A0A061I0I1_CRIGR Loading...

Pyrroline-5-carboxylate reductase

AlphaFold DB , UniProt , Accession A0A061I0I1, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pycr1, Length 319 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
1M93Very high96.4Very high93 Ų9329 Ų2946%0.45816%0.163SC..  01140-165.7170.672.400109.9L25 D64 V65 L148 L152M1-L25 HydrophobicContact CE-CD2 3.96Å; M1-D64 WeakPolarHBondContact CA-OD2 3.39Å; M1-D64 HydrophobicContact CG-CB 4.45Å; M1-D64 PolarHBondContact N-OD2 3.22Å; M1-V65 HydrophobicContact CG-CG2 4.35Å; M1-V65 HydrophobicContact SD-CG2 4Å; M1-L148 HydrophobicContact CE-CD1 4.43Å; M1-L148 HydrophobicContact SD-CD1 3.73Å; M1-L148 HydrophobicContact SD-CD2 3.87Å; M1-L148 HydrophobicContact SD-CG 4.08Å; M1-L152 HydrophobicContact CE-CD1 4.22Å
2S97.8Very high96.4Very high16 Ų1626.6 Ų26.611%0.11215%0.15CC..  trans-107.9147165.8-60.20000109.2K29 H62 D64 V65S2-K29 WeakPolarHBondContact CA-O 3.29Å; S2-H62 WeakPolarHBondContact CB-O 3.33Å; S2-H62 PolarHBondContact OG-O 3.12Å; S2-D64 PolarHBondContact N-OD2 3.38Å; S2-D64 PolarHBondContact O-N 3.4Å; S2-V65 PolarHBondContact O-N 3.33Å
3V98.6Very high96.5Very high0 Ų027.5 Ų27.50%015%0.151CC..EExtended strand (participates in β ladder)trans-119.9131.8-177.8175.70000110.9F5 L25 K29 I30 M31 V65 F67 L152V3-F5 HydrophobicContact CG1-CD2 4.44Å; V3-F5 HydrophobicContact CG1-CE2 3.85Å; V3-F5 HydrophobicContact CG1-CZ 4.09Å; V3-L25 HydrophobicContact CB-CD1 3.99Å; V3-L25 HydrophobicContact CG2-CD1 3.39Å; V3-L25 HydrophobicContact CG2-CD2 4.25Å; V3-L25 HydrophobicContact CG2-CG 4.48Å; V3-K29 PolarHBondContact N-O 2.96Å; V3-I30 CarbonylContact O-C 3.56Å; V3-I30 VanDerWaalsContact O-CA 3.28Å; V3-I30 WeakPolarHBondContact O-CA 3.23Å; V3-M31 PolarHBondContact O-N 3.1Å; V3-V65 WeakPolarHBondContact CA-O 3.47Å; V3-V65 HydrophobicContact CG2-CB 4.34Å; V3-F67 HydrophobicContact CG1-CD2 3.6Å; V3-F67 HydrophobicContact CG1-CE2 3.63Å; V3-L152 HydrophobicContact CG2-CD2 4.35Å
4G98.6Very high96.4Very high0 Ų025.9 Ų25.90%014%0.143CC..EExtended strand (participates in β ladder)trans-110.5144178.300000112.1M31 S63 V65 F67G4-M31 CarbonylContact C-O 3.55Å; G4-M31 VanDerWaalsContact CA-O 3.29Å; G4-M31 WeakPolarHBondContact CA-O 3.49Å; G4-S63 WeakPolarHBondContact CA-OG 3.3Å; G4-S63 PolarHBondContact N-OG 2.91Å; G4-S63 VanDerWaalsContact N-OG 3.07Å; G4-V65 PolarHBondContact N-O 3.11Å; G4-F67 PolarHBondContact O-N 2.64Å
5F98.6Very high96.5Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-121.7115.4168.2-66.1-85.5000109.6V3 G7 A12 L15 A16 F19 I30 M31 A32 S33 F67 A69V3-F5 HydrophobicContact CG1-CD2 4.44Å; V3-F5 HydrophobicContact CG1-CE2 3.85Å; V3-F5 HydrophobicContact CG1-CZ 4.09Å; F5-G7 PolarHBondContact O-N 3.13Å; F5-A12 HydrophobicContact CB-CB 4.03Å; F5-A12 HydrophobicContact CD1-CB 3.88Å; F5-A12 HydrophobicContact CG-CB 4.01Å; F5-L15 HydrophobicContact CE1-CB 3.82Å; F5-L15 