105-Q109 WeakPolarHBondContact O-CB 3.23Å; E105-Q109 WeakPolarHBondContact O-CG 3.43Å; E105-Q109 PolarHBondContact O-N 2.87Å; K107-Q109 VanDerWaalsContact C-N 3.32Å; K107-Q109 PolarHBondContact O-N 3.34Å; Q109-Y111 PolarHBondContact O-N 3.23Å; Q109-R112 VanDerWaalsContact CA-O 3.24Å; Q109-R112 WeakPolarHBondContact CA-O 3.5Å; Q109-P115 HydrophobicContact CG-CG 4.11Å; Q109-H140 PolarHBondContact NE2-NE2 3.16Å
110Q94.7Very high96Very high128 Ų12846.1 Ų46.160%0.59824%0.235SC*.THydrogen-bonded Turntrans-68.6-23.4171.1-58.5-178.91.600112.6K107 L108K107-Q110 WeakPolarHBondContact O-CB 3.27Å; K107-Q110 WeakPolarHBondContact O-CG 3.1Å; K107-Q110 PolarHBondContact O-N 3.5Å; L108-Q110 PolarHBondContact O-N 2.78Å; L108-Q110 VanDerWaalsContact O-N 3.12Å
111Y94.8Very high96Very high87 Ų8746.6 Ų46.634%0.34124%0.236SC..THydrogen-bonded Turntrans-115.3-29.1-175.4-53.3-76.5000112.7G83 P84 L108 Q109G83-Y111 WeakPolarHBondContact O-CB 3.36Å; P84-Y111 HydrophobicContact CB-CD1 4.38Å; P84-Y111 HydrophobicContact CG-CD1 3.75Å; P84-Y111 HydrophobicContact CG-CE1 3.66Å; L108-Y111 PolarHBondContact O-N 3.34Å; Q109-Y111 PolarHBondContact O-N 3.23Å
112R93.8Very high96Very high85 Ų8546.7 Ų46.732%0.32124%0.237SC..  trans-141.4132.5-175.9-65.7-62.6174.1-171.70.4111.9I86 L108 Q109 S114 P115I86-R112 HydrophobicContact CB-CG 4.37Å; I86-R112 HydrophobicContact CG2-CG 4.24Å; I86-R112 PolarHBondContact O-NE 3.19Å; I86-R112 PolarHBondContact O-NH2 3.13Å; L108-R112 PolarHBondContact O-N 2.98Å; Q109-R112 VanDerWaalsContact CA-O 3.24Å; Q109-R112 WeakPolarHBondContact CA-O 3.5Å; R112-S114 PolarHBondContact O-N 3.36Å; R112-P115 WeakPolarHBondContact O-CD 3.48Å
113T92Very high96Very high124 Ų12443.6 Ų43.676%0.76121%0.214SC*.SBendtrans-64.3-38.9-175.8-51.30000113.5
114S94.9Very high96Very high61 Ų6145.2 Ų45.243%0.42722%0.223SC..SBendtrans-132.269.2-172.7-65.40000111.6R112 K116 H140R112-S114 PolarHBondContact O-N 3.36Å; S114-K116 PolarHBondContact O-N 3.24Å; S114-H140 PolarHBondContact OG-ND1 3.23Å
115P96.8Very high96Very high4 Ų446.5 Ų46.53%0.02623%0.232CC..  trans-70.7125.8179.730-32.9000110.6L108 Q109 R112 V117L108-P115 HydrophobicContact CB-CB 3.84Å; L108-P115 HydrophobicContact CB-CG 3.91Å; L108-P115 HydrophobicContact CD1-CB 4.04Å; Q109-P115 HydrophobicContact CG-CG 4.11Å; R112-P115 WeakPolarHBondContact O-CD 3.48Å; P115-V117 HydrophobicContact CB-CG2 4.22Å; P115-V117 PolarHBondContact O-N 3.25Å
116K98.1Very high96Very high35 Ų3546 Ų4615%0.15223%0.229CC..EExtended strand (participates in β ladder)trans-76.9103.9174.6-65.1177.5167.4-140.20109.8L91 I92 S114 E142 D145L91-K116 HydrophobicContact CD1-CB 4.09Å; I92-K116 PolarHBondContact N-O 3.12Å; S114-K116 PolarHBondContact O-N 3.24Å; K116-E142 IonicContact NZ-OE2 3.08Å; K116-E142 PolarHBondContact NZ-OE2 3.27Å; K116-D145 WeakPolarHBondContact CD-OD2 3.26Å; K116-D145 WeakPolarHBondContact CE-OD2 3.14Å; K116-D145 IonicContact NZ-OD1 3.79Å; K116-D145 PolarHBondContact NZ-OD1 2.87Å; K116-D145 VanDerWaalsContact NZ-OD1 3.16Å; K116-D145 IonicContact NZ-OD2 2.71Å; K116-D145 PolarHBondContact NZ-OD2 3.02Å
117V98.3Very high95.9Very high0 Ų040.6 Ų40.60%021%0.209CC..EExtended strand (participates in β ladder)trans-118.7141.8-176.8-179.20000110.2I92 I101 I104 E105 L108 P115 G138I92-V117 HydrophobicContact CB-CG2 4.44Å; I92-V117 CarbonylContact O-C 3.46Å; I92-V117 WeakPolarHBondContact O-CA 3.24Å; I101-V117 HydrophobicContact CG2-CG1 4.3Å; I104-V117 HydrophobicContact CB-CG1 4.12Å; I104-V117 HydrophobicContact CD1-CG1 4.25Å; I104-V117 HydrophobicContact CG2-CG1 3.8Å; I104-V117 HydrophobicContact CG2-CG2 3.93Å; E105-V117 HydrophobicContact CG-CB 4.02Å; E105-V117 HydrophobicContact CG-CG2 3.83Å; L108-V117 HydrophobicContact CD1-CG2 3.98Å; P115-V117 HydrophobicContact CB-CG2 4.22Å; P115-V117 PolarHBondContact O-N 3.25Å; V117-G138 WeakPolarHBondContact O-CA 3.48Å; V117-G138 PolarHBondContact O-N 3.37Å
118M98.2Very high95.9Very high0 Ų043.5 Ų43.50%023%0.23CC..EExtended strand (participates in β ladder)trans-133.4146167.4-66.2-176.5-176.300109.8L91 I92 V93 S94 Y135 A136 T137 A141 D145 G146 L149L91-M118 HydrophobicContact CD1-CE 3.77Å; L91-M118 HydrophobicContact CD1-CG 4.04Å; L91-M118 HydrophobicContact CD1-SD 4.04Å; L91-M118 HydrophobicContact CD2-CE 4.29Å; L91-M118 HydrophobicContact CD2-SD 4.28Å; I92-M118 PolarHBondContact O-N 3.22Å; V93-M118 CarbonylContact C-O 3.57Å; V93-M118 WeakPolarHBondContact CA-O 3.43Å; S94-M118 PolarHBondContact N-O 3.07Å; M118-Y135 HydrophobicContact SD-CD2 4.5Å; M118-A136 WeakPolarHBondContact CA-O 3.3Å; M118-T137 HydrophobicContact CE-CG2 4.23Å; M118-A141 HydrophobicContact CE-CB 3.86Å; M118-D145 HydrophobicContact CE-CB 3.42Å; M118-D145 VanDerWaalsContact CE-CB 3.42Å; M118-G146 VanDerWaalsContact CE-N 3.27Å; M118-L149 HydrophobicContact CB-CD2 4.04Å; M118-L149 HydrophobicContact CG-CD2 4.39Å; M118-L149 HydrophobicContact SD-CB 3.86Å; M118-L149 HydrophobicContact SD-CD2 3.41Å; M118-L149 WeakPolarHBondContact SD-CD2 3.41Å; M118-L149 HydrophobicContact SD-CG 4.26Å
119R98.1Very high96Very high7 Ų749.3 Ų49.33%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-103.9128.1169.5-178.2176.8175.1-167.3-6.5108.3V99 I101 Y135 A136 E164 I167 D168V99-R119 WeakPolarHBondContact O-CD 3.4Å; V99-R119 PolarHBondContact O-NE 3.36Å; I101-R119 HydrophobicContact CD1-CB 3.99Å; I101-R119 HydrophobicContact CG1-CB 3.56Å; R119-Y135 CarbonylContact O-C 3.57Å; R119-Y135 WeakPolarHBondContact O-CA 3.44Å; R119-A136 PolarHBondContact N-O 3.43Å; R119-A136 PolarHBondContact O-N 3.33Å; R119-E164 VanDerWaalsContact CD-OE1 3.23Å; R119-E164 WeakPolarHBondContact CD-OE1 3.41Å; R119-E164 IonicContact CZ-OE1 3.26Å; R119-E164 IonicContact NH1-OE1 2.73Å; R119-E164 PolarHBondContact NH1-OE1 3.49Å; R119-I167 HydrophobicContact CB-CD1 4.19Å; R119-I167 HydrophobicContact CG-CD1 3.87Å; R119-D168 IonicContact CZ-OD1 2.75Å; R119-D168 IonicContact NH2-OD1 3.16Å; R119-D168 PolarHBondContact NH2-OD1 3.02Å
120C96.8Very high96Very high4 Ų451.2 Ų51.23%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-124.3135.9-177.9175.50000109.3V93 S94 C95 T133 V134V93-C120 HydrophobicContact CG1-CB 3.57Å; S94-C120 PolarHBondContact O-N 3.07Å; S94-C120 VanDerWaalsContact O-O 3.13Å; C95-C120 WeakPolarHBondContact CA-O 3.48Å; C120-T133 WeakPolarHBondContact SG-CG2 3.21Å; C120-V134 WeakPolarHBondContact CA-O 3.23Å
121M96.4Very high96.2Very high26 Ų2645.2 Ų45.213%0.12823%0.233CC..EExtended strand (participates in β ladder)trans-120.5121.9169.7-168.4-59.4134.500107.5T133 V134 I167 V170 T171M121-T133 CarbonylContact O-C 3.49Å; M121-T133 VanDerWaalsContact O-CA 3.24Å; M121-T133 WeakPolarHBondContact O-CA 3.4Å; M121-V134 HydrophobicContact CB-CG2 3.93Å; M121-V134 PolarHBondContact N-O 3.34Å; M121-V134 PolarHBondContact O-N 3.36Å; M121-I167 HydrophobicContact CB-CG2 3.72Å; M121-I167 HydrophobicContact CG-CG2 4.22Å; M121-V170 HydrophobicContact SD-CG1 4.34Å; M121-T171 HydrophobicContact CE-CG2 4.22Å; M121-T171 VanDerWaalsContact CG-OG1 3.31Å; M121-T171 WeakPolarHBondContact CG-OG1 3.38Å
122T97.4Very high96.4Very high11 Ų1142.3 Ų42.37%0.06723%0.227CC..  trans-139.5175177.2-164.50000110.3L11 L15 V126 T133 M153L11-T122 HydrophobicContact CD1-CG2 3.61Å; L15-T122 HydrophobicContact CD2-CG2 4.37Å; T122-V126 VanDerWaalsContact OG1-CG1 3.24Å; T122-V126 WeakPolarHBondContact OG1-CG1 3.24Å; T122-T133 WeakPolarHBondContact CB-OG1 3.17Å; T122-T133 PolarHBondContact OG1-OG1 2.86Å; T122-M153 HydrophobicContact CG2-CE 4.18Å
123N96.5Very high96.6Very high13 Ų1338.3 Ų38.37%0.0721%0.212CC..  trans-130.5166.9-174.664.68.1000112.6P125 V126 G131 A132 S174 P178N123-P125 WeakPolarHBondContact OD1-CD 3.33Å; N123-V126 WeakPolarHBondContact O-CG1 3.34Å; N123-V126 WeakPolarHBondContact O-CG2 3.47Å; N123-V126 PolarHBondContact O-N 2.89Å; N123-G131 VanDerWaalsContact OD1-CA 3.26Å; N123-G131 WeakPolarHBondContact OD1-CA 3.49Å; N123-A132 PolarHBondContact OD1-N 3.23Å; N123-S174 VanDerWaalsContact CB-O 3.32Å; N123-S174 WeakPolarHBondContact CB-O 3.31Å; N123-S174 PolarHBondContact ND2-O 3Å; N123-P178 HydrophobicContact CB-CG 4.07Å
124T93.8Very high96.9Very high67 Ų6732.9 Ų32.941%0.41118%0.179SC..G310 helixtrans-63.1-26.3-174.653.20000115.9V126 V127T124-V126 PolarHBondContact O-N 3.27Å; T124-V127 VanDerWaalsContact O-CG1 3.31Å; T124-V127 WeakPolarHBondContact O-CG1 3.5Å; T124-V127 PolarHBondContact O-N 3.25Å; T124-V127 VanDerWaalsContact O-N 3.17Å
125P96.6Very high97.1Very high28 Ų2830.1 Ų30.118%0.18216%0.159CC..G310 helixtrans-56.4-10.1172.3-30.837.6000116.9N123 V127 V128 R129 E130 P178N123-P125 WeakPolarHBondContact OD1-CD 3.33Å; P125-V127 PolarHBondContact O-N 2.97Å; P125-V128 WeakPolarHBondContact O-CG2 3.45Å; P125-V128 PolarHBondContact O-N 3.04Å; P125-R129 PolarHBondContact O-N 3.33Å; P125-E130 VanDerWaalsContact CB-O 3.29Å; P125-E130 WeakPolarHBondContact CB-O 3.21Å; P125-E130 PolarHBondContact O-N 2.82Å; P125-P178 HydrophobicContact CG-CB 4.12Å; P125-P178 HydrophobicContact CG-CG 3.69Å
126V96.7Very high97.2Very high0 Ų030.1 Ų30.10%016%0.16CC..G310 helixtrans-53-26.1168.2-64.40000113A14 L15 T122 N123 T124 V128 R129 V156A14-V126 HydrophobicContact CB-CG2 3.58Å; L15-V126 HydrophobicContact CD2-CB 4.09Å; L15-V126 HydrophobicContact CD2-CG1 4.08Å; L15-V126 HydrophobicContact CD2-CG2 3.86Å; L15-V126 HydrophobicContact CG-CG2 4.15Å; T122-V126 VanDerWaalsContact OG1-CG1 3.24Å; T122-V126 WeakPolarHBondContact OG1-CG1 3.24Å; N123-V126 WeakPolarHBondContact O-CG1 3.34Å; N123-V126 WeakPolarHBondContact O-CG2 3.47Å; N123-V126 PolarHBondContact O-N 2.89Å; T124-V126 PolarHBondContact O-N 3.27Å; V126-V128 PolarHBondContact O-N 3.17Å; V126-R129 PolarHBondContact O-N 2.83Å; V126-R129 VanDerWaalsContact O-N 3.07Å; V126-V156 WeakPolarHBondContact CA-O 3.33Å; V126-V156 HydrophobicContact CB-CB 4.06Å; V126-V156 HydrophobicContact CB-CG2 4.06Å; V126-V156 HydrophobicContact CG1-CB 4.38Å; V126-V156 HydrophobicContact CG1-CG2 3.95Å
127V94.1Very high97.2Very high41 Ų4131 Ų3125%0.24817%0.168CC..G310 helixtrans-62.8-25.4176.873.80000113.7A14 R17 T124 P125A14-V127 HydrophobicContact CB-CB 4.08Å; R17-V127 HydrophobicContact CB-CG2 4.19Å; R17-V127 HydrophobicContact CG-CG2 4.03Å; T124-V127 VanDerWaalsContact O-CG1 3.31Å; T124-V127 WeakPolarHBondContact O-CG1 3.5Å; T124-V127 PolarHBondContact O-N 3.25Å; T124-V127 VanDerWaalsContact O-N 3.17Å; P125-V127 PolarHBondContact O-N 2.97Å
128V94.5Very high97.1Very high101 Ų10131.4 Ų31.461%0.61217%0.172SC*.G310 helixtrans-111.913.4175.2-66.30000112.3P125 V126 E130P125-V128 WeakPolarHBondContact O-CG2 3.45Å; P125-V128 PolarHBondContact O-N 3.04Å; V126-V128 PolarHBondContact O-N 3.17Å; V128-E130 HydrophobicContact CG2-CB 4.23Å; V128-E130 HydrophobicContact CG2-CG 4.48Å; V128-E130 PolarHBondContact O-N 3Å
129R96.8Very high97.1Very high123 Ų12336.6 Ų36.646%0.46420%0.204SC..THydrogen-bonded Turntrans63.424.3-179.7-54.6172.258-150.7-7.1115P125 V126 S155 V156 G157P125-R129 PolarHBondContact O-N 3.33Å; V126-R129 PolarHBondContact O-N 2.83Å; V126-R129 VanDerWaalsContact O-N 3.07Å; R129-S155 PolarHBondContact NE-O 2.77Å; R129-V156 CarbonylContact C-O 3.5Å; R129-V156 VanDerWaalsContact CA-O 3.26Å; R129-V156 WeakPolarHBondContact CA-O 3.41Å; R129-G157 WeakPolarHBondContact O-CA 3.38Å
130E97.8Very high97.1Very high130 Ų13039 Ų3961%0.60722%0.215SC*.  trans-118.734.2175.5-63.7-68.6174.900109.9P125 V128P125-E130 VanDerWaalsContact CB-O 3.29Å; P125-E130 WeakPolarHBondContact CB-O 3.21Å; P125-E130 PolarHBondContact O-N 2.82Å; V128-E130 HydrophobicContact CG2-CB 4.23Å; V128-E130 HydrophobicContact CG2-CG 4.48Å; V128-E130 PolarHBondContact O-N 3Å
131G97.8Very high97Very high3 Ų339.8 Ų39.83%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-67.2157.9175.700000112.3N123 V156 G157 Y158N123-G131 VanDerWaalsContact OD1-CA 3.26Å; N123-G131 WeakPolarHBondContact OD1-CA 3.49Å; G131-V156 PolarHBondContact N-O 2.97Å; G131-G157 CarbonylContact O-C 3.55Å; G131-G157 VanDerWaalsContact O-CA 3.27Å; G131-G157 WeakPolarHBondContact O-CA 3.03Å; G131-Y158 PolarHBondContact O-N 3.44Å