HydrophobicContact CE1-CD1 3.81Å; F5-L15 HydrophobicContact CE1-CG 4.48Å; F5-L15 HydrophobicContact CZ-CB 3.75Å; F5-L15 HydrophobicContact CZ-CD1 4.49Å; F5-A16 HydrophobicContact CE2-CB 4.22Å; F5-F19 HydrophobicContact CZ-CD2 4.3Å; F5-F19 AromaticContact CZ-CE2 3.97Å; F5-F19 HydrophobicContact CZ-CE2 3.97Å; F5-I30 HydrophobicContact CD2-CG2 3.72Å; F5-I30 HydrophobicContact CE2-CG2 3.57Å; F5-M31 PolarHBondContact N-O 3.1Å; F5-A32 HydrophobicContact CB-CB 3.94Å; F5-A32 CarbonylContact O-C 3.19Å; F5-A32 VanDerWaalsContact O-CA 3.29Å; F5-A32 WeakPolarHBondContact O-CA 3.41Å; F5-S33 PolarHBondContact O-N 3Å; F5-S33 PolarHBondContact O-OG 3.14Å; F5-F67 WeakPolarHBondContact CA-O 3.2Å; F5-F67 HydrophobicContact CD1-CB 3.5Å; F5-F67 VanDerWaalsContact CD1-CB 3.5Å; F5-F67 HydrophobicContact CD1-CD2 4.28Å; F5-F67 HydrophobicContact CD1-CG 4.04Å; F5-F67 HydrophobicContact CE1-CB 3.72Å; F5-F67 HydrophobicContact CE1-CD1 4.4Å; F5-F67 AromaticContact CE1-CD2 3.78Å; F5-F67 HydrophobicContact CE1-CD2 3.78Å; F5-F67 AromaticContact CE1-CG 3.71Å; F5-F67 HydrophobicContact CE1-CG 3.71Å; F5-F67 HydrophobicContact CG-CB 4.35Å; F5-F67 HydrophobicContact CZ-CD2 4.08Å; F5-F67 HydrophobicContact CZ-CG 4.46Å; F5-A69 HydrophobicContact CD1-CB 4.48Å
6I98.3Very high96.6Very high1 Ų122.6 Ų22.61%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-84.3111.3162.7-65.2174.8000107.2N56 T59 V60 L66 F67 L68 A69 V70 I78 I82I6-N56 HydrophobicContact CD1-CB 4.25Å; I6-N56 HydrophobicContact CG1-CB 4.38Å; I6-T59 HydrophobicContact CG1-CG2 4.47Å; I6-V60 HydrophobicContact CD1-CG2 4.15Å; I6-L66 HydrophobicContact CD1-CD1 4.1Å; I6-L66 HydrophobicContact CD1-CD2 3.97Å; I6-L66 HydrophobicContact CD1-CG 4.31Å; I6-L66 HydrophobicContact CG1-CD1 4.02Å; I6-F67 PolarHBondContact N-O 3.15Å; I6-L68 HydrophobicContact CB-CD2 4.29Å; I6-L68 HydrophobicContact CD1-CD2 3.97Å; I6-A69 CarbonylContact O-C 3.28Å; I6-A69 WeakPolarHBondContact O-CA 3.31Å; I6-A69 PolarHBondContact O-N 3.25Å; I6-V70 HydrophobicContact CG2-CG1 4.09Å; I6-V70 WeakPolarHBondContact O-CG1 3.34Å; I6-I78 HydrophobicContact CD1-CG2 3.85Å; I6-I78 HydrophobicContact CG2-CD1 4.11Å; I6-I78 HydrophobicContact CG2-CG1 4.25Å; I6-I78 HydrophobicContact CG2-CG2 3.8Å; I6-I82 HydrophobicContact CD1-CD1 3.4Å; I6-I82 VanDerWaalsContact CD1-CD1 3.4Å; I6-I82 HydrophobicContact CD1-CG2 4.18Å
7G96.5Very high96.6Very high11 Ų1126.5 Ų26.511%0.11314%0.141CC..  trans103.5131.7-167.900000111.9F5 A12 S33F5-G7 PolarHBondContact O-N 3.13Å; G7-A12 WeakPolarHBondContact O-CB 3.49Å; G7-S33 CarbonylContact C-O 3.58Å; G7-S33 VanDerWaalsContact C-O 3.28Å; G7-S33 WeakPolarHBondContact CA-O 3.47Å; G7-S33 PolarHBondContact N-O 2.85Å
8A96.3Very high96.6Very high2 Ų225.1 Ų25.12%0.01713%0.133CC..  trans-115.335.6178.600000112.5A32 S33 T41 V42 L45A8-A32 HydrophobicContact CB-CB 4.45Å; A8-S33 PolarHBondContact N-O 2.9Å; A8-T41 WeakPolarHBondContact O-CB 3.31Å; A8-T41 PolarHBondContact O-OG1 2.87Å; A8-V42 HydrophobicContact CB-CG2 3.74Å; A8-L45 HydrophobicContact CB-CD1 3.87Å