132A98.5Very high97Very high26 Ų2643.7 Ų43.722%0.21524%0.24CC..EExtended strand (participates in β ladder)trans-120.7111.8167.100000108.1N123N123-A132 PolarHBondContact OD1-N 3.23Å
133T98.5Very high96.9Very high0 Ų047.9 Ų47.90%027%0.266CS..EExtended strand (participates in β ladder)trans-117.6137.5-175-53.70000110.1C120 M121 T122 M153 Y158 C159 T160C120-T133 WeakPolarHBondContact SG-CG2 3.21Å; M121-T133 CarbonylContact O-C 3.49Å; M121-T133 VanDerWaalsContact O-CA 3.24Å; M121-T133 WeakPolarHBondContact O-CA 3.4Å; T122-T133 WeakPolarHBondContact CB-OG1 3.17Å; T122-T133 PolarHBondContact OG1-OG1 2.86Å; T133-M153 HydrophobicContact CG2-CB 4.09Å; T133-M153 HydrophobicContact CG2-CE 3.57Å; T133-M153 HydrophobicContact CG2-CG 4.15Å; T133-M153 WeakPolarHBondContact OG1-CE 3.37Å; T133-Y158 WeakPolarHBondContact CB-O 3.42Å; T133-Y158 PolarHBondContact N-O 3.15Å; T133-C159 VanDerWaalsContact O-CA 3.31Å; T133-C159 WeakPolarHBondContact O-CA 3.45Å; T133-T160 PolarHBondContact O-N 3.32Å
134V98.5Very high96.9Very high10 Ų1053 Ų536%0.06129%0.289CS..EExtended strand (participates in β ladder)trans-124.2153.1161.5-58.10000109.4C120 M121 T160 V162 I167 V170C120-V134 WeakPolarHBondContact CA-O 3.23Å; M121-V134 HydrophobicContact CB-CG2 3.93Å; M121-V134 PolarHBondContact N-O 3.34Å; M121-V134 PolarHBondContact O-N 3.36Å; V134-T160 VanDerWaalsContact CA-O 3.29Å; V134-T160 WeakPolarHBondContact CA-O 3.28Å; V134-T160 HydrophobicContact CG1-CG2 4.02Å; V134-V162 HydrophobicContact CB-CG1 3.97Å; V134-V162 HydrophobicContact CB-CG2 3.7Å; V134-V162 HydrophobicContact CG1-CG1 3.89Å; V134-V162 HydrophobicContact CG1-CG2 4.45Å; V134-V162 HydrophobicContact CG2-CG2 3.86Å; V134-I167 HydrophobicContact CG2-CG1 4.18Å; V134-V170 HydrophobicContact CB-CG1 4.4Å; V134-V170 HydrophobicContact CG1-CG1 3.9Å; V134-V170 HydrophobicContact CG1-CG2 4.21Å; V134-V170 HydrophobicContact CG2-CB 3.99Å; V134-V170 HydrophobicContact CG2-CG1 3.59Å; V134-V170 HydrophobicContact CG2-CG2 4.09Å
135Y98.6Very high97.1Very high3 Ų350.8 Ų50.81%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-138.4155.3172.471-86.5000111.7M118 R119 T137 L149 E150 T160 E161 V162M118-Y135 HydrophobicContact SD-CD2 4.5Å; R119-Y135 CarbonylContact O-C 3.57Å; R119-Y135 WeakPolarHBondContact O-CA 3.44Å; Y135-T137 HydrophobicContact CD2-CG2 4.28Å; Y135-T137 HydrophobicContact CE2-CG2 3.97Å; Y135-L149 HydrophobicContact CD2-CD2 4.29Å; Y135-L149 HydrophobicContact CG-CD2 4.03Å; Y135-E150 HydrophobicContact CE1-CB 3.79Å; Y135-E150 HydrophobicContact CE1-CG 4.06Å; Y135-T160 PolarHBondContact N-O 3.41Å; Y135-T160 VanDerWaalsContact N-O 3.13Å; Y135-E161 HydrophobicContact CD2-CG 4.25Å; Y135-E161 HydrophobicContact CE1-CB 4.12Å; Y135-E161 HydrophobicContact CE2-CB 3.92Å; Y135-E161 HydrophobicContact CE2-CG 3.66Å; Y135-E161 CarbonylContact O-C 3.57Å; Y135-E161 WeakPolarHBondContact O-CA 3.4Å; Y135-E161 PolarHBondContact OH-OE2 3.04Å; Y135-V162 PolarHBondContact O-N 3.28Å
136A98.5Very high97.1Very high5 Ų549.5 Ų49.54%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-123.9140.116900000109.1I101 M118 R119 V162 E164 I167I101-A136 HydrophobicContact CD1-CB 3.94Å; M118-A136 WeakPolarHBondContact CA-O 3.3Å; R119-A136 PolarHBondContact N-O 3.43Å; R119-A136 PolarHBondContact O-N 3.33Å; A136-V162 WeakPolarHBondContact CB-O 3.49Å; A136-E164 HydrophobicContact CB-CB 3.86Å; A136-E164 HydrophobicContact CB-CG 4.19Å; A136-I167 HydrophobicContact CB-CD1 3.7Å
137T98.3Very high97.1Very high52 Ų5254.8 Ų54.832%0.31929%0.29SS..EExtended strand (participates in β ladder)trans-87136.1-179.756.60000111.3M118 Y135M118-T137 HydrophobicContact CE-CG2 4.23Å; Y135-T137 HydrophobicContact CD2-CG2 4.28Å; Y135-T137 HydrophobicContact CE2-CG2 3.97Å
138G97.6Very high97.3Very high9 Ų955.7 Ų55.79%0.09329%0.293CS..  trans-76.8175.6174.200000113.7E105 V117 H140 A141E105-G138 WeakPolarHBondContact OE1-CA 3.45Å; V117-G138 WeakPolarHBondContact O-CA 3.48Å; V117-G138 PolarHBondContact O-N 3.37Å; G138-H140 PolarHBondContact O-N 2.85Å; G138-A141 PolarHBondContact O-N 3.22Å
139T97.5Very high97.4Very high109 Ų10950.9 Ų50.967%0.66926%0.264SS*.THydrogen-bonded Turntrans-60.7-34.7-171.7-47.20000112.4E105E105-T139 PolarHBondContact OE1-N 2.96Å; E105-T139 PolarHBondContact OE1-OG1 3.27Å; E105-T139 WeakPolarHBondContact OE2-CB 3.45Å; E105-T139 PolarHBondContact OE2-OG1 3.44Å
140H97.3Very high97.5Very high57 Ų5748.6 Ų48.626%0.26426%0.258SS..THydrogen-bonded Turntrans-108.56.5-175.6-54.1-83000113.5Q109 S114 G138Q109-H140 PolarHBondContact NE2-NE2 3.16Å; S114-H140 PolarHBondContact OG-ND1 3.23Å; G138-H140 PolarHBondContact O-N 2.85Å
141A96.4Very high97.4Very high21 Ų2149.2 Ų49.217%0.17426%0.261CS..  trans-77.4136.3175.400000110.3M118 G138M118-A141 HydrophobicContact CE-CB 3.86Å; G138-A141 PolarHBondContact O-N 3.22Å
142E95.6Very high97.4Very high108 Ų10849.4 Ų49.451%0.50526%0.262SS..  trans-86.9161.6178-62.3172.9149.900110.7K116 E144 D145 G146K116-E142 IonicContact NZ-OE2 3.08Å; K116-E142 PolarHBondContact NZ-OE2 3.27Å; E142-E144 PolarHBondContact O-N 3.45Å; E142-D145 WeakPolarHBondContact CB-OD2 3.47Å; E142-D145 PolarHBondContact N-OD2 3.14Å; E142-D145 WeakPolarHBondContact O-CB 3.38Å; E142-D145 PolarHBondContact O-N 3.42Å; E142-G146 PolarHBondContact O-N 3.18Å
143V95.3Very high97.4Very high100 Ų10048.2 Ų48.261%0.60625%0.252SS*.Hα-helixtrans-60.3-34.7179.1176.30000111D145 G146 K147V143-D145 VanDerWaalsContact C-N 3.33Å; V143-G146 PolarHBondContact O-N 3.15Å; V143-K147 HydrophobicContact CG1-CD 4.47Å; V143-K147 WeakPolarHBondContact O-CG 3.31Å; V143-K147 PolarHBondContact O-N 3.01Å; V143-K147 VanDerWaalsContact O-N 3.13Å
144E96.7Very high97.3Very high120 Ų12050.8 Ų50.856%0.56127%0.273SS*.Hα-helixtrans-65.5-35.7176.2-66.468.6-151.200112E142 L148E142-E144 PolarHBondContact O-N 3.45Å; E144-L148 WeakPolarHBondContact O-CB 3.29Å; E144-L148 PolarHBondContact O-N 3.37Å
145D97.4Very high97.3Very high20 Ų2051 Ų5111%0.10728%0.275CS..Hα-helixtrans-65.8-42.9176.4-60.2-45.3000109.7L91 K116 M118 E142 V143 L148 L149L91-D145 HydrophobicContact CD1-CB 4.07Å; L91-D145 HydrophobicContact CD2-CB 4.18Å; K116-D145 WeakPolarHBondContact CD-OD2 3.26Å; K116-D145 WeakPolarHBondContact CE-OD2 3.14Å; K116-D145 IonicContact NZ-OD1 3.79Å; K116-D145 PolarHBondContact NZ-OD1 2.87Å; K116-D145 VanDerWaalsContact NZ-OD1 3.16Å; K116-D145 IonicContact NZ-OD2 2.71Å; K116-D145 PolarHBondContact NZ-OD2 3.02Å; M118-D145 HydrophobicContact CE-CB 3.42Å; M118-D145 VanDerWaalsContact CE-CB 3.42Å; E142-D145 WeakPolarHBondContact CB-OD2 3.47Å; E142-D145 PolarHBondContact N-OD2 3.14Å; E142-D145 WeakPolarHBondContact O-CB 3.38Å; E142-D145 PolarHBondContact O-N 3.42Å; V143-D145 VanDerWaalsContact C-N 3.33Å; D145-L148 WeakPolarHBondContact O-CB 3.26Å; D145-L148 PolarHBondContact O-N 3.15Å; D145-L149 PolarHBondContact O-N 2.79Å
146G97.3Very high97.2Very high2 Ų250.9 Ų50.92%0.02128%0.275CS..Hα-helixtrans-60.8-48.2178.400000111.5M118 E142 V143 L148 L149 E150M118-G146 VanDerWaalsContact CE-N 3.27Å; E142-G146 PolarHBondContact O-N 3.18Å; V143-G146 PolarHBondContact O-N 3.15Å; G146-L148 VanDerWaalsContact C-N 3.28Å; G146-L148 PolarHBondContact O-N 3.16Å; G146-L149 PolarHBondContact O-N 2.96Å; G146-E150 WeakPolarHBondContact O-CB 3.27Å; G146-E150 PolarHBondContact O-N 3.31Å
147K97.3Very high97.2Very high110 Ų11051.4 Ų51.448%0.47828%0.281SS..Hα-helixtrans-58.8-39174.5-71.3172.4-178.1167.90112.5V143 Q151V143-K147 HydrophobicContact CG1-CD 4.47Å; V143-K147 WeakPolarHBondContact O-CG 3.31Å; V143-K147 PolarHBondContact O-N 3.01Å; V143-K147 VanDerWaalsContact O-N 3.13Å; K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 VanDerWaalsContact O-CG 3.23Å; K147-Q151 WeakPolarHBondContact O-CG 3.16Å; K147-Q151 PolarHBondContact O-N 2.82Å
148L97.1Very high97.2Very high60 Ų6056 Ų5631%0.31429%0.293SS..Hα-helixtrans-62.9-47.5177.1179.264.9000111.1M1 V65 E144 D145 G146 L152M1-L148 HydrophobicContact SD-CD1 3.69Å; M1-L148 HydrophobicContact SD-CD2 4.11Å; M1-L148 HydrophobicContact SD-CG 4.17Å; V65-L148 HydrophobicContact CG2-CD2 4.1Å; E144-L148 WeakPolarHBondContact O-CB 3.29Å; E144-L148 PolarHBondContact O-N 3.37Å; D145-L148 WeakPolarHBondContact O-CB 3.26Å; D145-L148 PolarHBondContact O-N 3.15Å; G146-L148 VanDerWaalsContact C-N 3.28Å; G146-L148 PolarHBondContact O-N 3.16Å; L148-L152 WeakPolarHBondContact O-CB 3.44Å; L148-L152 PolarHBondContact O-N 2.8Å
149L97.4Very high97.2Very high1 Ų156.2 Ų56.21%0.00529%0.293CS..Hα-helixtrans-65.2-44.1178.6-177.760.9000111.3F67 V93 M118 Y135 D145 G146 Q151 L152 M153F67-L149 HydrophobicContact CE1-CD1 4.3Å; F67-L149 HydrophobicContact CZ-CD1 4.09Å; V93-L149 HydrophobicContact CG1-CD1 4.09Å; V93-L149 HydrophobicContact CG1-CD2 3.97Å; V93-L149 HydrophobicContact CG2-CD1 4Å; V93-L149 HydrophobicContact CG2-CD2 4.24Å; M118-L149 HydrophobicContact CB-CD2 4.04Å; M118-L149 HydrophobicContact CG-CD2 4.39Å; M118-L149 HydrophobicContact SD-CB 3.86Å; M118-L149 HydrophobicContact SD-CD2 3.41Å; M118-L149 WeakPolarHBondContact SD-CD2 3.41Å; M118-L149 HydrophobicContact SD-CG 4.26Å; Y135-L149 HydrophobicContact CD2-CD2 4.29Å; Y135-L149 HydrophobicContact CG-CD2 4.03Å; D145-L149 PolarHBondContact O-N 2.79Å; G146-L149 PolarHBondContact O-N 2.96Å; L149-Q151 PolarHBondContact O-N 2.74Å; L149-L152 PolarHBondContact O-N 2.9Å; L149-M153 HydrophobicContact CD1-CG 3.71Å; L149-M153 HydrophobicContact CD1-SD 4.41Å; L149-M153 HydrophobicContact CG-CG 4.14Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.82Å
150E97.9Very high97.3Very high74 Ų7453 Ų5335%0.34627%0.273SS..Hα-helixtrans-58.9-48.7177.9-169.7-178.9-171.200111.2Y135 G146 L152 M153 A154 C159Y135-E150 HydrophobicContact CE1-CB 3.79Å; Y135-E150 HydrophobicContact CE1-CG 4.06Å; G146-E150 WeakPolarHBondContact O-CB 3.27Å; G146-E150 PolarHBondContact O-N 3.31Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 2.88Å; E150-M153 PolarHBondContact O-N 3.24Å; E150-A154 WeakPolarHBondContact O-CB 3.32Å; E150-A154 PolarHBondContact O-N 2.96Å; E150-C159 HydrophobicContact CG-CB 4.4Å
151Q96.9Very high97.3Very high143 Ų14355 Ų5567%0.66828%0.283SS*.Hα-helixtrans-60.3-41.8176.5-74.9176.57.700112.4K147 L149 S155K147-Q151 WeakPolarHBondContact O-CB 3.24Å; K147-Q151 VanDerWaalsContact O-CG 3.23Å; K147-Q151 WeakPolarHBondContact O-CG 3.16Å; K147-Q151 PolarHBondContact O-N 2.82Å; L149-Q151 PolarHBondContact O-N 2.74Å; Q151-S155 PolarHBondContact O-N 3.03Å
152L96.8Very high97.4Very high8 Ų855.4 Ų55.44%0.04228%0.283CS..Hα-helixtrans-64-49.4178.417858.4000111M1 F19 V24 I25 F67 L148 L149 E150 S155M1-L152 HydrophobicContact CE-CD1 4.44Å; F19-L152 HydrophobicContact CD1-CD1 3.77Å; F19-L152 HydrophobicContact CD1-CG 4.42Å; F19-L152 HydrophobicContact CD2-CD1 4.41Å; F19-L152 HydrophobicContact CE1-CD1 3.6Å; F19-L152 HydrophobicContact CE1-CG 3.73Å; F19-L152 WeakPolarHBondContact CE1-O 3.48Å; F19-L152 HydrophobicContact CE2-CD1 4.21Å; F19-L152 HydrophobicContact CE2-CD2 4.35Å; F19-L152 HydrophobicContact CE2-CG 4.31Å; F19-L152 HydrophobicContact CG-CD1 4.21Å; F19-L152 HydrophobicContact CZ-CD1 3.83Å; F19-L152 HydrophobicContact CZ-CD2 4.07Å; F19-L152 HydrophobicContact CZ-CG 3.66Å; V24-L152 HydrophobicContact CG2-CD1 4.1Å; I25-L152 HydrophobicContact CD1-CD1 3.48Å; I25-L152 VanDerWaalsContact CD1-CD1 3.48Å; I25-L152 HydrophobicContact CD1-CD2 4.49Å; I25-L152 HydrophobicContact CG1-CD1 4.31Å; F67-L152 HydrophobicContact CE2-CD2 4Å; F67-L152 HydrophobicContact CZ-CD2 3.95Å; L148-L152 WeakPolarHBondContact O-CB 3.44Å; L148-L152 PolarHBondContact O-N 2.8Å; L149-L152 PolarHBondContact O-N 2.9Å; E150-L152 VanDerWaalsContact C-N 3.32Å; E150-L152 PolarHBondContact O-N 2.88Å; L152-S155 WeakPolarHBondContact O-CB 3.23Å; L152-S155 PolarHBondContact O-N 2.76Å; L152-S155 PolarHBondContact O-OG 2.69Å