9G94.6Very high96.7Very high27 Ų2723.7 Ų23.728%0.27813%0.126SC..SBendtrans-77.7-164.8179.800000113.9L11 A12 F13G9-L11 VanDerWaalsContact C-N 3.31Å; G9-L11 PolarHBondContact O-N 3.33Å; G9-A12 PolarHBondContact O-N 3.13Å; G9-F13 WeakPolarHBondContact O-CB 3.3Å; G9-F13 PolarHBondContact O-N 2.79Å
10Q93.6Very high96.7Very high130 Ų13024.4 Ų24.461%0.60713%0.131SC*.Hα-helixtrans-59.5-40.1179.7-67.3-62.7-25.300112.7F13 A14 T41Q10-F13 PolarHBondContact O-N 3.28Å; Q10-A14 VanDerWaalsContact O-CB 3.3Å; Q10-A14 WeakPolarHBondContact O-CB 3.15Å; Q10-A14 PolarHBondContact O-N 3.29Å; Q10-T41 HydrophobicContact CG-CG2 4.49Å
11L94.4Very high96.7Very high39 Ų3926.4 Ų26.420%0.20415%0.151CC..Hα-helixtrans-67.3-48.5-179.1179.460000112.1G9 F13 A14 L15 C95 T122G9-L11 VanDerWaalsContact C-N 3.31Å; G9-L11 PolarHBondContact O-N 3.33Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 3.06Å; L11-A14 PolarHBondContact O-N 2.9Å; L11-A14 VanDerWaalsContact O-N 3.15Å; L11-L15 HydrophobicContact CD1-CD1 4Å; L11-L15 HydrophobicContact CD1-CG 4.16Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 PolarHBondContact O-N 3.09Å; L11-C95 HydrophobicContact CD2-CB 3.57Å; L11-T122 HydrophobicContact CD1-CG2 3.5Å; L11-T122 HydrophobicContact CD2-CG2 4.45Å
12A96.6Very high96.9Very high0 Ų023.2 Ų23.20%014%0.139CC..Hα-helixtrans-59.5-42176.500000111.5F5 G7 G9 A16 A69F5-A12 HydrophobicContact CB-CB 4.03Å; F5-A12 HydrophobicContact CD1-CB 3.88Å; F5-A12 HydrophobicContact CG-CB 4.01Å; G7-A12 WeakPolarHBondContact O-CB 3.49Å; G9-A12 PolarHBondContact O-N 3.13Å; A12-A16 VanDerWaalsContact O-CB 3.23Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.26Å; A12-A69 HydrophobicContact CB-CB 4.21Å
13F96.9Very high96.8Very high38 Ų3825.6 Ų25.617%0.16717%0.166CC..Hα-helixtrans-60.4-46.9172.8171-103.1000112.6G9 Q10 L11 K17 T41 A44 L45 I48 V127G9-F13 WeakPolarHBondContact O-CB 3.3Å; G9-F13 PolarHBondContact O-N 2.79Å; Q10-F13 PolarHBondContact O-N 3.28Å; L11-F13 VanDerWaalsContact C-N 3.3Å; L11-F13 PolarHBondContact O-N 3.06Å; F13-K17 HydrophobicContact CE1-CD 4.29Å; F13-K17 HydrophobicContact CE2-CD 4.4Å; F13-K17 HydrophobicContact CZ-CD 3.81Å; F13-K17 VanDerWaalsContact O-CB 3.23Å; F13-K17 WeakPolarHBondContact O-CB 3.46Å; F13-K17 PolarHBondContact O-N 3.22Å; F13-T41 HydrophobicContact CB-CG2 4.44Å; F13-A44 HydrophobicContact CD2-CB 3.75Å; F13-A44 HydrophobicContact CE2-CB 3.37Å; F13-A44 HydrophobicContact CZ-CB 4.09Å; F13-L45 HydrophobicContact CB-CD2 4.48Å; F13-L45 HydrophobicContact CB-CG 4.47Å; F13-L45 HydrophobicContact CD2-CD2 4.3Å; F13-L45 HydrophobicContact CD2-CG 4.24Å; F13-I48 HydrophobicContact CD2-CD1 4.12Å; F13-I48 HydrophobicContact CE2-CD1 3.55Å; F13-I48 HydrophobicContact CZ-CD1 4.42Å; F13-V127 HydrophobicContact CE1-CG2 4.43Å
14A96.1Very high96.7Very high5 Ų528.9 Ų28.94%0.04119%0.186CC..Hα-helixtrans-61.7-45.5-17900000111.6Q10 L11 G18 V126 V127Q10-A14 VanDerWaalsContact O-CB 3.3Å; Q10-A14 WeakPolarHBondContact O-CB 3.15Å; Q10-A14 PolarHBondContact O-N 3.29Å; L11-A14 PolarHBondContact O-N 2.9Å; L11-A14 VanDerWaalsContact O-N 3.15Å; A14-G18 PolarHBondContact O-N 2.9Å; A14-V126 HydrophobicContact CB-CG2 3.57Å; A14-V127 HydrophobicContact CB-CB 4Å
15L97.5Very high96.6Very high0 Ų029.5 Ų29.50%019%0.189CC..Hα-helixtrans-67.6-48.6177.9-71.4171.1000112F5 L11 K17 G18 F19 F67 T122 V126 M153 V156F5-L15 HydrophobicContact CE1-CB 3.82Å; F5-L15 HydrophobicContact CE1-CD1 3.81Å; F5-L15 HydrophobicContact CE1-CG 4.48Å; F5-L15 HydrophobicContact CZ-CB 3.75Å; F5-L15 HydrophobicContact CZ-CD1 4.49Å; L11-L15 HydrophobicContact CD1-CD1 4Å; L11-L15 HydrophobicContact CD1-CG 4.16Å; L11-L15 HydrophobicContact CG-CD1 4.09Å; L11-L15 PolarHBondContact O-N 3.09Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.39Å; L15-G18 PolarHBondContact O-N 3.24Å; L15-G18 VanDerWaalsContact O-N 3.12Å; L15-F19 HydrophobicContact CB-CD2 4.42Å; L15-F19 HydrophobicContact CB-CE2 3.97Å; L15-F19 HydrophobicContact CB-CZ 4.33Å; L15-F19 HydrophobicContact CD2-CE1 4.47Å; L15-F19 HydrophobicContact CD2-CE2 4.47Å; L15-F19 HydrophobicContact CD2-CZ 3.98Å; L15-F19 WeakPolarHBondContact O-CB 3.43Å; L15-F19 VanDerWaalsContact O-CD2 3.29Å; L15-F19 WeakPolarHBondContact O-CD2 3.26Å; L15-F19 VanDerWaalsContact O-CG 3.26Å; L15-F19 WeakPolarHBondContact O-CG 3.41Å; L15-F19 PolarHBondContact O-N 2.91Å; L15-F67 HydrophobicContact CD1-CD1 4.4Å; L15-F67 HydrophobicContact CD1-CE1 4.49Å; L15-T122 HydrophobicContact CD2-CG2 4.48Å; L15-V126 HydrophobicContact CD2-CB 4.07Å; L15-V126 HydrophobicContact CD2-CG1 4.09Å; L15-V126 HydrophobicContact CD2-CG2 3.8Å; L15-V126 HydrophobicContact CG-CG2 4.13Å; L15-M153 HydrophobicContact CD2-CE 3.71Å; L15-M153 HydrophobicContact CD2-SD 4.12Å; L15-V156 HydrophobicContact CD2-CG2 4.29Å
16A97.5Very high96.5Very high0 Ų031.7 Ų31.70%021%0.208CC..Hα-helixtrans-59.6-41.6178.500000111.8F5 A12 T20 I30 L45 V50F5-A16 HydrophobicContact CE2-CB 4.22Å; A12-A16 VanDerWaalsContact O-CB 3.23Å; A12-A16 WeakPolarHBondContact O-CB 3.43Å; A12-A16 PolarHBondContact O-N 3.26Å; A16-T20 WeakPolarHBondContact O-CB 3.46Å; A16-T20 VanDerWaalsContact O-CG2 3.28Å; A16-T20 WeakPolarHBondContact O-CG2 3.48Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 VanDerWaalsContact O-N 3.12Å; A16-T20 PolarHBondContact O-OG1 3.34Å; A16-I30 HydrophobicContact CB-CD1 4.33Å; A16-I30 HydrophobicContact CB-CG2 4.33Å; A16-L45 HydrophobicContact CB-CD2 3.63Å; A16-V50 HydrophobicContact CB-CG2 4.18Å