153M97.9Very high97.5Very high0 Ų057.1 Ų57.10%029%0.291CS..Hα-helixtrans-74-30.3-177.1-65.3-56.3-67.900112.7L15 F19 F67 T122 T133 L149 E150 S155 V156 G157 C159L15-M153 HydrophobicContact CD2-CE 3.72Å; L15-M153 HydrophobicContact CD2-SD 4.23Å; F19-M153 HydrophobicContact CE1-SD 4.25Å; F19-M153 HydrophobicContact CZ-SD 3.79Å; F67-M153 HydrophobicContact CE1-SD 4.11Å; F67-M153 HydrophobicContact CZ-SD 4.12Å; T122-M153 HydrophobicContact CG2-CE 4.18Å; T133-M153 HydrophobicContact CG2-CB 4.09Å; T133-M153 HydrophobicContact CG2-CE 3.57Å; T133-M153 HydrophobicContact CG2-CG 4.15Å; T133-M153 WeakPolarHBondContact OG1-CE 3.37Å; L149-M153 HydrophobicContact CD1-CG 3.71Å; L149-M153 HydrophobicContact CD1-SD 4.41Å; L149-M153 HydrophobicContact CG-CG 4.14Å; L149-M153 WeakPolarHBondContact O-CB 3.44Å; L149-M153 VanDerWaalsContact O-CG 3.3Å; L149-M153 WeakPolarHBondContact O-CG 3.5Å; L149-M153 PolarHBondContact O-N 2.82Å; E150-M153 PolarHBondContact O-N 3.24Å; M153-S155 PolarHBondContact O-N 3.44Å; M153-V156 HydrophobicContact CE-CG2 4.45Å; M153-V156 WeakPolarHBondContact O-CG2 3.41Å; M153-V156 PolarHBondContact O-N 3.37Å; M153-G157 PolarHBondContact O-N 3.31Å; M153-C159 HydrophobicContact CB-CB 3.96Å; M153-C159 VanDerWaalsContact CB-SG 3.53Å
154A97.8Very high97.6Very high54 Ų5454.8 Ų54.845%0.44627%0.273SS..Hα-helixtrans-62.5-23.6173.100000112.7E150 V156 G157 C159E150-A154 WeakPolarHBondContact O-CB 3.32Å; E150-A154 PolarHBondContact O-N 2.96Å; A154-V156 PolarHBondContact O-N 2.86Å; A154-G157 CarbonylContact C-O 3.59Å; A154-G157 VanDerWaalsContact CA-O 3.27Å; A154-G157 WeakPolarHBondContact CA-O 3.48Å; A154-G157 VanDerWaalsContact O-O 3.13Å; A154-C159 HydrophobicContact CB-CB 4.41Å
155S97.2Very high97.6Very high16 Ų1654.6 Ų54.611%0.11228%0.276CS..THydrogen-bonded Turntrans-66.9-20.3175.178.60000113.6A22 V24 R129 Q151 L152 M153A22-S155 WeakPolarHBondContact CB-O 3.39Å; V24-S155 VanDerWaalsContact CG1-CB 3.5Å; R129-S155 PolarHBondContact NE-O 2.77Å; Q151-S155 PolarHBondContact O-N 3.03Å; L152-S155 WeakPolarHBondContact O-CB 3.23Å; L152-S155 PolarHBondContact O-N 2.76Å; L152-S155 PolarHBondContact O-OG 2.69Å; M153-S155 PolarHBondContact O-N 3.44Å
156V97.5Very high97.7Very high0 Ų057.8 Ų57.80%029%0.293CS..THydrogen-bonded Turntrans-118.611.5-176.8-61.50000113.8L15 F19 V126 R129 G131 M153 A154L15-V156 HydrophobicContact CD2-CG2 4.28Å; F19-V156 HydrophobicContact CD1-CG1 3.5Å; F19-V156 HydrophobicContact CD1-CG2 4.42Å; F19-V156 HydrophobicContact CE1-CG1 3.79Å; F19-V156 HydrophobicContact CE1-CG2 3.84Å; F19-V156 HydrophobicContact CG-CG1 4.46Å; V126-V156 WeakPolarHBondContact CA-O 3.33Å; V126-V156 HydrophobicContact CB-CB 4.06Å; V126-V156 HydrophobicContact CB-CG2 4.06Å; V126-V156 HydrophobicContact CG1-CB 4.38Å; V126-V156 HydrophobicContact CG1-CG2 3.95Å; R129-V156 CarbonylContact C-O 3.5Å; R129-V156 VanDerWaalsContact CA-O 3.26Å; R129-V156 WeakPolarHBondContact CA-O 3.41Å; G131-V156 PolarHBondContact N-O 2.97Å; M153-V156 HydrophobicContact CE-CG2 4.45Å; M153-V156 WeakPolarHBondContact O-CG2 3.41Å; M153-V156 PolarHBondContact O-N 3.37Å; A154-V156 PolarHBondContact O-N 2.86Å
157G97.8Very high97.7Very high16 Ų1657.8 Ų57.817%0.16529%0.292CS..EExtended strand (participates in β ladder)trans152.1-161.5174.200000113.1R129 G131 M153 A154R129-G157 WeakPolarHBondContact O-CA 3.38Å; G131-G157 CarbonylContact O-C 3.55Å; G131-G157 VanDerWaalsContact O-CA 3.27Å; G131-G157 WeakPolarHBondContact O-CA 3.03Å; M153-G157 PolarHBondContact O-N 3.31Å; A154-G157 CarbonylContact C-O 3.59Å; A154-G157 VanDerWaalsContact CA-O 3.27Å; A154-G157 WeakPolarHBondContact CA-O 3.48Å; A154-G157 VanDerWaalsContact O-O 3.13Å
158Y98.3Very high97.6Very high149 Ų14953 Ų5358%0.58427%0.272SS*.EExtended strand (participates in β ladder)trans-67.8136.8170.2177.2-99.8000110.4G131 T133 T160G131-Y158 PolarHBondContact O-N 3.44Å; T133-Y158 WeakPolarHBondContact CB-O 3.42Å; T133-Y158 PolarHBondContact N-O 3.15Å; Y158-T160 HydrophobicContact CE1-CG2 3.56Å; Y158-T160 WeakPolarHBondContact OH-CG2 3.22Å
159C98.5Very high97.6Very high13 Ų1352.2 Ų52.29%0.08827%0.274CS..EExtended strand (participates in β ladder)trans-140.4138.2173.2-165.60000109.8T133 E150 M153 A154T133-C159 VanDerWaalsContact O-CA 3.31Å; T133-C159 WeakPolarHBondContact O-CA 3.45Å; E150-C159 HydrophobicContact CG-CB 4.4Å; M153-C159 HydrophobicContact CB-CB 3.96Å; M153-C159 VanDerWaalsContact CB-SG 3.53Å; A154-C159 HydrophobicContact CB-CB 4.41Å
160T98.4Very high97.6Very high41 Ų4153.5 Ų53.525%0.25228%0.282SS..EExtended strand (participates in β ladder)trans-151.4151.9172.7-172.60000110T133 V134 Y135 Y158 V162T133-T160 PolarHBondContact O-N 3.32Å; V134-T160 VanDerWaalsContact CA-O 3.29Å; V134-T160 WeakPolarHBondContact CA-O 3.28Å; V134-T160 HydrophobicContact CG1-CG2 4.02Å; Y135-T160 PolarHBondContact N-O 3.41Å; Y135-T160 VanDerWaalsContact N-O 3.13Å; Y158-T160 HydrophobicContact CE1-CG2 3.56Å; Y158-T160 WeakPolarHBondContact OH-CG2 3.22Å; T160-V162 HydrophobicContact CG2-CG1 4.1Å
161E98.6Very high97.5Very high99 Ų9950.5 Ų50.546%0.46327%0.269SS..EExtended strand (participates in β ladder)trans-72.2144.5166.9-160.7166.2155.600110.8Y135Y135-E161 HydrophobicContact CD2-CG 4.25Å; Y135-E161 HydrophobicContact CE1-CB 4.12Å; Y135-E161 HydrophobicContact CE2-CB 3.92Å; Y135-E161 HydrophobicContact CE2-CG 3.66Å; Y135-E161 CarbonylContact O-C 3.57Å; Y135-E161 WeakPolarHBondContact O-CA 3.4Å; Y135-E161 PolarHBondContact OH-OE2 3.04Å
162V98.4Very high97.5Very high30 Ų3043.7 Ų43.718%0.18224%0.237CC..  trans-144.4160173.4-60.30000110V134 Y135 A136 T160 I167V134-V162 HydrophobicContact CB-CG1 3.97Å; V134-V162 HydrophobicContact CB-CG2 3.7Å; V134-V162 HydrophobicContact CG1-CG1 3.89Å; V134-V162 HydrophobicContact CG1-CG2 4.45Å; V134-V162 HydrophobicContact CG2-CG2 3.86Å; Y135-V162 PolarHBondContact O-N 3.28Å; A136-V162 WeakPolarHBondContact CB-O 3.49Å; T160-V162 HydrophobicContact CG2-CG1 4.1Å; V162-I167 HydrophobicContact CG2-CD1 4.4Å; V162-I167 HydrophobicContact CG2-CG1 3.8Å
163E97.8Very high97.5Very high144 Ų14448.7 Ų48.767%0.67326%0.263SS*.  trans-62.3141.9165.8-63.4-59.1147.700111D165 L166E163-D165 VanDerWaalsContact CB-OD1 3.23Å; E163-D165 WeakPolarHBondContact CB-OD1 3.44Å; E163-D165 PolarHBondContact O-N 3.06Å; E163-L166 HydrophobicContact CB-CG 4.45Å; E163-L166 PolarHBondContact O-N 3.15Å; E163-L166 VanDerWaalsContact O-N 3.13Å
164E97.7Very high97.5Very high50 Ų5049.8 Ų49.823%0.23427%0.271CS..G310 helixtrans-60.3-32.7-173.4-164.3-169.4174.800112.6T100 I101 R119 A136 L166 I167T100-E164 WeakPolarHBondContact CA-OE1 3.48Å; T100-E164 WeakPolarHBondContact CB-OE1 3.39Å; I101-E164 HydrophobicContact CD1-CG 4.15Å; I101-E164 HydrophobicContact CG1-CG 4.39Å; I101-E164 PolarHBondContact N-OE1 3.37Å; R119-E164 VanDerWaalsContact CD-OE1 3.23Å; R119-E164 WeakPolarHBondContact CD-OE1 3.41Å; R119-E164 IonicContact CZ-OE1 3.26Å; R119-E164 IonicContact NH1-OE1 2.73Å; R119-E164 PolarHBondContact NH1-OE1 3.49Å; A136-E164 HydrophobicContact CB-CB 3.86Å; A136-E164 HydrophobicContact CB-CG 4.19Å; E164-L166 PolarHBondContact O-N 3.36Å; E164-I167 HydrophobicContact CG-CD1 4.25Å; E164-I167 WeakPolarHBondContact O-CB 3.39Å; E164-I167 PolarHBondContact O-N 2.84Å; E164-I167 VanDerWaalsContact O-N 3.11Å
165D96.5Very high97.4Very high116 Ų11648.1 Ų48.162%0.6226%0.259SS*.G310 helixtrans-66.4-20.7-178.768.8-18.6000113.6E163E163-D165 VanDerWaalsContact CB-OD1 3.23Å; E163-D165 WeakPolarHBondContact CB-OD1 3.44Å; E163-D165 PolarHBondContact O-N 3.06Å
166L97.7Very high97.4Very high88 Ų8849.1 Ų49.146%0.46127%0.266SS..G310 helixtrans-81.5-20.1175.2-59.8-178.2000112.8E163 E164 D168 A169 V170E163-L166 HydrophobicContact CB-CG 4.45Å; E163-L166 PolarHBondContact O-N 3.15Å; E163-L166 VanDerWaalsContact O-N 3.13Å; E164-L166 PolarHBondContact O-N 3.36Å; L166-D168 VanDerWaalsContact C-N 3.26Å; L166-D168 PolarHBondContact O-N 3.23Å; L166-A169 WeakPolarHBondContact O-CB 3.37Å; L166-A169 PolarHBondContact O-N 3.43Å; L166-V170 WeakPolarHBondContact O-CG2 3.43Å; L166-V170 PolarHBondContact O-N 3.26Å
167I97.6Very high97.4Very high1 Ų150 Ų501%0.00527%0.274CS..Hα-helixtrans-61.1-33.6-171.7-67.7-176.1000112.4R119 M121 V134 A136 V162 E164 V170 T171R119-I167 HydrophobicContact CB-CD1 4.19Å; R119-I167 HydrophobicContact CG-CD1 3.87Å; M121-I167 HydrophobicContact CB-CG2 3.72Å; M121-I167 HydrophobicContact CG-CG2 4.22Å; V134-I167 HydrophobicContact CG2-CG1 4.18Å; A136-I167 HydrophobicContact CB-CD1 3.7Å; V162-I167 HydrophobicContact CG2-CD1 4.4Å; V162-I167 HydrophobicContact CG2-CG1 3.8Å; E164-I167 HydrophobicContact CG-CD1 4.25Å; E164-I167 WeakPolarHBondContact O-CB 3.39Å; E164-I167 PolarHBondContact O-N 2.84Å; E164-I167 VanDerWaalsContact O-N 3.11Å; I167-V170 PolarHBondContact O-N 3.33Å; I167-T171 PolarHBondContact O-N 3.25Å; I167-T171 PolarHBondContact O-OG1 3.31Å
168D94.9Very high97.4Very high11 Ų1150 Ų506%0.05927%0.271CS..Hα-helixtrans-67.4-37.8177.4-65.5-14.4000111.8R119 L166 T171 G172 T265 R266R119-D168 IonicContact CZ-OD1 2.75Å; R119-D168 IonicContact NH2-OD1 3.16Å; R119-D168 PolarHBondContact NH2-OD1 3.02Å; L166-D168 VanDerWaalsContact C-N 3.26Å; L166-D168 PolarHBondContact O-N 3.23Å; D168-T171 WeakPolarHBondContact O-CB 3.39Å; D168-T171 PolarHBondContact O-N 2.94Å; D168-G172 PolarHBondContact O-N 2.68Å; D168-T265 HydrophobicContact CB-CG2 4.33Å; D168-R266 HydrophobicContact CB-CG 4.22Å; D168-R266 VanDerWaalsContact OD2-CG 3.27Å; D168-R266 WeakPolarHBondContact OD2-CG 3.24Å; D168-R266 IonicContact OD2-NE 2.86Å
169A97.7Very high97.4Very high43 Ų4345.7 Ų45.736%0.35527%0.267SS..Hα-helixtrans-68.8-41.1174.600000111L166 T171 G172 L173L166-A169 WeakPolarHBondContact O-CB 3.37Å; L166-A169 PolarHBondContact O-N 3.43Å; A169-T171 VanDerWaalsContact C-N 3.27Å; A169-T171 PolarHBondContact O-N 3.39Å; A169-G172 PolarHBondContact O-N 3.17Å; A169-G172 VanDerWaalsContact O-N 3.08Å; A169-L173 PolarHBondContact O-N 3.4Å; A169-L173 VanDerWaalsContact O-N 3.11Å
170V97.7Very high97.4Very high28 Ų2848 Ų4817%0.1727%0.274CS..Hα-helixtrans-59.9-39.5174.2176.50000111.2M121 V134 L166 I167 G172 L173 S174 G175M121-V170 HydrophobicContact SD-CG1 4.34Å; V134-V170 HydrophobicContact CB-CG1 4.4Å; V134-V170 HydrophobicContact CG1-CG1 3.9Å; V134-V170 HydrophobicContact CG1-CG2 4.21Å; V134-V170 HydrophobicContact CG2-CB 3.99Å; V134-V170 HydrophobicContact CG2-CG1 3.59Å; V134-V170 HydrophobicContact CG2-CG2 4.09Å; L166-V170 WeakPolarHBondContact O-CG2 3.43Å; L166-V170 PolarHBondContact O-N 3.26Å; I167-V170 PolarHBondContact O-N 3.33Å; V170-G172 VanDerWaalsContact C-N 3.27Å; V170-G172 PolarHBondContact O-N 2.74Å; V170-L173 CarbonylContact O-C 3.37Å; V170-L173 PolarHBondContact O-N 3.03Å; V170-L173 VanDerWaalsContact O-N 3.08Å; V170-S174 WeakPolarHBondContact CG1-OG 3.29Å; V170-S174 PolarHBondContact O-N 3.3Å; V170-S174 PolarHBondContact O-OG 2.68Å; V170-G175 PolarHBondContact O-N 3.42Å
171T95.1Very high97.4Very high10 Ų1048 Ų486%0.06128%0.278CS..Iπ-helixtrans-56.4-43.1174.4-57.90000111.4M121 I167 D168 A169 L173 G175 S176 T265M121-T171 HydrophobicContact CE-CG2 4.22Å; M121-T171 VanDerWaalsContact CG-OG1 3.31Å; M121-T171 WeakPolarHBondContact CG-OG1 3.38Å; I167-T171 PolarHBondContact O-N 3.25Å; I167-T171 PolarHBondContact O-OG1 3.31Å; D168-T171 WeakPolarHBondContact O-CB 3.39Å; D168-T171 PolarHBondContact O-N 2.94Å; A169-T171 VanDerWaalsContact C-N 3.27Å; A169-T171 PolarHBondContact O-N 3.39Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.23Å; T171-G175 CarbonylContact O-C 3.58Å; T171-G175 VanDerWaalsContact O-CA 3.31Å; T171-G175 WeakPolarHBondContact O-CA 3.41Å; T171-G175 PolarHBondContact O-N 3.19Å; T171-S176 PolarHBondContact O-N 2.86Å; T171-T265 HydrophobicContact CG2-CG2 4.26Å; T171-T265 WeakPolarHBondContact CG2-OG1 3.46Å
172G97.1Very high97.4Very high0 Ų049.9 Ų49.90%029%0.285CS..Iπ-helixtrans-67.9-30176.800000114.5D168 A169 V170 Y180 S261D168-G172 PolarHBondContact O-N 2.68Å; A169-G172 PolarHBondContact O-N 3.17Å; A169-G172 VanDerWaalsContact O-N 3.08Å; V170-G172 VanDerWaalsContact C-N 3.27Å; V170-G172 PolarHBondContact O-N 2.74Å; G172-Y180 WeakPolarHBondContact O-CE2 3.04Å; G172-Y180 PolarHBondContact O-OH 3.42Å; G172-S261 WeakPolarHBondContact CA-OG 3.45Å