17K96.9Very high96.5Very high89 Ų8932.6 Ų32.639%0.38722%0.215SC..Hα-helixtrans-66.9-41.6174.4-176.5169.7167.2-167.80112.1F13 L15 T20 A21 I48 V127F13-K17 HydrophobicContact CE1-CD 4.29Å; F13-K17 HydrophobicContact CE2-CD 4.4Å; F13-K17 HydrophobicContact CZ-CD 3.81Å; F13-K17 VanDerWaalsContact O-CB 3.23Å; F13-K17 WeakPolarHBondContact O-CB 3.46Å; F13-K17 PolarHBondContact O-N 3.22Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 3.39Å; K17-T20 WeakPolarHBondContact CA-OG1 3.13Å; K17-T20 PolarHBondContact O-OG1 3.08Å; K17-T20 VanDerWaalsContact O-OG1 3.04Å; K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 3.2Å; K17-I48 HydrophobicContact CB-CD1 3.89Å; K17-I48 HydrophobicContact CD-CD1 4.36Å; K17-I48 HydrophobicContact CG-CD1 4.19Å; K17-V127 HydrophobicContact CB-CG2 4.31Å; K17-V127 HydrophobicContact CD-CG2 3.67Å; K17-V127 HydrophobicContact CG-CG2 4.18Å
18G97.1Very high96.4Very high0 Ų037.4 Ų37.40%023%0.234CC..Hα-helixtrans-60.9-51.6176.800000112.1A14 L15 T20 A21 A22A14-G18 PolarHBondContact O-N 2.9Å; L15-G18 PolarHBondContact O-N 3.24Å; L15-G18 VanDerWaalsContact O-N 3.12Å; G18-T20 PolarHBondContact O-N 3.05Å; G18-A21 PolarHBondContact O-N 3.4Å; G18-A22 WeakPolarHBondContact O-CB 3.35Å; G18-A22 PolarHBondContact O-N 3.22Å
19F97.9Very high96.5Very high0 Ų041.6 Ų41.60%025%0.252CS..Hα-helixtrans-62.7-41.5-179.4-63.3-33.1000112.8F5 L15 A22 G23 V24 L25 F67 L152 M153 V156F5-F19 HydrophobicContact CZ-CD2 4.3Å; F5-F19 AromaticContact CZ-CE2 3.97Å; F5-F19 HydrophobicContact CZ-CE2 3.97Å; L15-F19 HydrophobicContact CB-CD2 4.42Å; L15-F19 HydrophobicContact CB-CE2 3.97Å; L15-F19 HydrophobicContact CB-CZ 4.33Å; L15-F19 HydrophobicContact CD2-CE1 4.47Å; L15-F19 HydrophobicContact CD2-CE2 4.47Å; L15-F19 HydrophobicContact CD2-CZ 3.98Å; L15-F19 WeakPolarHBondContact O-CB 3.43Å; L15-F19 VanDerWaalsContact O-CD2 3.29Å; L15-F19 WeakPolarHBondContact O-CD2 3.26Å; L15-F19 VanDerWaalsContact O-CG 3.26Å; L15-F19 WeakPolarHBondContact O-CG 3.41Å; L15-F19 PolarHBondContact O-N 2.91Å; F19-A22 PolarHBondContact O-N 3.14Å; F19-G23 PolarHBondContact O-N 3.47Å; F19-V24 HydrophobicContact CB-CG2 3.99Å; F19-V24 HydrophobicContact CD1-CG2 4.19Å; F19-V24 HydrophobicContact CG-CG2 4.44Å; F19-V24 WeakPolarHBondContact O-CG2 3.1Å; F19-V24 PolarHBondContact O-N 3.01Å; F19-L25 HydrophobicContact CB-CB 4.31Å; F19-L25 HydrophobicContact CB-CD1 4.08Å; F19-L25 HydrophobicContact CD2-CD1 4.02Å; F19-L25 HydrophobicContact CG-CD1 4.19Å; F19-F67 HydrophobicContact CE2-CE2 4.23Å; F19-F67 HydrophobicContact CE2-CZ 4.32Å; F19-F67 HydrophobicContact CZ-CZ 4.22Å; F19-L152 HydrophobicContact CD1-CD1 3.83Å; F19-L152 HydrophobicContact CD1-CG 4.35Å; F19-L152 HydrophobicContact CD2-CD1 4.41Å; F19-L152 HydrophobicContact CE1-CD1 3.75Å; F19-L152 HydrophobicContact CE1-CG 3.75Å; F19-L152 WeakPolarHBondContact CE1-O 3.42Å; F19-L152 HydrophobicContact CE2-CD1 4.3Å; F19-L152 HydrophobicContact CE2-CD2 4.35Å; F19-L152 HydrophobicContact CE2-CG 4.29Å; F19-L152 HydrophobicContact CG-CD1 4.19Å; F19-L152 HydrophobicContact CZ-CD1 3.99Å; F19-L152 HydrophobicContact CZ-CD2 4.12Å; F19-L152 HydrophobicContact CZ-CG 3.71Å; F19-M153 HydrophobicContact CE1-SD 4.23Å; F19-M153 HydrophobicContact CZ-SD 3.75Å; F19-V156 HydrophobicContact CD1-CG1 3.54Å; F19-V156 HydrophobicContact CD1-CG2 4.33Å; F19-V156 HydrophobicContact CE1-CG1 3.88Å; F19-V156 HydrophobicContact CE1-CG2 3.78Å; F19-V156 HydrophobicContact CG-CG1 4.49Å
20T97.3Very high96.7Very high37 Ų3740.3 Ų40.323%0.22724%0.239CC..Hα-helixtrans-67.8-41176.649.90000111.8A16 K17 G18 A22 G23 A27 I30 I48A16-T20 WeakPolarHBondContact O-CB 3.46Å; A16-T20 VanDerWaalsContact O-CG2 3.28Å; A16-T20 WeakPolarHBondContact O-CG2 3.48Å; A16-T20 PolarHBondContact O-N 3.5Å; A16-T20 VanDerWaalsContact O-N 3.12Å; A16-T20 PolarHBondContact O-OG1 3.34Å; K17-T20 WeakPolarHBondContact CA-OG1 3.13Å; K17-T20 PolarHBondContact O-OG1 3.08Å; K17-T20 VanDerWaalsContact O-OG1 3.04Å; G18-T20 PolarHBondContact O-N 3.05Å; T20-A22 VanDerWaalsContact C-N 3.35Å; T20-G23 PolarHBondContact O-N 2.95Å; T20-A27 HydrophobicContact CG2-CB 3.87Å; T20-I30 HydrophobicContact CG2-CD1 3.83Å; T20-I48 HydrophobicContact CG2-CG2 4.11Å
21A96.6Very high97Very high67 Ų6735.4 Ų35.455%0.55422%0.216SC*.Hα-helixtrans-68.7-30.9176.300000113.3K17 G18 G23K17-A21 WeakPolarHBondContact O-CB 3.46Å; K17-A21 PolarHBondContact O-N 3.2Å; G18-A21 PolarHBondContact O-N 3.4Å; A21-G23 PolarHBondContact O-N 2.94Å
22A96.2Very high97.1Very high26 Ų2633.5 Ų33.522%0.21521%0.206CC..Hα-helixtrans-74.4-13173.800000113G18 F19 T20 V24G18-A22 WeakPolarHBondContact O-CB 3.35Å; G18-A22 PolarHBondContact O-N 3.22Å; F19-A22 PolarHBondContact O-N 3.14Å; T20-A22 VanDerWaalsContact C-N 3.35Å; A22-V24 HydrophobicContact CB-CG1 4.31Å; A22-V24 HydrophobicContact CB-CG2 4.31Å; A22-V24 PolarHBondContact O-N 2.88Å
23G96.3Very high97.2Very high65 Ų6533.5 Ų33.567%0.6721%0.206SC*.THydrogen-bonded Turntrans74.29.7-17900000114.4F19 T20 A21F19-G23 PolarHBondContact O-N 3.47Å; T20-G23 PolarHBondContact O-N 2.95Å; A21-G23 PolarHBondContact O-N 2.94Å
24V96.8Very high97.1Very high70 Ų7032.1 Ų32.142%0.42420%0.201SC..SBendtrans-80.3-23.8179.9-62.60000112.9F19 A22 L152 S155F19-V24 HydrophobicContact CB-CG2 3.99Å; F19-V24 HydrophobicContact CD1-CG2 4.19Å; F19-V24 HydrophobicContact CG-CG2 4.44Å; F19-V24 WeakPolarHBondContact O-CG2 3.1Å; F19-V24 PolarHBondContact O-N 3.01Å; A22-V24 HydrophobicContact CB-CG1 4.31Å; A22-V24 HydrophobicContact CB-CG2 4.31Å; A22-V24 PolarHBondContact O-N 2.88Å; V24-L152 HydrophobicContact CG2-CD1 4.18Å; V24-S155 WeakPolarHBondContact CG2-OG 3.34Å
25L96.4Very high96.9Very high13 Ų1335.7 Ų35.77%0.06822%0.224CC..SBendtrans-138.4131.5177.8-71.2170000110.9M1 V3 F19 I30 L152M1-L25 HydrophobicContact CE-CD2 3.96Å; V3-L25 HydrophobicContact CB-CD1 3.99Å; V3-L25 HydrophobicContact CG2-CD1 3.39Å; V3-L25 HydrophobicContact CG2-CD2 4.25Å; V3-L25 HydrophobicContact CG2-CG 4.48Å; F19-L25 HydrophobicContact CB-CB 4.31Å; F19-L25 HydrophobicContact CB-CD1 4.08Å; F19-L25 HydrophobicContact CD2-CD1 4.02Å; F19-L25 HydrophobicContact CG-CD1 4.19Å; L25-I30 HydrophobicContact CB-CD1 4.22Å; L25-I30 HydrophobicContact CB-CG1 4.36Å; L25-I30 HydrophobicContact CD1-CD1 4.49Å; L25-I30 HydrophobicContact CD1-CG1 4.47Å; L25-L152 HydrophobicContact CD1-CD1 3.87Å; L25-L152 HydrophobicContact CG-CD1 4.45Å