173L98.4Very high97.4Very high113 Ų11354.6 Ų54.659%0.59231%0.309SS*.Iπ-helixtrans-90.7-71.6-178.9-176.865.1000112.6A169 V170 T171 G177 V258A169-L173 PolarHBondContact O-N 3.4Å; A169-L173 VanDerWaalsContact O-N 3.11Å; V170-L173 CarbonylContact O-C 3.37Å; V170-L173 PolarHBondContact O-N 3.03Å; V170-L173 VanDerWaalsContact O-N 3.08Å; T171-L173 VanDerWaalsContact C-N 3.34Å; T171-L173 PolarHBondContact O-N 3.23Å; L173-G177 WeakPolarHBondContact O-CA 3.28Å; L173-G177 PolarHBondContact O-N 3.42Å; L173-V258 HydrophobicContact CD1-CG2 4.2Å
174S97.3Very high97.4Very high24 Ų2449.4 Ų49.417%0.16829%0.291CS..Iπ-helixtrans-87.6-25.7-172.866.80000112.8N123 V170 P178N123-S174 VanDerWaalsContact CB-O 3.32Å; N123-S174 WeakPolarHBondContact CB-O 3.31Å; N123-S174 PolarHBondContact ND2-O 3Å; V170-S174 WeakPolarHBondContact CG1-OG 3.29Å; V170-S174 PolarHBondContact O-N 3.3Å; V170-S174 PolarHBondContact O-OG 2.68Å; S174-P178 VanDerWaalsContact O-CD 3.23Å; S174-P178 WeakPolarHBondContact O-CD 3.34Å
175G95.2Very high97.5Very high19 Ų1948.1 Ų48.120%0.19629%0.286CS..Iπ-helixtrans-68.5-57.7177.200000113V170 T171 P178V170-G175 PolarHBondContact O-N 3.42Å; T171-G175 CarbonylContact O-C 3.58Å; T171-G175 VanDerWaalsContact O-CA 3.31Å; T171-G175 WeakPolarHBondContact O-CA 3.41Å; T171-G175 PolarHBondContact O-N 3.19Å; G175-P178 WeakPolarHBondContact O-CD 3.38Å
176S96.6Very high97.6Very high37 Ų3746.9 Ų46.926%0.25928%0.279SS..THydrogen-bonded Turntrans-81.3-18.1176.4-65.70000113.2T171 P178 A179 Y180 S261T171-S176 PolarHBondContact O-N 2.86Å; S176-P178 VanDerWaalsContact C-CD 3.5Å; S176-A179 WeakPolarHBondContact O-CB 3.39Å; S176-A179 PolarHBondContact O-N 2.87Å; S176-Y180 VanDerWaalsContact CB-CZ 3.46Å; S176-Y180 WeakPolarHBondContact CB-OH 3.39Å; S176-S261 PolarHBondContact OG-OG 3.46Å
177G97.9Very high97.6Very high17 Ų1745.5 Ų45.518%0.17528%0.281CS..Hα-helixtrans-45.1-46.5-179.200000116.4L173 A179 Y180 A181L173-G177 WeakPolarHBondContact O-CA 3.28Å; L173-G177 PolarHBondContact O-N 3.42Å; G177-A179 PolarHBondContact O-N 2.68Å; G177-Y180 WeakPolarHBondContact O-CB 3.39Å; G177-Y180 PolarHBondContact O-N 3.23Å; G177-A181 PolarHBondContact O-N 3Å
178P97.8Very high97.7Very high16 Ų1649.4 Ų49.410%0.10430%0.301CS..Hα-helixtrans-57.1-35.9177.3-28.336000113.4N123 P125 S174 G175 S176 Y180 A181 F182N123-P178 HydrophobicContact CB-CG 4.07Å; P125-P178 HydrophobicContact CG-CB 4.12Å; P125-P178 HydrophobicContact CG-CG 3.69Å; S174-P178 VanDerWaalsContact O-CD 3.23Å; S174-P178 WeakPolarHBondContact O-CD 3.34Å; G175-P178 WeakPolarHBondContact O-CD 3.38Å; S176-P178 VanDerWaalsContact C-CD 3.5Å; P178-Y180 VanDerWaalsContact C-N 3.35Å; P178-A181 PolarHBondContact O-N 3.46Å; P178-F182 HydrophobicContact CB-CE2 4.12Å; P178-F182 WeakPolarHBondContact O-CD2 3.18Å; P178-F182 VanDerWaalsContact O-CG 3.27Å; P178-F182 WeakPolarHBondContact O-CG 3.37Å; P178-F182 PolarHBondContact O-N 3.02Å
179A98.1Very high97.9Very high60 Ų6048.9 Ų48.950%0.49630%0.298SS..Hα-helixtrans-66.8-37.8176.900000111.8S176 G177 A181 F182 L183S176-A179 WeakPolarHBondContact O-CB 3.39Å; S176-A179 PolarHBondContact O-N 2.87Å; G177-A179 PolarHBondContact O-N 2.68Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A179-F182 PolarHBondContact O-N 2.76Å; A179-L183 PolarHBondContact O-N 3.26Å
180Y98.6Very high97.9Very high61 Ų6150.6 Ų50.624%0.23930%0.301CS..Hα-helixtrans-63.3-42.7174.5-46.2-28.7000110.7G172 S176 G177 P178 L183 A184 A257 V258G172-Y180 WeakPolarHBondContact O-CE2 3.04Å; G172-Y180 PolarHBondContact O-OH 3.42Å; S176-Y180 VanDerWaalsContact CB-CZ 3.46Å; S176-Y180 WeakPolarHBondContact CB-OH 3.39Å; G177-Y180 WeakPolarHBondContact O-CB 3.39Å; G177-Y180 PolarHBondContact O-N 3.23Å; P178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-L183 PolarHBondContact O-N 2.95Å; Y180-A184 WeakPolarHBondContact O-CB 3.27Å; Y180-A184 PolarHBondContact O-N 3.48Å; Y180-A257 HydrophobicContact CE1-CB 4.17Å; Y180-A257 PolarHBondContact OH-O 3.5Å; Y180-V258 HydrophobicContact CE2-CG2 4.35Å
181A98.6Very high98Very high40 Ų4050.8 Ų50.833%0.33131%0.31SS..Hα-helixtrans-64.4-42.917700000112.2G177 P178 A179 A184 V185G177-A181 PolarHBondContact O-N 3Å; P178-A181 PolarHBondContact O-N 3.46Å; A179-A181 VanDerWaalsContact C-N 3.33Å; A181-A184 PolarHBondContact O-N 3.08Å; A181-V185 WeakPolarHBondContact O-CG2 3.48Å; A181-V185 PolarHBondContact O-N 3.35Å
182F98.5Very high98.2Very high140 Ų14051 Ų5161%0.61431%0.314SS*.Hα-helixtrans-62.9-43.1176.7-64.8-42.8000112.2P178 A179 A184 V185 D186P178-F182 HydrophobicContact CB-CE2 4.12Å; P178-F182 WeakPolarHBondContact O-CD2 3.18Å; P178-F182 VanDerWaalsContact O-CG 3.27Å; P178-F182 WeakPolarHBondContact O-CG 3.37Å; P178-F182 PolarHBondContact O-N 3.02Å; A179-F182 PolarHBondContact O-N 2.76Å; F182-A184 VanDerWaalsContact C-N 3.31Å; F182-A184 PolarHBondContact O-N 2.86Å; F182-V185 PolarHBondContact O-N 2.97Å; F182-D186 PolarHBondContact O-N 3.13Å
183L98.7Very high98.2Very high128 Ų12853.6 Ų53.667%0.6733%0.329SS*.Hα-helixtrans-60-42.9174.5-178.963000111.4A179 Y180 D186 A187A179-L183 PolarHBondContact O-N 3.26Å; Y180-L183 PolarHBondContact O-N 2.95Å; L183-D186 PolarHBondContact O-N 2.9Å; L183-A187 WeakPolarHBondContact O-CB 3.23Å; L183-A187 PolarHBondContact O-N 3.35Å
184A98.6Very high98.3Very high36 Ų3657 Ų5730%0.29834%0.34SS..Hα-helixtrans-64.7-43.6177.800000112.4Y180 A181 F182 D186 A187 L188Y180-A184 WeakPolarHBondContact O-CB 3.27Å; Y180-A184 PolarHBondContact O-N 3.48Å; A181-A184 PolarHBondContact O-N 3.08Å; F182-A184 VanDerWaalsContact C-N 3.31Å; F182-A184 PolarHBondContact O-N 2.86Å; A184-D186 VanDerWaalsContact C-N 3.33Å; A184-D186 PolarHBondContact O-N 3.42Å; A184-A187 PolarHBondContact O-N 2.99Å; A184-L188 WeakPolarHBondContact O-CB 3.03Å; A184-L188 WeakPolarHBondContact O-CG 3.31Å; A184-L188 PolarHBondContact O-N 3.13Å
185V98.7Very high98.3Very high22 Ų2263.5 Ų63.513%0.13337%0.369CS..Hα-helixtrans-62.6-40.9177.2171.90000111.3A181 F182 L188 A189 V203 A207 L210A181-V185 WeakPolarHBondContact O-CG2 3.48Å; A181-V185 PolarHBondContact O-N 3.35Å; F182-V185 PolarHBondContact O-N 2.97Å; V185-L188 PolarHBondContact O-N 3.48Å; V185-A189 WeakPolarHBondContact O-CB 3.31Å; V185-A189 PolarHBondContact O-N 2.88Å; V185-V203 HydrophobicContact CG1-CG1 4.43Å; V185-A207 HydrophobicContact CG1-CB 4.32Å; V185-L210 HydrophobicContact CG2-CD2 3.8Å
186D98.8Very high98.5Very high90 Ų9065.7 Ų65.748%0.48139%0.391SS..Hα-helixtrans-65.3-45.3178.8-161.932000111.3F182 L183 A184 L188 A189 D190F182-D186 PolarHBondContact O-N 3.13Å; L183-D186 PolarHBondContact O-N 2.9Å; A184-D186 VanDerWaalsContact C-N 3.33Å; A184-D186 PolarHBondContact O-N 3.42Å; D186-L188 PolarHBondContact O-N 3.33Å; D186-A189 WeakPolarHBondContact O-CB 3.35Å; D186-A189 PolarHBondContact O-N 2.9Å; D186-A189 VanDerWaalsContact O-N 3.17Å; D186-D190 PolarHBondContact O-N 3.46Å
187A98.8Very high98.6Very high59 Ų5967.2 Ų67.249%0.48840%0.396SS..Hα-helixtrans-64.2-39.8175.500000113L183 A184 A189 D190 G191L183-A187 WeakPolarHBondContact O-CB 3.23Å; L183-A187 PolarHBondContact O-N 3.35Å; A184-A187 PolarHBondContact O-N 2.99Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-D190 WeakPolarHBondContact O-CB 3.37Å; A187-D190 PolarHBondContact O-N 3.26Å; A187-G191 PolarHBondContact O-N 3.45Å
188L98.8Very high98.6Very high83 Ų8370.5 Ų70.544%0.43542%0.415SS..Hα-helixtrans-64.2-38.5173.5-74.6169.2000111.2A184 V185 D186 G191 G192 L210A184-L188 WeakPolarHBondContact O-CB 3.03Å; A184-L188 WeakPolarHBondContact O-CG 3.31Å; A184-L188 PolarHBondContact O-N 3.13Å; V185-L188 PolarHBondContact O-N 3.48Å; D186-L188 PolarHBondContact O-N 3.33Å; L188-G191 PolarHBondContact O-N 3.02Å; L188-G192 PolarHBondContact O-N 2.97Å; L188-L210 HydrophobicContact CD1-CD1 3.64Å
189A98.8Very high98.7Very high0 Ų074.9 Ų74.90%043%0.429CS..Hα-helixtrans-66.3-41.5175.700000111.7V185 D186 A187 G191 G192 V193 A202 V203V185-A189 WeakPolarHBondContact O-CB 3.31Å; V185-A189 PolarHBondContact O-N 2.88Å; D186-A189 WeakPolarHBondContact O-CB 3.35Å; D186-A189 PolarHBondContact O-N 2.9Å; D186-A189 VanDerWaalsContact O-N 3.17Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A189-G191 VanDerWaalsContact C-N 3.34Å; A189-G192 PolarHBondContact O-N 3.02Å; A189-V193 VanDerWaalsContact O-CG2 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.4Å; A189-V193 PolarHBondContact O-N 3.46Å; A189-A202 HydrophobicContact CB-CB 4.15Å; A189-V203 HydrophobicContact CB-CB 4.4Å; A189-V203 HydrophobicContact CB-CG2 3.58Å
190D98.9Very high98.7Very high79 Ų7982.8 Ų82.842%0.42245%0.446SS..Hα-helixtrans-57.7-46.4171.6-81.8-10.5000111.5D186 A187 G192 V193 K194 R199D186-D190 PolarHBondContact O-N 3.46Å; A187-D190 WeakPolarHBondContact O-CB 3.37Å; A187-D190 PolarHBondContact O-N 3.26Å; D190-G192 PolarHBondContact O-N 2.99Å; D190-V193 PolarHBondContact O-N 3.5Å; D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 PolarHBondContact O-N 3.25Å; D190-R199 IonicContact OD1-CZ 2.82Å; D190-R199 IonicContact OD1-NH1 2.96Å; D190-R199 PolarHBondContact OD1-NH1 3.36Å; D190-R199 IonicContact OD1-NH2 2.88Å; D190-R199 PolarHBondContact OD1-NH2 3.26Å
191G98.8Very high98.7Very high33 Ų3383.8 Ų83.834%0.3446%0.455SS..Hα-helixtrans-59.2-45.3174.900000112.4A187 L188 A189 V193 K194 M195A187-G191 PolarHBondContact O-N 3.45Å; L188-G191 PolarHBondContact O-N 3.02Å; A189-G191 VanDerWaalsContact C-N 3.34Å; G191-V193 PolarHBondContact O-N 2.94Å; G191-K194 WeakPolarHBondContact O-CB 3.18Å; G191-K194 PolarHBondContact O-N 3.26Å; G191-M195 WeakPolarHBondContact O-CG 3.5Å; G191-M195 PolarHBondContact O-N 2.9Å; G191-M195 VanDerWaalsContact O-N 3.15Å
192G98.8Very high98.7Very high14 Ų1482.1 Ų82.114%0.14444%0.442CS..Hα-helixtrans-61.4-42.3175.800000113L188 A189 D190 M195 G196 L197L188-G192 PolarHBondContact O-N 2.97Å; A189-G192 PolarHBondContact O-N 3.02Å; D190-G192 PolarHBondContact O-N 2.99Å; G192-M195 CarbonylContact O-C 3.46Å; G192-M195 PolarHBondContact O-N 3.31Å; G192-M195 VanDerWaalsContact O-N 3.15Å; G192-G196 PolarHBondContact O-N 2.92Å; G192-L197 WeakPolarHBondContact O-CB 3.3Å; G192-L197 PolarHBondContact O-N 3.24Å
193V98.8Very high98.7Very high55 Ų5578.2 Ų78.233%0.33343%0.429SS..Hα-helixtrans-64.1-42.1175.8170.90000111.2A189 D190 G191 M195 G196 L197 R199 A202A189-V193 VanDerWaalsContact O-CG2 3.3Å; A189-V193 WeakPolarHBondContact O-CG2 3.4Å; A189-V193 PolarHBondContact O-N 3.46Å; D190-V193 PolarHBondContact O-N 3.5Å; G191-V193 PolarHBondContact O-N 2.94Å; V193-M195 PolarHBondContact O-N 3.03Å; V193-G196 PolarHBondContact O-N 3.05Å; V193-L197 WeakPolarHBondContact CA-O 3.44Å; V193-L197 WeakPolarHBondContact CG2-O 3.33Å; V193-R199 HydrophobicContact CG2-CB 4.1Å; V193-A202 HydrophobicContact CG2-CB 4.32Å
194K98.8Very high98.7Very high185 Ų18580.5 Ų80.580%0.80443%0.429SS*.Hα-helixtrans-57.9-30.5174.2-175.5179.8178.3-176.90112.3D190 G191D190-K194 WeakPolarHBondContact O-CB 3.46Å; D190-K194 PolarHBondContact O-N 3.25Å; G191-K194 WeakPolarHBondContact O-CB 3.18Å; G191-K194 PolarHBondContact O-N 3.26Å
195M98.8Very high98.7Very high159 Ų15983.1 Ų83.178%0.78344%0.437SS*.THydrogen-bonded Turntrans-91.79.8176.1-58.1-50.9-62.700113.9G191 G192 V193G191-M195 WeakPolarHBondContact O-CG 3.5Å; G191-M195 PolarHBondContact O-N 2.9Å; G191-M195 VanDerWaalsContact O-N 3.15Å; G192-M195 CarbonylContact O-C 3.46Å; G192-M195 PolarHBondContact O-N 3.31Å; G192-M195 VanDerWaalsContact O-N 3.15Å; V193-M195 PolarHBondContact O-N 3.03Å
196G98.5Very high98.7Very high65 Ų6582.5 Ų82.567%0.6744%0.435SS*.THydrogen-bonded Turntrans995.2171.300000115.9G192 V193G192-G196 PolarHBondContact O-N 2.92Å; V193-G196 PolarHBondContact O-N 3.05Å
197L98.6Very high98.7Very high69 Ų6980.2 Ų80.236%0.36143%0.429SS..  trans-76.6142.6176.2-61.7-179.4000111.9G192 V193 R199 A202 L205G192-L197 WeakPolarHBondContact O-CB 3.3Å; G192-L197 PolarHBondContact O-N 3.24Å; V193-L197 WeakPolarHBondContact CA-O 3.44Å; V193-L197 WeakPolarHBondContact CG2-O 3.33Å; L197-R199 PolarHBondContact O-N 2.99Å; L197-A202 HydrophobicContact CB-CB 4.14Å; L197-A202 HydrophobicContact CD1-CB 4.44Å; L197-L205 HydrophobicContact CD1-CD1 4.4Å