26A97.3Very high96.5Very high46 Ų4638.9 Ų38.938%0.3824%0.241SC..  trans-71.1140.7167.500000109.9H28 K29A26-H28 VanDerWaalsContact CB-CE1 3.43Å; A26-H28 WeakPolarHBondContact CB-CE1 3.48Å; A26-H28 PolarHBondContact O-N 2.6Å; A26-H28 VanDerWaalsContact O-N 3.14Å; A26-K29 HydrophobicContact CB-CG 4.39Å; A26-K29 WeakPolarHBondContact O-CB 3.41Å; A26-K29 PolarHBondContact O-N 3.36Å
27A96.9Very high96.2Very high19 Ų1941.2 Ų41.216%0.15725%0.252CS..G310 helixtrans-56.7-35.8-17500000113.6T20 K29 I30 I48 G49T20-A27 HydrophobicContact CG2-CB 3.87Å; A27-K29 PolarHBondContact O-N 3.34Å; A27-I30 WeakPolarHBondContact O-CB 3.46Å; A27-I30 PolarHBondContact O-N 2.93Å; A27-I48 HydrophobicContact CB-CG2 4.33Å; A27-I48 WeakPolarHBondContact CB-O 3.28Å; A27-G49 CarbonylContact C-O 3.28Å; A27-G49 VanDerWaalsContact C-O 3.28Å; A27-G49 WeakPolarHBondContact CB-O 3.36Å
28H96Very high95.8Very high112 Ų11244 Ų4452%0.51927%0.272SS..G310 helixtrans-70.7-11.117872.3-94.8000114.4A26 I30 N51A26-H28 VanDerWaalsContact CB-CE1 3.43Å; A26-H28 WeakPolarHBondContact CB-CE1 3.48Å; A26-H28 PolarHBondContact O-N 2.6Å; A26-H28 VanDerWaalsContact O-N 3.14Å; H28-I30 VanDerWaalsContact C-N 3.3Å; H28-N51 PolarHBondContact O-ND2 3.08Å
29K98Very high95.4Very high90 Ų9047.4 Ų47.439%0.39129%0.287SS..G310 helixtrans-89-0170.9-67.7-68.6-171.7176.70112.4S2 V3 A26 A27S2-K29 WeakPolarHBondContact CA-O 3.29Å; V3-K29 PolarHBondContact N-O 2.96Å; A26-K29 HydrophobicContact CB-CG 4.39Å; A26-K29 WeakPolarHBondContact O-CB 3.41Å; A26-K29 PolarHBondContact O-N 3.36Å; A27-K29 PolarHBondContact O-N 3.34Å
30I98.6Very high95.2Very high0 Ų051.2 Ų51.20%032%0.319CS..EExtended strand (participates in β ladder)trans-107.4132.5177.5-53.4178.7000108.2V3 F5 A16 T20 L25 A27 H28 V50 N51V3-I30 CarbonylContact O-C 3.56Å; V3-I30 VanDerWaalsContact O-CA 3.28Å; V3-I30 WeakPolarHBondContact O-CA 3.23Å; F5-I30 HydrophobicContact CD2-CG2 3.72Å; F5-I30 HydrophobicContact CE2-CG2 3.57Å; A16-I30 HydrophobicContact CB-CD1 4.33Å; A16-I30 HydrophobicContact CB-CG2 4.33Å; T20-I30 HydrophobicContact CG2-CD1 3.83Å; L25-I30 HydrophobicContact CB-CD1 4.22Å; L25-I30 HydrophobicContact CB-CG1 4.36Å; L25-I30 HydrophobicContact CD1-CD1 4.49Å; L25-I30 HydrophobicContact CD1-CG1 4.47Å; A27-I30 WeakPolarHBondContact O-CB 3.46Å; A27-I30 PolarHBondContact O-N 2.93Å; H28-I30 VanDerWaalsContact C-N 3.3Å; I30-V50 HydrophobicContact CB-CG1 4.17Å; I30-V50 HydrophobicContact CB-CG2 4.26Å; I30-V50 HydrophobicContact CG2-CG1 3.82Å; I30-V50 HydrophobicContact CG2-CG2 4.28Å; I30-N51 WeakPolarHBondContact O-CB 3.39Å; I30-N51 PolarHBondContact O-N 2.88Å