198P98.7Very high98.7Very high86 Ų8682.1 Ų82.156%0.55843%0.428SS*.  trans-61.7136.9167-22.933.9000111.4R200 L201 A202P198-R200 VanDerWaalsContact C-N 3.31Å; P198-R200 PolarHBondContact O-N 2.85Å; P198-R200 VanDerWaalsContact O-N 3.15Å; P198-L201 HydrophobicContact CB-CB 4.49Å; P198-L201 WeakPolarHBondContact O-CB 3.15Å; P198-L201 PolarHBondContact O-N 2.94Å; P198-A202 PolarHBondContact O-N 3.38Å
199R98.6Very high98.7Very high108 Ų10881 Ų8141%0.40843%0.43SS..Hα-helixtrans-47.5-49-176.8173.962.871.9176.9-0.3113.5D190 V193 L197 L201 A202 V203D190-R199 IonicContact OD1-CZ 2.82Å; D190-R199 IonicContact OD1-NH1 2.96Å; D190-R199 PolarHBondContact OD1-NH1 3.36Å; D190-R199 IonicContact OD1-NH2 2.88Å; D190-R199 PolarHBondContact OD1-NH2 3.26Å; V193-R199 HydrophobicContact CG2-CB 4.1Å; L197-R199 PolarHBondContact O-N 2.99Å; R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 PolarHBondContact O-N 2.83Å; R199-A202 PolarHBondContact O-N 3.4Å; R199-V203 WeakPolarHBondContact O-CG2 3.35Å; R199-V203 PolarHBondContact O-N 2.89Å
200R98.6Very high98.7Very high226 Ų22683.8 Ų83.885%0.85345%0.445SS*.Hα-helixtrans-60.5-39.7-178.4-177.2179175.6-174.5-1.2112.2P198 R204P198-R200 VanDerWaalsContact C-N 3.31Å; P198-R200 PolarHBondContact O-N 2.85Å; P198-R200 VanDerWaalsContact O-N 3.15Å; R200-R204 PolarHBondContact O-N 3.5Å
201L98.6Very high98.7Very high83 Ų8385.3 Ų85.344%0.43545%0.452SS..Hα-helixtrans-70.5-44.6177.6179.760.8000110.6P198 R199 V203 R204 L205P198-L201 HydrophobicContact CB-CB 4.49Å; P198-L201 WeakPolarHBondContact O-CB 3.15Å; P198-L201 PolarHBondContact O-N 2.94Å; R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 PolarHBondContact O-N 2.83Å; L201-V203 PolarHBondContact O-N 3.33Å; L201-R204 PolarHBondContact O-N 3.08Å; L201-R204 VanDerWaalsContact O-N 3.15Å; L201-L205 HydrophobicContact CD1-CD1 3.93Å; L201-L205 HydrophobicContact CD1-CD2 4.44Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.44Å; L201-L205 HydrophobicContact CG-CD1 3.82Å; L201-L205 HydrophobicContact CG-CG 4.24Å; L201-L205 WeakPolarHBondContact O-CG 3.38Å; L201-L205 PolarHBondContact O-N 3.36Å
202A98.8Very high98.7Very high5 Ų585 Ų854%0.04145%0.449CS..Hα-helixtrans-59-46.4-18000000112.3A189 V193 L197 P198 R199 R204 L205 G206A189-A202 HydrophobicContact CB-CB 4.15Å; V193-A202 HydrophobicContact CG2-CB 4.32Å; L197-A202 HydrophobicContact CB-CB 4.14Å; L197-A202 HydrophobicContact CD1-CB 4.44Å; P198-A202 PolarHBondContact O-N 3.38Å; R199-A202 PolarHBondContact O-N 3.4Å; A202-R204 VanDerWaalsContact C-N 3.34Å; A202-R204 PolarHBondContact O-N 3.2Å; A202-L205 PolarHBondContact O-N 2.71Å; A202-G206 PolarHBondContact O-N 3.05Å
203V98.8Very high98.7Very high58 Ų5887.1 Ų87.135%0.35247%0.466SS..Hα-helixtrans-59.1-45.3174.8172.80000111.1V185 A189 R199 L201 G206 A207V185-V203 HydrophobicContact CG1-CG1 4.43Å; A189-V203 HydrophobicContact CB-CB 4.4Å; A189-V203 HydrophobicContact CB-CG2 3.58Å; R199-V203 WeakPolarHBondContact O-CG2 3.35Å; R199-V203 PolarHBondContact O-N 2.89Å; L201-V203 PolarHBondContact O-N 3.33Å; V203-G206 PolarHBondContact O-N 3.11Å; V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 3.27Å
204R98.6Very high98.6Very high175 Ų17587 Ų8766%0.6647%0.47SS*.Hα-helixtrans-66-42.8-178-172.562.9179.2-161.53.8112.1R200 L201 A202 Q208R200-R204 PolarHBondContact O-N 3.5Å; L201-R204 PolarHBondContact O-N 3.08Å; L201-R204 VanDerWaalsContact O-N 3.15Å; A202-R204 VanDerWaalsContact C-N 3.34Å; A202-R204 PolarHBondContact O-N 3.2Å; R204-Q208 VanDerWaalsContact O-CB 3.28Å; R204-Q208 WeakPolarHBondContact O-CB 2.97Å; R204-Q208 PolarHBondContact O-N 3.17Å
205L98.8Very high98.6Very high92 Ų9284.5 Ų84.548%0.48246%0.456SS..Hα-helixtrans-66.7-43.7178-68.9175.6000111.6L197 L201 A202 Q208 A209L197-L205 HydrophobicContact CD1-CD1 4.4Å; L201-L205 HydrophobicContact CD1-CD1 3.93Å; L201-L205 HydrophobicContact CD1-CD2 4.44Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.44Å; L201-L205 HydrophobicContact CG-CD1 3.82Å; L201-L205 HydrophobicContact CG-CG 4.24Å; L201-L205 WeakPolarHBondContact O-CG 3.38Å; L201-L205 PolarHBondContact O-N 3.36Å; A202-L205 PolarHBondContact O-N 2.71Å; L205-Q208 PolarHBondContact O-N 3.48Å; L205-A209 WeakPolarHBondContact O-CB 3.37Å; L205-A209 PolarHBondContact O-N 3.03Å
206G98.6Very high98.6Very high9 Ų982.3 Ų82.39%0.09345%0.445CS..Hα-helixtrans-60-48.8176.200000112.4A202 V203 Q208 A209 L210A202-G206 PolarHBondContact O-N 3.05Å; V203-G206 PolarHBondContact O-N 3.11Å; G206-Q208 PolarHBondContact O-N 2.89Å; G206-A209 PolarHBondContact O-N 3.47Å; G206-L210 WeakPolarHBondContact O-CD1 3.08Å; G206-L210 PolarHBondContact O-N 2.89Å; G206-L210 VanDerWaalsContact O-N 3.13Å
207A98.7Very high98.6Very high42 Ų4282.6 Ų82.635%0.34743%0.43SS..Hα-helixtrans-61.6-42.5176.700000112.5V185 V203 L210 L211V185-A207 HydrophobicContact CG1-CB 4.32Å; V203-A207 WeakPolarHBondContact O-CB 3.47Å; V203-A207 PolarHBondContact O-N 3.27Å; A207-L210 PolarHBondContact O-N 2.89Å; A207-L211 WeakPolarHBondContact O-CB 3.19Å; A207-L211 PolarHBondContact O-N 3.43Å
208Q98.8Very high98.5Very high98 Ų9885.8 Ų85.846%0.45845%0.447SS..Hα-helixtrans-65.6-38.1178.4-172.564.947.100112.2R204 L205 G206 G212R204-Q208 VanDerWaalsContact O-CB 3.28Å; R204-Q208 WeakPolarHBondContact O-CB 2.97Å; R204-Q208 PolarHBondContact O-N 3.17Å; L205-Q208 PolarHBondContact O-N 3.48Å; G206-Q208 PolarHBondContact O-N 2.89Å; Q208-G212 PolarHBondContact O-N 3.45Å
209A98.7Very high98.4Very high59 Ų5986.8 Ų86.849%0.48845%0.448SS..Hα-helixtrans-64.1-45177.400000111.7L205 G206 G212 A213L205-A209 WeakPolarHBondContact O-CB 3.37Å; L205-A209 PolarHBondContact O-N 3.03Å; G206-A209 PolarHBondContact O-N 3.47Å; A209-G212 PolarHBondContact O-N 3.04Å; A209-A213 WeakPolarHBondContact O-CB 3.32Å; A209-A213 PolarHBondContact O-N 3.4Å
210L98.6Very high98.3Very high59 Ų5983.6 Ų83.631%0.30944%0.442SS..Hα-helixtrans-65.2-43.6176.9-92.168000111.9V185 L188 G206 A207 A213 A214V185-L210 HydrophobicContact CG2-CD2 3.8Å; L188-L210 HydrophobicContact CD1-CD1 3.64Å; G206-L210 WeakPolarHBondContact O-CD1 3.08Å; G206-L210 PolarHBondContact O-N 2.89Å; G206-L210 VanDerWaalsContact O-N 3.13Å; A207-L210 PolarHBondContact O-N 2.89Å; L210-A213 PolarHBondContact O-N 2.95Å; L210-A214 WeakPolarHBondContact O-CB 3.49Å; L210-A214 PolarHBondContact O-N 2.82Å
211L98.6Very high98.2Very high111 Ų11182.7 Ų82.758%0.58145%0.448SS*.Hα-helixtrans-59.6-48.1176.7-178.7151.2000111.4A207 A214 R215A207-L211 WeakPolarHBondContact O-CB 3.19Å; A207-L211 PolarHBondContact O-N 3.43Å; L211-A214 PolarHBondContact O-N 3.35Å; L211-R215 WeakPolarHBondContact O-CB 3.42Å; L211-R215 PolarHBondContact O-N 3.45Å
212G98.4Very high98.1Very high26 Ų2683 Ų8327%0.26845%0.447SS..Hα-helixtrans-63.1-45.1179.600000112.6Q208 A209 R215 M216Q208-G212 PolarHBondContact O-N 3.45Å; A209-G212 PolarHBondContact O-N 3.04Å; G212-R215 PolarHBondContact O-N 3.44Å; G212-M216 VanDerWaalsContact O-CG 3.31Å; G212-M216 WeakPolarHBondContact O-CG 3.24Å; G212-M216 PolarHBondContact O-N 2.62Å
213A98.6Very high98.1Very high60 Ų6089.3 Ų89.350%0.49648%0.475SS..Hα-helixtrans-63.1-43.5178.600000112.3A209 L210 M216 L217A209-A213 WeakPolarHBondContact O-CB 3.32Å; A209-A213 PolarHBondContact O-N 3.4Å; L210-A213 PolarHBondContact O-N 2.95Å; A213-M216 PolarHBondContact O-N 2.68Å; A213-L217 PolarHBondContact O-N 3Å; A213-L217 VanDerWaalsContact O-N 3.15Å
214A98.3Very high98.1Very high51 Ų5190 Ų9042%0.42148%0.481SS..Hα-helixtrans-63-44.4175.800000111.4L210 L211 M216 L217 L218L210-A214 WeakPolarHBondContact O-CB 3.49Å; L210-A214 PolarHBondContact O-N 2.82Å; L211-A214 PolarHBondContact O-N 3.35Å; A214-M216 PolarHBondContact O-N 3.2Å; A214-L217 PolarHBondContact O-N 3.47Å; A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.34Å
215R98.1Very high98Very high133 Ų13382.7 Ų82.750%0.50246%0.46SS..Hα-helixtrans-61.4-44.6177.7-174.569.1-163.8-165.513.9112.3L211 G212 L217 L218 D219L211-R215 WeakPolarHBondContact O-CB 3.42Å; L211-R215 PolarHBondContact O-N 3.45Å; G212-R215 PolarHBondContact O-N 3.44Å; R215-L217 VanDerWaalsContact C-N 3.26Å; R215-L217 PolarHBondContact O-N 3.04Å; R215-L218 PolarHBondContact O-N 2.8Å; R215-D219 IonicContact CZ-OD1 2.78Å; R215-D219 IonicContact CZ-OD2 4Å; R215-D219 IonicContact NE-OD1 3.19Å; R215-D219 PolarHBondContact NE-OD1 3.37Å; R215-D219 IonicContact NE-OD2 2.78Å; R215-D219 PolarHBondContact NE-OD2 2.97Å; R215-D219 IonicContact NH2-OD1 3.97Å; R215-D219 PolarHBondContact NH2-OD1 3.23Å; R215-D219 IonicContact NH2-OD2 3.78Å; R215-D219 PolarHBondContact NH2-OD2 3.42Å; R215-D219 PolarHBondContact O-N 3.37Å
216M98.2Very high98Very high114 Ų11482.6 Ų82.656%0.56246%0.457SS*.Hα-helixtrans-58.6-37.9176-74.8177.367.400112.5G212 A213 A214 S220G212-M216 VanDerWaalsContact O-CG 3.31Å; G212-M216 WeakPolarHBondContact O-CG 3.24Å; G212-M216 PolarHBondContact O-N 2.62Å; A213-M216 PolarHBondContact O-N 2.68Å; A214-M216 PolarHBondContact O-N 3.2Å; M216-S220 WeakPolarHBondContact O-CB 3.34Å; M216-S220 PolarHBondContact O-N 3.5Å
217L98.4Very high98Very high70 Ų7083.4 Ų83.437%0.36646%0.459SS..Hα-helixtrans-70.5-41.4176.8-179.963.6000111.8A213 A214 R215 D219 S220 P224 L227A213-L217 PolarHBondContact O-N 3Å; A213-L217 VanDerWaalsContact O-N 3.15Å; A214-L217 PolarHBondContact O-N 3.47Å; R215-L217 VanDerWaalsContact C-N 3.26Å; R215-L217 PolarHBondContact O-N 3.04Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-D219 PolarHBondContact O-N 3Å; L217-S220 PolarHBondContact O-N 3.07Å; L217-S220 VanDerWaalsContact O-O 3.04Å; L217-P224 HydrophobicContact CD1-CB 4.14Å; L217-P224 HydrophobicContact CD2-CB 4.38Å; L217-L227 HydrophobicContact CB-CD1 4.05Å; L217-L227 HydrophobicContact CD1-CD1 3.84Å
218L97.4Very high98Very high137 Ų13784.6 Ų84.672%0.71746%0.456SS*.Hα-helixtrans-68-32.5-179.9-69.2171.5000113.1A214 R215 S220A214-L218 WeakPolarHBondContact O-CG 3.49Å; A214-L218 PolarHBondContact O-N 3.34Å; R215-L218 PolarHBondContact O-N 2.8Å; L218-S220 VanDerWaalsContact C-N 3.33Å
219D97Very high97.9Very high106 Ų10683.7 Ų83.757%0.56746%0.455SS*.THydrogen-bonded Turntrans-88.11.2178.9-65.5-25.6000113R215 L217R215-D219 IonicContact CZ-OD1 2.78Å; R215-D219 IonicContact CZ-OD2 4Å; R215-D219 IonicContact NE-OD1 3.19Å; R215-D219 PolarHBondContact NE-OD1 3.37Å; R215-D219 IonicContact NE-OD2 2.78Å; R215-D219 PolarHBondContact NE-OD2 2.97Å; R215-D219 IonicContact NH2-OD1 3.97Å; R215-D219 PolarHBondContact NH2-OD1 3.23Å; R215-D219 IonicContact NH2-OD2 3.78Å; R215-D219 PolarHBondContact NH2-OD2 3.42Å; R215-D219 PolarHBondContact O-N 3.37Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-D219 PolarHBondContact O-N 3Å
220S96Very high97.9Very high41 Ų4185.5 Ų85.529%0.28746%0.456SS..  trans-122.8146.3-174.4-176.20000112M216 L217 L218 Q222M216-S220 WeakPolarHBondContact O-CB 3.34Å; M216-S220 PolarHBondContact O-N 3.5Å; L217-S220 PolarHBondContact O-N 3.07Å; L217-S220 VanDerWaalsContact O-O 3.04Å; L218-S220 VanDerWaalsContact C-N 3.33Å; S220-Q222 VanDerWaalsContact C-N 3.29Å; S220-Q222 WeakPolarHBondContact OG-CB 3.48Å; S220-Q222 WeakPolarHBondContact OG-CG 3.48Å; S220-Q222 PolarHBondContact OG-N 2.78Å; S220-Q222 VanDerWaalsContact OG-N 3.09Å
221E95.7Very high97.8Very high207 Ų20787 Ų8797%0.96747%0.467SS*.  trans-86.90.4169.9-62.3-176.3172.200112.5
222Q97.6Very high97.7Very high90 Ų9082.8 Ų82.842%0.42145%0.447SS..SBendtrans-75.7142-178.2-65.3-177.3-42.700112.2S220 L227S220-Q222 VanDerWaalsContact C-N 3.29Å; S220-Q222 WeakPolarHBondContact OG-CB 3.48Å; S220-Q222 WeakPolarHBondContact OG-CG 3.48Å; S220-Q222 PolarHBondContact OG-N 2.78Å; S220-Q222 VanDerWaalsContact OG-N 3.09Å; Q222-L227 HydrophobicContact CB-CD2 4.31Å; Q222-L227 HydrophobicContact CB-CG 4.29Å
223H98.4Very high97.6Very high138 Ų13885.4 Ų85.464%0.63946%0.461SS*.  trans-59.3140.7171.7-175.6-99.6000111.1G225 Q226 L227H223-G225 PolarHBondContact ND1-N 3.38Å; H223-G225 PolarHBondContact O-N 2.97Å; H223-G225 VanDerWaalsContact O-N 3.09Å; H223-Q226 WeakPolarHBondContact O-CA 3.12Å; H223-Q226 WeakPolarHBondContact O-CB 3.43Å; H223-Q226 PolarHBondContact O-N 3.32Å; H223-L227 PolarHBondContact O-N 3.42Å
224P98Very high97.4Very high72 Ų7289.1 Ų89.147%0.46848%0.481SS..Hα-helixtrans-58-28.2-179.921-34.4000113.6L217 Q226 L227 K228L217-P224 HydrophobicContact CD1-CB 4.14Å; L217-P224 HydrophobicContact CD2-CB 4.38Å; P224-Q226 VanDerWaalsContact C-N 3.33Å; P224-L227 PolarHBondContact O-N 3.16Å; P224-K228 WeakPolarHBondContact O-CB 3.42Å; P224-K228 PolarHBondContact O-N 3.21Å
225G98.3Very high97.4Very high21 Ų2189.9 Ų89.922%0.21649%0.493CS..Hα-helixtrans-62.2-37.5171.600000113.3H223 K228 D229H223-G225 PolarHBondContact ND1-N 3.38Å; H223-G225 PolarHBondContact O-N 2.97Å; H223-G225 VanDerWaalsContact O-N 3.09Å; G225-K228 WeakPolarHBondContact O-CB 3.28Å; G225-K228 PolarHBondContact O-N 3.39Å; G225-D229 VanDerWaalsContact O-CG 3.28Å; G225-D229 PolarHBondContact O-N 3.34Å
226Q98.3Very high97.4Very high90 Ų9084.6 Ų84.642%0.42148%0.48SS..Hα-helixtrans-70.9-43.3176.8-17561.860.200111.3H223 P224 K228 D229 N230H223-Q226 WeakPolarHBondContact O-CA 3.12Å; H223-Q226 WeakPolarHBondContact O-CB 3.43Å; H223-Q226 PolarHBondContact O-N 3.32Å; P224-Q226 VanDerWaalsContact C-N 3.33Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 2.93Å; Q226-D229 PolarHBondContact O-N 3.25Å; Q226-D229 VanDerWaalsContact O-N 3.11Å; Q226-N230 PolarHBondContact NE2-OD1 3.48Å; Q226-N230 PolarHBondContact O-N 3Å; Q226-N230 PolarHBondContact O-ND2 3.2Å; Q226-N230 PolarHBondContact O-OD1 3.15Å
227L97.9Very high97.4Very high26 Ų2683.3 Ų83.314%0.13649%0.488CS..Hα-helixtrans-60.3-39.6175.1-68.2178.5000111.6L217 Q222 H223 P224 N230 V231L217-L227 HydrophobicContact CB-CD1 4.05Å; L217-L227 HydrophobicContact CD1-CD1 3.84Å; Q222-L227 HydrophobicContact CB-CD2 4.31Å; Q222-L227 HydrophobicContact CB-CG 4.29Å; H223-L227 PolarHBondContact O-N 3.42Å; P224-L227 PolarHBondContact O-N 3.16Å; L227-N230 PolarHBondContact O-N 3.5Å; L227-V231 WeakPolarHBondContact O-CG2 3.43Å; L227-V231 PolarHBondContact O-N 3.46Å
228K98.1Very high97.4Very high68 Ų6882.7 Ų82.730%0.29649%0.487SS..Hα-helixtrans-58.1-47.3171.7175.8-165.16866.30111.4P224 G225 Q226 N230 V231 C232 L242P224-K228 WeakPolarHBondContact O-CB 3.42Å; P224-K228 PolarHBondContact O-N 3.21Å; G225-K228 WeakPolarHBondContact O-CB 3.28Å; G225-K228 PolarHBondContact O-N 3.39Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 2.93Å; K228-N230 VanDerWaalsContact C-N 3.34Å; K228-N230 PolarHBondContact O-N 3.34Å; K228-V231 PolarHBondContact O-N 2.92Å; K228-C232 PolarHBondContact O-N 3.46Å; K228-C232 PolarHBondContact O-SG 3.32Å; K228-L242 HydrophobicContact CD-CD1 3.95Å; K228-L242 HydrophobicContact CG-CD1 3.81Å
229D98Very high97.4Very high79 Ų7979.5 Ų79.542%0.42247%0.47SS..Hα-helixtrans-65-37.6-179.6-68.5-17.1000112.3G225 Q226 V231 C232G225-D229 VanDerWaalsContact O-CG 3.28Å; G225-D229 PolarHBondContact O-N 3.34Å; Q226-D229 PolarHBondContact O-N 3.25Å; Q226-D229 VanDerWaalsContact O-N 3.11Å; D229-V231 PolarHBondContact O-N 3.2Å; D229-V231 VanDerWaalsContact O-N 3.17Å; D229-C232 PolarHBondContact O-N 2.99Å
230N97.6Very high97.5Very high96 Ų9680.1 Ų80.151%0.51347%0.469SS..Hα-helixtrans-61.8-24.1176.6-63.7-12000113Q226 L227 K228Q226-N230 PolarHBondContact NE2-OD1 3.48Å; Q226-N230 PolarHBondContact O-N 3Å; Q226-N230 PolarHBondContact O-ND2 3.2Å; Q226-N230 PolarHBondContact O-OD1 3.15Å; L227-N230 PolarHBondContact O-N 3.5Å; K228-N230 VanDerWaalsContact C-N 3.34Å; K228-N230 PolarHBondContact O-N 3.34Å
231V97.6Very high97.6Very high90 Ų9080.5 Ų80.555%0.54548%0.475SS..Hα-helixtrans-87.4-17.9174.7-178.20000111.9L227 K228 D229 S233 T238L227-V231 WeakPolarHBondContact O-CG2 3.43Å; L227-V231 PolarHBondContact O-N 3.46Å; K228-V231 PolarHBondContact O-N 2.92Å; D229-V231 PolarHBondContact O-N 3.2Å; D229-V231 VanDerWaalsContact O-N 3.17Å; V231-S233 PolarHBondContact O-N 2.99Å; V231-T238 HydrophobicContact CG1-CG2 4.16Å
232C95.9Very high97.8Very high24 Ų2472.4 Ų72.416%0.16244%0.438CS..  trans-93.4100.7-175.8-65.80000111.9K228 D229 L242K228-C232 PolarHBondContact O-N 3.46Å; K228-C232 PolarHBondContact O-SG 3.32Å; D229-C232 PolarHBondContact O-N 2.99Å; C232-L242 WeakPolarHBondContact SG-CD1 3.23Å
233S95.5Very high97.8Very high81 Ų8174.3 Ų74.357%0.56645%0.446SS*.  trans-74.5143.1167.4-49.10000111.3V231 G235 G236V231-S233 PolarHBondContact O-N 2.99Å; S233-G235 PolarHBondContact O-N 2.99Å; S233-G236 PolarHBondContact O-N 3.26Å
234P96.3Very high97.8Very high138 Ų13872.8 Ų72.890%0.89645%0.447SS*.THydrogen-bonded Turntrans-53.8126.7175.1-27.335.5000112.2G236P234-G236 PolarHBondContact O-N 3.13Å
235G97.1Very high97.9Very high66 Ų6673.4 Ų73.468%0.6844%0.444SS*.THydrogen-bonded Turntrans69.63.5-17700000115.5S233S233-G235 PolarHBondContact O-N 2.99Å
236G98.1Very high97.9Very high23 Ų2376.3 Ų76.324%0.23745%0.453CS..  trans-74.6174.1-175.300000114.7S233 P234 T238 I239 H240S233-G236 PolarHBondContact O-N 3.26Å; P234-G236 PolarHBondContact O-N 3.13Å; G236-T238 PolarHBondContact O-N 2.98Å; G236-I239 VanDerWaalsContact O-CG2 3.3Å; G236-I239 WeakPolarHBondContact O-CG2 3.31Å; G236-H240 PolarHBondContact O-ND1 3.19Å
237A98Very high97.9Very high87 Ų8776.2 Ų76.272%0.71946%0.462SS*.Hα-helixtrans-62.7-39.9-18000000112.9I239 H240 A241A237-I239 PolarHBondContact O-N 3.11Å; A237-H240 PolarHBondContact O-N 3.08Å; A237-A241 PolarHBondContact O-N 3.29Å; A237-A241 VanDerWaalsContact O-N 3.12Å
238T98.3Very high97.9Very high56 Ų5677.8 Ų77.834%0.34448%0.484SS..Hα-helixtrans-61.2-44.7-176.2-49.20000112.5V231 G236 H240 A241 L242V231-T238 HydrophobicContact CG1-CG2 4.16Å; G236-T238 PolarHBondContact O-N 2.98Å; T238-H240 VanDerWaalsContact C-N 3.29Å; T238-H240 PolarHBondContact O-N 3.03Å; T238-A241 PolarHBondContact O-N 2.96Å; T238-L242 HydrophobicContact CG2-CD1 4.36Å; T238-L242 HydrophobicContact CG2-CG 4.48Å; T238-L242 WeakPolarHBondContact O-CG 3.06Å; T238-L242 PolarHBondContact O-N 2.92Å
239I98.4Very high97.9Very high71 Ų7175.6 Ų75.636%0.36448%0.481SS..Hα-helixtrans-67.7-31.5-177.2-168.361.8000112.1G236 A237 L242 H243G236-I239 VanDerWaalsContact O-CG2 3.3Å; G236-I239 WeakPolarHBondContact O-CG2 3.31Å; A237-I239 PolarHBondContact O-N 3.11Å; I239-L242 HydrophobicContact CD1-CD1 4.42Å; I239-H243 PolarHBondContact O-N 2.88Å
240H98.6Very high97.9Very high118 Ų11876.7 Ų76.755%0.54648%0.482SS..Hα-helixtrans-68-40.7172.7-71.182.7000112G236 A237 T238 H243 V244G236-H240 PolarHBondContact O-ND1 3.19Å; A237-H240 PolarHBondContact O-N 3.08Å; T238-H240 VanDerWaalsContact C-N 3.29Å; T238-H240 PolarHBondContact O-N 3.03Å; H240-H243 PolarHBondContact O-N 3.3Å; H240-V244 PolarHBondContact O-N 3.24Å
241A98.6Very high98Very high50 Ų5078.3 Ų78.341%0.41348%0.481SS..Hα-helixtrans-64.2-43.7175.200000111.7A237 T238 H243 V244 M245A237-A241 PolarHBondContact O-N 3.29Å; A237-A241 VanDerWaalsContact O-N 3.12Å; T238-A241 PolarHBondContact O-N 2.96Å; A241-H243 VanDerWaalsContact C-N 3.32Å; A241-H243 PolarHBondContact O-N 3.2Å; A241-V244 PolarHBondContact O-N 3.15Å; A241-M245 PolarHBondContact O-N 3.15Å; A241-M245 VanDerWaalsContact O-N 3.15Å
242L98.6Very high98Very high37 Ų3776.8 Ų76.819%0.19447%0.474CS..Hα-helixtrans-61-40.5175.9-71.4177.3000111.9K228 C232 T238 I239 V244 M245 E246K228-L242 HydrophobicContact CD-CD1 3.95Å; K228-L242 HydrophobicContact CG-CD1 3.81Å; C232-L242 WeakPolarHBondContact SG-CD1 3.23Å; T238-L242 HydrophobicContact CG2-CD1 4.36Å; T238-L242 HydrophobicContact CG2-CG 4.48Å; T238-L242 WeakPolarHBondContact O-CG 3.06Å; T238-L242 PolarHBondContact O-N 2.92Å; I239-L242 HydrophobicContact CD1-CD1 4.42Å; L242-V244 VanDerWaalsContact C-N 3.31Å; L242-V244 PolarHBondContact O-N 3.49Å; L242-M245 HydrophobicContact CD2-SD 4.33Å; L242-M245 WeakPolarHBondContact O-CB 3.35Å; L242-M245 PolarHBondContact O-N 3.29Å; L242-M245 VanDerWaalsContact O-N 3.14Å; L242-E246 WeakPolarHBondContact O-CG 3.38Å; L242-E246 PolarHBondContact O-N 3.49Å
243H98.8Very high98.2Very high129 Ų12980.9 Ų80.960%0.59749%0.494SS*.Hα-helixtrans-55.9-46176.3-179.6-157.6000111.7I239 H240 A241 M245 E246 S247I239-H243 PolarHBondContact O-N 2.88Å; H240-H243 PolarHBondContact O-N 3.3Å; A241-H243 VanDerWaalsContact C-N 3.32Å; A241-H243 PolarHBondContact O-N 3.2Å; H243-M245 PolarHBondContact O-N 3.36Å; H243-E246 PolarHBondContact O-N 3.41Å; H243-S247 PolarHBondContact O-N 3.04Å; H243-S247 PolarHBondContact O-OG 3.22Å
244V98.8Very high98.3Very high107 Ų10780.7 Ų80.765%0.64849%0.486SS*.Hα-helixtrans-63.6-40177.3177.60000112H240 A241 L242 S247 G248H240-V244 PolarHBondContact O-N 3.24Å; A241-V244 PolarHBondContact O-N 3.15Å; L242-V244 VanDerWaalsContact C-N 3.31Å; L242-V244 PolarHBondContact O-N 3.49Å; V244-S247 PolarHBondContact O-N 2.98Å; V244-G248 PolarHBondContact O-N 3.06Å; V244-G248 VanDerWaalsContact O-N 3.14Å
245M98.4Very high98.4Very high84 Ų8479.5 Ų79.541%0.41447%0.471SS..Hα-helixtrans-62.5-43.6176.1-68.1-179.9176.800111.8A241 L242 H243 G248 G249 F250A241-M245 PolarHBondContact O-N 3.15Å; A241-M245 VanDerWaalsContact O-N 3.15Å; L242-M245 HydrophobicContact CD2-SD 4.33Å; L242-M245 WeakPolarHBondContact O-CB 3.35Å; L242-M245 PolarHBondContact O-N 3.29Å; L242-M245 VanDerWaalsContact O-N 3.14Å; H243-M245 PolarHBondContact O-N 3.36Å; M245-G248 PolarHBondContact O-N 2.95Å; M245-G249 PolarHBondContact O-N 3.36Å; M245-F250 HydrophobicContact CB-CB 4.04Å; M245-F250 HydrophobicContact CB-CG 4.41Å; M245-F250 WeakPolarHBondContact O-CB 3.37Å; M245-F250 PolarHBondContact O-N 2.86Å
246E98.6Very high98.5Very high83 Ų8380.2 Ų80.239%0.38846%0.459SS..Hα-helixtrans-67.5-40.3177.6-62.7-66.7-176.200111.5L242 H243 G248 G249 R251L242-E246 WeakPolarHBondContact O-CG 3.38Å; L242-E246 PolarHBondContact O-N 3.49Å; H243-E246 PolarHBondContact O-N 3.41Å; E246-G248 PolarHBondContact O-N 3.2Å; E246-G249 PolarHBondContact O-N 2.96Å; E246-R251 IonicContact OE1-CZ 3.26Å; E246-R251 IonicContact OE1-NE 3.94Å; E246-R251 PolarHBondContact OE1-NE 3.05Å; E246-R251 IonicContact OE1-NH2 3.36Å; E246-R251 PolarHBondContact OE1-NH2 2.9Å; E246-R251 IonicContact OE2-NE 2.71Å; E246-R251 PolarHBondContact OE2-NE 3.35Å
247S98.5Very high98.5Very high88 Ų8880.6 Ų80.662%0.61546%0.46SS*.Hα-helixtrans-59.6-29.7174.4-58.60000112.9H243 V244 G249H243-S247 PolarHBondContact O-N 3.04Å; H243-S247 PolarHBondContact O-OG 3.22Å; V244-S247 PolarHBondContact O-N 2.98Å; S247-G249 VanDerWaalsContact C-N 3.35Å
248G98.1Very high98.6Very high58 Ų5878.4 Ų78.460%0.59844%0.438SS*.THydrogen-bonded Turntrans-85.10.2175.600000114.9V244 M245 E246V244-G248 PolarHBondContact O-N 3.06Å; V244-G248 VanDerWaalsContact O-N 3.14Å; M245-G248 PolarHBondContact O-N 2.95Å; E246-G248 PolarHBondContact O-N 3.2Å
249G98.4Very high98.6Very high23 Ų2381.5 Ų81.524%0.23745%0.448CS..THydrogen-bonded Turntrans69.334.6-177.300000113.5M245 E246 S247 R251 S252 L253M245-G249 PolarHBondContact O-N 3.36Å; E246-G249 PolarHBondContact O-N 2.96Å; S247-G249 VanDerWaalsContact C-N 3.35Å; G249-R251 PolarHBondContact O-N 3.08Å; G249-R251 VanDerWaalsContact O-N 3.15Å; G249-S252 PolarHBondContact O-N 3.13Å; G249-S252 VanDerWaalsContact O-N 3.1Å; G249-S252 PolarHBondContact O-OG 3.1Å; G249-L253 PolarHBondContact O-N 3.39Å
250F98.6Very high98.6Very high101 Ų10181 Ų8144%0.44346%0.455SS..Hα-helixtrans-51.7-41.9-176.7179.3-102.9000113.4M245 L254M245-F250 HydrophobicContact CB-CB 4.04Å; M245-F250 HydrophobicContact CB-CG 4.41Å; M245-F250 WeakPolarHBondContact O-CB 3.37Å; M245-F250 PolarHBondContact O-N 2.86Å; F250-L254 HydrophobicContact CD1-CD1 4.24Å; F250-L254 HydrophobicContact CE1-CD1 3.62Å; F250-L254 HydrophobicContact CZ-CD1 3.83Å; F250-L254 PolarHBondContact O-N 3.45Å
251R98.6Very high98.6Very high131 Ų13176.4 Ų76.449%0.49444%0.436SS..Hα-helixtrans-65.9-43.4179.2-62.1-179.8-174.3-85.2-10112.8E246 G249 L253 L254 I255E246-R251 IonicContact OE1-CZ 3.26Å; E246-R251 IonicContact OE1-NE 3.94Å; E246-R251 PolarHBondContact OE1-NE 3.05Å; E246-R251 IonicContact OE1-NH2 3.36Å; E246-R251 PolarHBondContact OE1-NH2 2.9Å; E246-R251 IonicContact OE2-NE 2.71Å; E246-R251 PolarHBondContact OE2-NE 3.35Å; G249-R251 PolarHBondContact O-N 3.08Å; G249-R251 VanDerWaalsContact O-N 3.15Å; R251-L253 VanDerWaalsContact C-N 3.29Å; R251-L253 PolarHBondContact O-N 3.22Å; R251-L254 PolarHBondContact O-N 3.09Å; R251-I255 WeakPolarHBondContact O-CG1 3.2Å; R251-I255 PolarHBondContact O-N 3.3Å; R251-I255 VanDerWaalsContact O-N 3.08Å
252S98.7Very high98.5Very high57 Ų5774.6 Ų74.640%0.39942%0.421SS..Hα-helixtrans-66.6-35.1-17859.40000111.2G249 L254 I255 N256G249-S252 PolarHBondContact O-N 3.13Å; G249-S252 VanDerWaalsContact O-N 3.1Å; G249-S252 PolarHBondContact O-OG 3.1Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-L254 PolarHBondContact O-N 3.31Å; S252-I255 PolarHBondContact O-N 3.44Å; S252-N256 WeakPolarHBondContact O-CB 3.46Å; S252-N256 PolarHBondContact O-N 3.27Å; S252-N256 PolarHBondContact O-ND2 2.96Å; S252-N256 PolarHBondContact O-OD1 2.95Å
253L98.7Very high98.4Very high111 Ų11175.9 Ų75.958%0.58143%0.43SS*.Hα-helixtrans-61.2-41.6174.6-65.6177.1000112.7G249 R251 N256 A257G249-L253 PolarHBondContact O-N 3.39Å; R251-L253 VanDerWaalsContact C-N 3.29Å; R251-L253 PolarHBondContact O-N 3.22Å; L253-N256 PolarHBondContact O-N 3.01Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.34Å
254L98.8Very high98.2Very high77 Ų7774.8 Ų74.840%0.40342%0.42SS..Hα-helixtrans-67.6-41.2176.7-67.4174.8000112F250 R251 S252 A257 V258F250-L254 HydrophobicContact CD1-CD1 4.24Å; F250-L254 HydrophobicContact CE1-CD1 3.62Å; F250-L254 HydrophobicContact CZ-CD1 3.83Å; F250-L254 PolarHBondContact O-N 3.45Å; R251-L254 PolarHBondContact O-N 3.09Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-L254 PolarHBondContact O-N 3.31Å; L254-A257 PolarHBondContact O-N 3.08Å; L254-V258 WeakPolarHBondContact O-CG2 3.45Å; L254-V258 PolarHBondContact O-N 3.12Å; L254-V258 VanDerWaalsContact O-N 3.12Å
255I98.8Very high97.9Very high112 Ų11270 Ų7057%0.57439%0.391SS*.Hα-helixtrans-59.7-49.2175.1-67165000110R251 S252 A257 V258 E259R251-I255 WeakPolarHBondContact O-CG1 3.2Å; R251-I255 PolarHBondContact O-N 3.3Å; R251-I255 VanDerWaalsContact O-N 3.08Å; S252-I255 PolarHBondContact O-N 3.44Å; I255-A257 VanDerWaalsContact C-N 3.28Å; I255-A257 PolarHBondContact O-N 2.97Å; I255-V258 PolarHBondContact O-N 3.26Å; I255-E259 WeakPolarHBondContact O-CB 3.23Å; I255-E259 PolarHBondContact O-N 2.88Å
256N98.8Very high97.6Very high81 Ų8172.1 Ų72.143%0.43340%0.395SS..Hα-helixtrans-62.1-35.6179.3-66.3-6000112S252 L253 A260S252-N256 WeakPolarHBondContact O-CB 3.46Å; S252-N256 PolarHBondContact O-N 3.27Å; S252-N256 PolarHBondContact O-ND2 2.96Å; S252-N256 PolarHBondContact O-OD1 2.95Å; L253-N256 PolarHBondContact O-N 3.01Å; N256-A260 VanDerWaalsContact O-CB 3.24Å; N256-A260 WeakPolarHBondContact O-CB 3.48Å; N256-A260 PolarHBondContact O-N 3.42Å
257A98.7Very high97.2Very high32 Ų3272.1 Ų72.126%0.26440%0.395SS..Hα-helixtrans-65.8-44.8177.300000112Y180 L253 L254 I255 S261Y180-A257 HydrophobicContact CE1-CB 4.17Å; Y180-A257 PolarHBondContact OH-O 3.5Å; L253-A257 WeakPolarHBondContact O-CB 3.33Å; L253-A257 PolarHBondContact O-N 3.34Å; L254-A257 PolarHBondContact O-N 3.08Å; I255-A257 VanDerWaalsContact C-N 3.28Å; I255-A257 PolarHBondContact O-N 2.97Å; A257-S261 WeakPolarHBondContact O-CB 3.45Å; A257-S261 PolarHBondContact O-N 2.95Å
258V98.7Very high96.4Very high41 Ų4170.7 Ų70.725%0.24838%0.38CS..Hα-helixtrans-63.5-46.1176173.50000110.4L173 Y180 L254 I255 S261 C262L173-V258 HydrophobicContact CD1-CG2 4.2Å; Y180-V258 HydrophobicContact CE2-CG2 4.35Å; L254-V258 WeakPolarHBondContact O-CG2 3.45Å; L254-V258 PolarHBondContact O-N 3.12Å; L254-V258 VanDerWaalsContact O-N 3.12Å; I255-V258 PolarHBondContact O-N 3.26Å; V258-S261 PolarHBondContact O-N 3.34Å; V258-C262 WeakPolarHBondContact O-CB 3.43Å; V258-C262 PolarHBondContact O-N 3.23Å
259E98.8Very high95.7Very high120 Ų12070 Ų7056%0.56136%0.361SS*.Hα-helixtrans-58-53.4176.7-179.7-179.4-13600111.3I255 S261 C262 V263I255-E259 WeakPolarHBondContact O-CB 3.23Å; I255-E259 PolarHBondContact O-N 2.88Å; E259-S261 VanDerWaalsContact C-N 3.28Å; E259-S261 PolarHBondContact O-N 2.84Å; E259-C262 PolarHBondContact O-N 2.9Å; E259-C262 VanDerWaalsContact O-N 3.13Å; E259-V263 HydrophobicContact CG-CG2 4.18Å; E259-V263 WeakPolarHBondContact O-CB 3.44Å; E259-V263 WeakPolarHBondContact O-CG2 3.39Å; E259-V263 PolarHBondContact O-N 3.29Å
260A98.6Very high95Very high62 Ų6274.6 Ų74.651%0.51238%0.375SS..Hα-helixtrans-59-40-178.700000112.1N256 R264N256-A260 VanDerWaalsContact O-CB 3.24Å; N256-A260 WeakPolarHBondContact O-CB 3.48Å; N256-A260 PolarHBondContact O-N 3.42Å; A260-R264 VanDerWaalsContact O-CB 3.24Å; A260-R264 WeakPolarHBondContact O-CB 3.4Å; A260-R264 PolarHBondContact O-N 3.4Å
261S97.4Very high93.9Very high21 Ų2173.1 Ų73.115%0.14737%0.371CS..Hα-helixtrans-67.6-40.9176.9-173.10000112.3G172 S176 A257 V258 E259 T265G172-S261 WeakPolarHBondContact CA-OG 3.45Å; S176-S261 PolarHBondContact OG-OG 3.46Å; A257-S261 WeakPolarHBondContact O-CB 3.45Å; A257-S261 PolarHBondContact O-N 2.95Å; V258-S261 PolarHBondContact O-N 3.34Å; E259-S261 VanDerWaalsContact C-N 3.28Å; E259-S261 PolarHBondContact O-N 2.84Å; S261-T265 PolarHBondContact O-N 2.88Å; S261-T265 VanDerWaalsContact O-N 3.1Å; S261-T265 PolarHBondContact O-OG1 3.09Å
262C97.4Very high92.6Very high12 Ų1268 Ų688%0.08136%0.356CS..Hα-helixtrans-65-50.4175.8177.40000111.3V258 E259 R264 T265 R266V258-C262 WeakPolarHBondContact O-CB 3.43Å; V258-C262 PolarHBondContact O-N 3.23Å; E259-C262 PolarHBondContact O-N 2.9Å; E259-C262 VanDerWaalsContact O-N 3.13Å; C262-R264 VanDerWaalsContact C-N 3.31Å; C262-R264 PolarHBondContact O-N 3.49Å; C262-T265 WeakPolarHBondContact O-CB 3.27Å; C262-T265 PolarHBondContact O-N 2.93Å; C262-R266 PolarHBondContact O-N 3.49Å; C262-R266 VanDerWaalsContact O-N 3.08Å
263V97.4Very high91.3Very high64 Ų6469.3 Ų69.339%0.38836%0.359SS..Hα-helixtrans-57.2-45.4177.5171.60000110.7E259 T265 R266 E267E259-V263 HydrophobicContact CG-CG2 4.18Å; E259-V263 WeakPolarHBondContact O-CB 3.44Å; E259-V263 WeakPolarHBondContact O-CG2 3.39Å; E259-V263 PolarHBondContact O-N 3.29Å; V263-T265 VanDerWaalsContact C-N 3.28Å; V263-T265 PolarHBondContact O-N 3.25Å; V263-R266 PolarHBondContact O-N 3.19Å; V263-E267 WeakPolarHBondContact O-CG 3.49Å; V263-E267 PolarHBondContact O-N 2.93Å
264R94.4Very high89.8Confident105 Ų10567.8 Ų67.840%0.39635%0.349SS..Hα-helixtrans-62.8-34.9177.6-177.656.2-178157.86.2112.8A260 C262 E267 L268A260-R264 VanDerWaalsContact O-CB 3.24Å; A260-R264 WeakPolarHBondContact O-CB 3.4Å; A260-R264 PolarHBondContact O-N 3.4Å; C262-R264 VanDerWaalsContact C-N 3.31Å; C262-R264 PolarHBondContact O-N 3.49Å; R264-E267 WeakPolarHBondContact CD-OE2 3.39Å; R264-E267 IonicContact CZ-OE2 3.35Å; R264-E267 IonicContact NE-OE2 3.5Å; R264-E267 IonicContact NH1-OE2 2.76Å; R264-E267 PolarHBondContact NH1-OE2 3.39Å; R264-E267 PolarHBondContact O-N 3.11Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 3.36Å
265T91.2Very high87.9Confident7 Ų771.8 Ų71.84%0.04337%0.366CS..Hα-helixtrans-64.8-44.2176.6-58.40000110.9A97 D168 T171 S261 C262 V263 E267 L268 Q269A97-T265 HydrophobicContact CB-CG2 4.41Å; D168-T265 HydrophobicContact CB-CG2 4.33Å; T171-T265 HydrophobicContact CG2-CG2 4.26Å; T171-T265 WeakPolarHBondContact CG2-OG1 3.46Å; S261-T265 PolarHBondContact O-N 2.88Å; S261-T265 VanDerWaalsContact O-N 3.1Å; S261-T265 PolarHBondContact O-OG1 3.09Å; C262-T265 WeakPolarHBondContact O-CB 3.27Å; C262-T265 PolarHBondContact O-N 2.93Å; V263-T265 VanDerWaalsContact C-N 3.28Å; V263-T265 PolarHBondContact O-N 3.25Å; T265-E267 PolarHBondContact O-N 3.46Å; T265-L268 WeakPolarHBondContact O-CB 3.47Å; T265-L268 PolarHBondContact O-N 3.49Å; T265-Q269 PolarHBondContact O-N 2.85Å
266R92.2Very high85.4Confident129 Ų12973.8 Ų73.849%0.48737%0.37SS..Hα-helixtrans-63-38.4173.9-67.9172.3178.5169.9-0.7112.8D168 C262 V263 Q269 F270D168-R266 HydrophobicContact CB-CG 4.22Å; D168-R266 VanDerWaalsContact OD2-CG 3.27Å; D168-R266 WeakPolarHBondContact OD2-CG 3.24Å; D168-R266 IonicContact OD2-NE 2.86Å; C262-R266 PolarHBondContact O-N 3.49Å; C262-R266 VanDerWaalsContact O-N 3.08Å; V263-R266 PolarHBondContact O-N 3.19Å; R266-Q269 WeakPolarHBondContact O-CB 3.43Å; R266-Q269 PolarHBondContact O-N 3.42Å; R266-F270 WeakPolarHBondContact O-CB 3.36Å; R266-F270 PolarHBondContact O-N 3Å
267E90.3Very high83Confident82 Ų8271.9 Ų71.938%0.38336%0.36SS..Hα-helixtrans-63.1-41.6173.5-71.3179.3176.600112.1V263 R264 T265 Q269 F270 L271V263-E267 WeakPolarHBondContact O-CG 3.49Å; V263-E267 PolarHBondContact O-N 2.93Å; R264-E267 WeakPolarHBondContact CD-OE2 3.39Å; R264-E267 IonicContact CZ-OE2 3.35Å; R264-E267 IonicContact NE-OE2 3.5Å; R264-E267 IonicContact NH1-OE2 2.76Å; R264-E267 PolarHBondContact NH1-OE2 3.39Å; R264-E267 PolarHBondContact O-N 3.11Å; T265-E267 PolarHBondContact O-N 3.46Å; E267-Q269 VanDerWaalsContact C-N 3.33Å; E267-F270 PolarHBondContact O-N 3.06Å; E267-L271 WeakPolarHBondContact O-CB 3.46Å; E267-L271 VanDerWaalsContact O-CG 3.24Å; E267-L271 WeakPolarHBondContact O-CG 3.41Å; E267-L271 PolarHBondContact O-N 3.43Å
268L82.8Confident80.3Confident58 Ų5873.5 Ų73.530%0.30437%0.369SS..Hα-helixtrans-64.1-39.8178.4-73.3172.1000111.6R264 T265 L271 A272R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 3.36Å; T265-L268 WeakPolarHBondContact O-CB 3.47Å; T265-L268 PolarHBondContact O-N 3.49Å; L268-L271 PolarHBondContact O-N 3.17Å; L268-A272 WeakPolarHBondContact O-CB 3.33Å; L268-A272 PolarHBondContact O-N 3.22Å
269Q83.3Confident77.7Confident43 Ų4376.2 Ų76.220%0.20139%0.387CS..Hα-helixtrans-57.6-55.6171.6177.5176-1200111.2G98 T100 T265 R266 E267 L271 A272 D273G98-Q269 WeakPolarHBondContact O-CA 3.41Å; G98-Q269 WeakPolarHBondContact O-CB 3.34Å; G98-Q269 WeakPolarHBondContact O-CG 3.42Å; T100-Q269 HydrophobicContact CG2-CG 4.19Å; T265-Q269 PolarHBondContact O-N 2.85Å; R266-Q269 WeakPolarHBondContact O-CB 3.43Å; R266-Q269 PolarHBondContact O-N 3.42Å; E267-Q269 VanDerWaalsContact C-N 3.33Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 3.05Å; Q269-A272 WeakPolarHBondContact O-CA 3.5Å; Q269-A272 WeakPolarHBondContact O-CB 3.48Å; Q269-A272 PolarHBondContact O-N 3.47Å; Q269-D273 PolarHBondContact O-N 3.12Å
270F82.6Confident75.3Confident121 Ų12174 Ų7453%0.53139%0.39SS..Hα-helixtrans-57.3-39.5-178.7179.3-99.3000112.7R266 E267 Q274R266-F270 WeakPolarHBondContact O-CB 3.36Å; R266-F270 PolarHBondContact O-N 3Å; E267-F270 PolarHBondContact O-N 3.06Å; F270-Q274 VanDerWaalsContact CE1-NE2 3.29Å; F270-Q274 WeakPolarHBondContact O-CG 3.48Å; F270-Q274 PolarHBondContact O-N 3.44Å
271L76.2Confident73Confident70 Ų7073.1 Ų73.137%0.36638%0.382SS..Hα-helixtrans-68.6-33.7176.5-70.1171.4000112.7E267 L268 Q269 I277E267-L271 WeakPolarHBondContact O-CB 3.46Å; E267-L271 VanDerWaalsContact O-CG 3.24Å; E267-L271 WeakPolarHBondContact O-CG 3.41Å; E267-L271 PolarHBondContact O-N 3.43Å; L268-L271 PolarHBondContact O-N 3.17Å; Q269-L271 VanDerWaalsContact C-N 3.26Å; Q269-L271 PolarHBondContact O-N 3.05Å; L271-I277 HydrophobicContact CB-CD1 4.08Å
272A70.1Confident70.7Confident22 Ų2274.7 Ų74.718%0.18239%0.388CS..Hα-helixtrans-70-42.5175.600000111.5L268 Q269 Q274 E275L268-A272 WeakPolarHBondContact O-CB 3.33Å; L268-A272 PolarHBondContact O-N 3.22Å; Q269-A272 WeakPolarHBondContact O-CA 3.5Å; Q269-A272 WeakPolarHBondContact O-CB 3.48Å; Q269-A272 PolarHBondContact O-N 3.47Å; A272-Q274 VanDerWaalsContact C-N 3.26Å; A272-Q274 PolarHBondContact O-N 3.3Å; A272-E275 PolarHBondContact O-N 2.93Å
273D71.9Confident68.3Low85 Ų8582.9 Ų82.946%0.45542%0.423SS..Hα-helixtrans-64.2-29-179.4-69-24.3000113.1Q269 E275Q269-D273 PolarHBondContact O-N 3.12Å; D273-E275 VanDerWaalsContact C-N 3.28Å; D273-E275 PolarHBondContact O-N 3.18Å
274Q68Low65.8Low80 Ų8086.7 Ų86.737%0.37443%0.434SS..THydrogen-bonded Turntrans-80.10.4179.4-71.6-160.63.100114.8F270 A272 K276F270-Q274 VanDerWaalsContact CE1-NE2 3.29Å; F270-Q274 WeakPolarHBondContact O-CG 3.48Å; F270-Q274 PolarHBondContact O-N 3.44Å; A272-Q274 VanDerWaalsContact C-N 3.26Å; A272-Q274 PolarHBondContact O-N 3.3Å; Q274-K276 HydrophobicContact CB-CB 4.21Å; Q274-K276 HydrophobicContact CB-CD 4.38Å; Q274-K276 HydrophobicContact CB-CG 4.28Å; Q274-K276 PolarHBondContact O-N 3.37Å; Q274-K276 VanDerWaalsContact OE1-NZ 3.15Å
275E57.7Low63.7Low160 Ų16085.3 Ų85.375%0.74844%0.438SS*.THydrogen-bonded Turntrans48.819.3-173-67.1-171.9160.100113.8A272 D273 I277A272-E275 PolarHBondContact O-N 2.93Å; D273-E275 VanDerWaalsContact C-N 3.28Å; D273-E275 PolarHBondContact O-N 3.18Å; E275-I277 PolarHBondContact O-N 2.78Å
276K47.3Very low61.6Low154 Ų15488.8 Ų88.867%0.6746%0.459SS*.  trans-87.925.1-172.6-91-174.4-170.3161.30113.8Q274Q274-K276 HydrophobicContact CB-CB 4.21Å; Q274-K276 HydrophobicContact CB-CD 4.38Å; Q274-K276 HydrophobicContact CB-CG 4.28Å; Q274-K276 PolarHBondContact O-N 3.37Å; Q274-K276 VanDerWaalsContact OE1-NZ 3.15Å
277I47.6Very low59.4Low42 Ų4286.7 Ų86.722%0.21546%0.457CS..  trans-115.2101.2-175.2-53.7-177.8000110.2H73 L271 E275 I282H73-I277 HydrophobicContact CB-CD1 4.14Å; H73-I277 HydrophobicContact CB-CG2 4.35Å; L271-I277 HydrophobicContact CB-CD1 4.08Å; E275-I277 PolarHBondContact O-N 2.78Å; I277-I282 HydrophobicContact CG2-CD1 3.43Å; I277-I282 VanDerWaalsContact CG2-CD1 3.43Å; I277-I282 HydrophobicContact CG2-CG1 3.8Å
278S42.2Very low57.3Low65 Ų6586 Ų8646%0.45546%0.456SS..  trans-75.4139.1151.983.20000108.7A280 A281S278-A280 PolarHBondContact O-N 3.44Å; S278-A281 WeakPolarHBondContact O-CB 3.24Å; S278-A281 PolarHBondContact O-N 3.26Å; S278-A281 PolarHBondContact OG-N 3.15Å
279P45.1Very low55.7Low98 Ų9889.8 Ų89.864%0.63647%0.47SS*.Hα-helixtrans-54.3-25.2176.8-2733.6000113.9
280A47.9Very low53.9Low75 Ų7590.7 Ų90.762%0.6248%0.478SS*.Hα-helixtrans-73.9-28.9177.500000113.6S278 I282S278-A280 PolarHBondContact O-N 3.44Å; A280-I282 VanDerWaalsContact C-N 3.32Å; A280-I282 PolarHBondContact O-N 3.28Å
281A49.2Very low52.1Low42 Ų4288.1 Ų88.135%0.34747%0.469SS..Hα-helixtrans-69.4-29.1-176.300000112.9S278 K284 T285S278-A281 WeakPolarHBondContact O-CB 3.24Å; S278-A281 PolarHBondContact O-N 3.26Å; S278-A281 PolarHBondContact OG-N 3.15Å; A281-K284 PolarHBondContact O-N 3.06Å; A281-T285 PolarHBondContact O-N 3.15Å; A281-T285 PolarHBondContact O-OG1 3.17Å
282I49.7Very low50.7Low54 Ų5492.1 Ų92.128%0.27749%0.487SS..Hα-helixtrans-71.3-41.2-176.8-65.2169.4000112.1H73 I277 A280 K284 T286H73-I282 HydrophobicContact CB-CD1 4.36Å; I277-I282 HydrophobicContact CG2-CD1 3.43Å; I277-I282 VanDerWaalsContact CG2-CD1 3.43Å; I277-I282 HydrophobicContact CG2-CG1 3.8Å; A280-I282 VanDerWaalsContact C-N 3.32Å; A280-I282 PolarHBondContact O-N 3.28Å; I282-K284 PolarHBondContact O-N 3.4Å; I282-T286 WeakPolarHBondContact O-CB 3.47Å; I282-T286 PolarHBondContact O-N 2.84Å; I282-T286 VanDerWaalsContact O-N 3.17Å; I282-T286 PolarHBondContact O-OG1 3.43Å
283K46.3Very low49.4Very low185 Ų18596.9 Ų96.980%0.80451%0.505SS*.Hα-helixtrans-61.7-33.4176.9-97.8-174.5177.1179.80111.8L287K283-L287 WeakPolarHBondContact O-CB 3.43Å
284K46.7Very low47.6Very low144 Ų14499.5 Ų99.563%0.62653%0.526SS*.Hα-helixtrans-81.9-47.7-176.4-149.9176179.9-178.10112.2A281 I282 T286 L287 D288A281-K284 PolarHBondContact O-N 3.06Å; I282-K284 PolarHBondContact O-N 3.4Å; K284-T286 PolarHBondContact O-N 3.1Å; K284-L287 PolarHBondContact O-N 3.24Å; K284-D288 WeakPolarHBondContact O-CB 3.33Å; K284-D288 PolarHBondContact O-N 3.46Å
285T48.9Very low46.7Very low76 Ų7699.4 Ų99.447%0.46655%0.547SS..Hα-helixtrans-67.3-32.7179.4340000114A281 K289A281-T285 PolarHBondContact O-N 3.15Å; A281-T285 PolarHBondContact O-OG1 3.17Å; T285-K289 WeakPolarHBondContact O-CB 3.5Å; T285-K289 WeakPolarHBondContact O-CG 3.37Å; T285-K289 PolarHBondContact O-N 2.85Å; T285-K289 VanDerWaalsContact O-N 3.16Å
286T48.4Very low45.8Very low80 Ų8094 Ų9449%0.49153%0.525SS..Hα-helixtrans-70.5-35.5176-43.50000111.1I282 K284 V290I282-T286 WeakPolarHBondContact O-CB 3.47Å; I282-T286 PolarHBondContact O-N 2.84Å; I282-T286 VanDerWaalsContact O-N 3.17Å; I282-T286 PolarHBondContact O-OG1 3.43Å; K284-T286 PolarHBondContact O-N 3.1Å; T286-V290 WeakPolarHBondContact O-CB 3.21Å; T286-V290 WeakPolarHBondContact O-CG2 3.36Å; T286-V290 PolarHBondContact O-N 3.44Å
287L44.8Very low45.7Very low85 Ų8591.2 Ų91.245%0.44552%0.521SS..Hα-helixtrans-73.7-45.9176.8-162.579.5000111.3K283 K284 K289 V290 L291K283-L287 WeakPolarHBondContact O-CB 3.43Å; K284-L287 PolarHBondContact O-N 3.24Å; L287-K289 PolarHBondContact O-N 3.28Å; L287-V290 PolarHBondContact O-N 3.39Å; L287-L291 HydrophobicContact CD2-CD1 4.22Å; L287-L291 HydrophobicContact CG-CD1 3.89Å; L287-L291 HydrophobicContact CG-CG 4.49Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.43Å; L287-L291 PolarHBondContact O-N 3.01Å
288D46.2Very low45.6Very low68 Ų6892.6 Ų92.636%0.36454%0.539SS..Hα-helixtrans-66-36.4-176.4-67.1-20.8000112K284 Q292K284-D288 WeakPolarHBondContact O-CB 3.33Å; K284-D288 PolarHBondContact O-N 3.46Å; D288-Q292 VanDerWaalsContact O-CG 3.23Å; D288-Q292 WeakPolarHBondContact O-CG 3.43Å; D288-Q292 PolarHBondContact O-N 2.94Å
289K49.8Very low45.5Very low136 Ų13696.9 Ų96.959%0.59156%0.557SS**Hα-helixtrans-74.9-29.6175.9-73.2-172.7175.1-170.60113.5T285 L287T285-K289 WeakPolarHBondContact O-CB 3.5Å; T285-K289 WeakPolarHBondContact O-CG 3.37Å; T285-K289 PolarHBondContact O-N 2.85Å; T285-K289 VanDerWaalsContact O-N 3.16Å; L287-K289 PolarHBondContact O-N 3.28Å
290V46.2Very low45.4Very low63 Ų6396 Ų9638%0.38256%0.557SS.*Hα-helixtrans-74.9-37175.2169.20000111T286 L287 Q292 Q293 V296T286-V290 WeakPolarHBondContact O-CB 3.21Å; T286-V290 WeakPolarHBondContact O-CG2 3.36Å; T286-V290 PolarHBondContact O-N 3.44Å; L287-V290 PolarHBondContact O-N 3.39Å; V290-Q292 VanDerWaalsContact C-N 3.29Å; V290-Q292 PolarHBondContact O-N 3.36Å; V290-Q293 PolarHBondContact O-N 2.91Å; V290-V296 HydrophobicContact CG1-CG1 4.22Å
291L43.8Very low45.2Very low66 Ų6695.8 Ų95.835%0.34655%0.548SS..Hα-helixtrans-73.3-17.7175.5-69.6170.3000113.7L287 Q293 V296L287-L291 HydrophobicContact CD2-CD1 4.22Å; L287-L291 HydrophobicContact CG-CD1 3.89Å; L287-L291 HydrophobicContact CG-CG 4.49Å; L287-L291 WeakPolarHBondContact O-CB 3.42Å; L287-L291 VanDerWaalsContact O-CG 3.28Å; L287-L291 WeakPolarHBondContact O-CG 3.43Å; L287-L291 PolarHBondContact O-N 3.01Å; L291-Q293 VanDerWaalsContact C-N 3.31Å; L291-V296 HydrophobicContact CD2-CG1 4.49Å
292Q47.7Very low44.7Very low155 Ų15597.7 Ų97.772%0.72457%0.572SS**THydrogen-bonded Turntrans-83-4.4174.1-77.7175.99.400113.5D288 V290D288-Q292 VanDerWaalsContact O-CG 3.23Å; D288-Q292 WeakPolarHBondContact O-CG 3.43Å; D288-Q292 PolarHBondContact O-N 2.94Å; V290-Q292 VanDerWaalsContact C-N 3.29Å; V290-Q292 PolarHBondContact O-N 3.36Å
293Q42.4Very low44.2Very low122 Ų122100.2 Ų100.257%0.5759%0.59SS**SBendtrans-80.2131.9170.8-65.7-174.1-7.500109.9V290 L291 G295V290-Q293 PolarHBondContact O-N 2.91Å; L291-Q293 VanDerWaalsContact C-N 3.31Å; Q293-G295 PolarHBondContact O-N 3.14Å
294P34Very low43.7Very low139 Ų139103.2 Ų103.290%0.90360%0.596SS**THydrogen-bonded Turntrans-6311218023.4-30.1000110.1
295G48.1Very low43.3Very low79 Ų79102.5 Ų102.581%0.81460%0.604SS**THydrogen-bonded Turntrans126-3.4174.600000116.8Q293Q293-G295 PolarHBondContact O-N 3.14Å
296V39.5Very low42.5Very low47 Ų47110.6 Ų110.629%0.28563%0.626SS.*  trans-110.9108.9-179.7-172.30000110.8V290 L291 V301V290-V296 HydrophobicContact CG1-CG1 4.22Å; L291-V296 HydrophobicContact CD2-CG1 4.49Å; V296-V301 HydrophobicContact CG1-CG2 4.46Å
297T44.9Very low41.7Very low94 Ų94110.4 Ų110.458%0.57764%0.64SS**  trans-97.5153.6171.857.20000111.3D299 A300T297-D299 PolarHBondContact O-N 3.36Å; T297-D299 VanDerWaalsContact O-N 3.08Å; T297-A300 WeakPolarHBondContact O-CB 3.3Å; T297-A300 PolarHBondContact O-N 3.26Å
298A46.6Very low41Very low71 Ų71114.3 Ų114.359%0.58766%0.66SS**G310 helixtrans-56.7-26-177.300000113.9A300 V301A298-A300 VanDerWaalsContact C-N 3.32Å; A298-A300 PolarHBondContact O-N 2.73Å; A298-V301 PolarHBondContact O-N 3.14Å
299D39.5Very low40.3Very low156 Ų156116.2 Ų116.283%0.83468%0.679SS**G310 helixtrans-72.2-21.6177.9-68.4-36.8000113.7T297 V301T297-D299 PolarHBondContact O-N 3.36Å; T297-D299 VanDerWaalsContact O-N 3.08Å; D299-V301 VanDerWaalsContact C-N 3.27Å; D299-V301 PolarHBondContact O-N 3.22Å
300A41.9Very low39.4Very low79 Ų79116.6 Ų116.665%0.65369%0.686SS**G310 helixtrans-74.6-19.2177.500000112.8T297 A298T297-A300 WeakPolarHBondContact O-CB 3.3Å; T297-A300 PolarHBondContact O-N 3.26Å; A298-A300 VanDerWaalsContact C-N 3.32Å; A298-A300 PolarHBondContact O-N 2.73Å
301V43.6Very low38.6Very low70 Ų70121.9 Ų121.942%0.42470%0.704SS.*SBendtrans-112.785.7-179.4-170.40000107V296 A298 D299 V303V296-V301 HydrophobicContact CG1-CG2 4.46Å; A298-V301 PolarHBondContact O-N 3.14Å; D299-V301 VanDerWaalsContact C-N 3.27Å; D299-V301 PolarHBondContact O-N 3.22Å; V301-V303 VanDerWaalsContact C-N 3.34Å; V301-V303 WeakPolarHBondContact O-CG2 3.35Å; V301-V303 PolarHBondContact O-N 2.98Å
302G40Very low37.9Very low83 Ų83124.8 Ų124.886%0.85672%0.72SS**  trans-50.882.6-169.100000116.1
303V39.3Very low37.1Very low106 Ų106123.8 Ų123.864%0.64272%0.72SS**  trans-117.5103.1175.2179.20000108V301 T305V301-V303 VanDerWaalsContact C-N 3.34Å; V301-V303 WeakPolarHBondContact O-CG2 3.35Å; V301-V303 PolarHBondContact O-N 2.98Å; V303-T305 PolarHBondContact O-N 3.42Å; V303-T305 VanDerWaalsContact O-N 3.15Å
304R36.5Very low36.5Very low248 Ų248124.9 Ų124.994%0.93674%0.735SS**  trans-70.4103.7165.3-79.6-177.7174.4179-1.7108.9R306R304-R306 PolarHBondContact O-N 2.9Å
305T36.6Very low36.6Very low130 Ų130125 Ų12580%0.79873%0.728SS**  trans-68.6106.5165.630.40000109.2V303 G307V303-T305 PolarHBondContact O-N 3.42Å; V303-T305 VanDerWaalsContact O-N 3.15Å; T305-G307 PolarHBondContact O-N 3.3Å
306R33.3Very low36.3Very low245 Ų245126.8 Ų126.893%0.92573%0.725SS**  trans-68.8110.8164.6-81.5-176.1178.1179.4-0.2108R304 L308R304-R306 PolarHBondContact O-N 2.9Å; R306-L308 PolarHBondContact O-N 2.98Å
307G31.2Very low36.1Very low76 Ų76135.2 Ų135.278%0.78475%0.752SS**  trans-64.4126.7176.200000111.8T305 S309T305-G307 PolarHBondContact O-N 3.3Å; G307-S309 PolarHBondContact O-N 3.19Å
308L29.8Very low35.6Very low167 Ų167138.3 Ų138.387%0.87476%0.763SS**  trans-77111.6161.7-88143.5000107.9R306R306-L308 PolarHBondContact O-N 2.98Å
309S31.1Very low35Very low108 Ų108143.5 Ų143.576%0.75577%0.773SS**  trans-85.6121170.4165.40000109.5G307G307-S309 PolarHBondContact O-N 3.19Å
310I30.6Very low34.9Very low144 Ų144144.9 Ų144.974%0.73877%0.771SS**  trans-132.6102.2166.6-51.5178.5000107.6
311F31.3Very low34.8Very low174 Ų174152 Ų15276%0.76380%0.799SS**  trans18145.9144-71.4-79.7000119.4
312N28.9Very low34.4Very low128 Ų128156.2 Ų156.268%0.68482%0.817SS**  cis-173155.6-3.7-142.3-0000107.1
313N29.7Very low34.1Very low134 Ų134160 Ų16072%0.71782%0.815SS**  trans53116.1151-98.6-14.4000121.7
314T31Very low33.8Very low144 Ų144163 Ų16388%0.88383%0.825SS**  -163.9116.1113.419.70000109.8
315N35.1Very low33.7Very low142 Ų142158 Ų15876%0.75982%0.818SS**  trans-81.6147.2159.4-124.6-24.2000107.1
316P41.7Very low33.5Very low117 Ų117159.8 Ų159.876%0.7682%0.82SS**  -145.2152.383.533.7-15.3000116.1
317R34.9Very low33.5Very low224 Ų224154.1 Ų154.185%0.84581%0.813SS**  trans4.6136.3144.8-58.4174.7169.5177.8-3.5115.5
318I35.2Very low33.7Very low158 Ų158159.6 Ų159.681%0.8182%0.815SS**  -174.7131.685.1-83.3159.1000110.6
319K34.2Very low34Very low180 Ų180159.1 Ų159.178%0.78381%0.81SS**  trans25.7135.3146.4-65.7178.8174.4175.50123.5
320K38.2Very low34.2Very low185 Ų185163.3 Ų163.380%0.80482%0.815SS**  47.2131.8126.4-62.9-171.6174.3-170.10117.7
321N39.7Very low34.5Very low230 Ų230165.1 Ų165.1100%1.2382%0.822SS**  cis-137.7032.5-79.1-37.7000111.1

Retrieved 321 of 321 residues in 87.1 ms (Link to these results)

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