31M98.6Very high95.1Very high27 Ų2750 Ų5013%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-124.5136.7170.5-174.1172-70.400110.5V3 G4 F5 N51 T53 T59 H62V3-M31 PolarHBondContact O-N 3.1Å; G4-M31 CarbonylContact C-O 3.55Å; G4-M31 VanDerWaalsContact CA-O 3.29Å; G4-M31 WeakPolarHBondContact CA-O 3.49Å; F5-M31 PolarHBondContact N-O 3.1Å; M31-N51 CarbonylContact C-O 3.53Å; M31-N51 VanDerWaalsContact CA-O 3.26Å; M31-N51 WeakPolarHBondContact CA-O 3.23Å; M31-N51 HydrophobicContact CB-CB 4.17Å; M31-N51 HydrophobicContact CE-CB 3.88Å; M31-N51 HydrophobicContact CG-CB 4.14Å; M31-T53 HydrophobicContact CG-CG2 4.23Å; M31-T53 HydrophobicContact SD-CG2 4.03Å; M31-T59 HydrophobicContact CB-CG2 4.48Å; M31-T59 HydrophobicContact CG-CG2 4.4Å; M31-H62 HydrophobicContact CB-CB 4.45Å; M31-H62 VanDerWaalsContact CB-CD2 3.48Å; M31-H62 WeakPolarHBondContact CB-CD2 3.31Å; M31-H62 HydrophobicContact CE-CB 3.9Å; M31-H62 HydrophobicContact SD-CB 3.79Å
32A98.4Very high95Very high0 Ų046.9 Ų46.90%029%0.286CS..EExtended strand (participates in β ladder)trans-127.2139.1173.600000111.2F5 A8 L45 V50 N51 L52 T53F5-A32 HydrophobicContact CB-CB 3.94Å; F5-A32 CarbonylContact O-C 3.19Å; F5-A32 VanDerWaalsContact O-CA 3.29Å; F5-A32 WeakPolarHBondContact O-CA 3.41Å; A8-A32 HydrophobicContact CB-CB 4.45Å; A32-L45 HydrophobicContact CB-CD1 4.16Å; A32-V50 HydrophobicContact CB-CG1 4.32Å; A32-N51 PolarHBondContact N-O 2.91Å; A32-L52 HydrophobicContact CB-CD2 4.07Å; A32-L52 WeakPolarHBondContact O-CA 3.29Å; A32-T53 PolarHBondContact O-N 3Å; A32-T53 VanDerWaalsContact O-N 3.14Å
33S98.1Very high95Very high0 Ų047.9 Ų47.90%029%0.291CS..EExtended strand (participates in β ladder)trans-108.2140.9174.1520000113.4F5 G7 A8 T53 N56 T59F5-S33 PolarHBondContact O-N 3Å; F5-S33 PolarHBondContact O-OG 3.14Å; G7-S33 CarbonylContact C-O 3.58Å; G7-S33 VanDerWaalsContact C-O 3.28Å; G7-S33 WeakPolarHBondContact CA-O 3.47Å; G7-S33 PolarHBondContact N-O 2.85Å; A8-S33 PolarHBondContact N-O 2.9Å; S33-T53 WeakPolarHBondContact CA-O 3.42Å; S33-N56 VanDerWaalsContact CB-OD1 3.31Å; S33-N56 WeakPolarHBondContact CB-OD1 3.33Å; S33-N56 PolarHBondContact OG-OD1 2.67Å; S33-T59 VanDerWaalsContact CB-OG1 3.23Å; S33-T59 WeakPolarHBondContact CB-OG1 3.49Å; S33-T59 PolarHBondContact OG-OG1 2.65Å
34S94.9Very high95Very high8 Ų845.5 Ų45.56%0.05627%0.265CS..  trans-150.3135.6170.4179.50000110.5D36 T53 A54S34-D36 PolarHBondContact O-N 3.33Å; S34-D36 PolarHBondContact OG-N 3.12Å; S34-D36 PolarHBondContact OG-O 2.96Å; S34-T53 PolarHBondContact N-O 3.46Å; S34-T53 VanDerWaalsContact N-O 3.13Å; S34-A54 WeakPolarHBondContact O-CA 3.47Å
35P90.8Very high95Very high80 Ų8042.1 Ų42.152%0.51925%0.245SC..SBendtrans-68.1-23173.129-35000112.5
36D90.8Very high95Very high67 Ų6748.3 Ų48.336%0.35827%0.267SS..  trans-109.2106.5177.1179.39.4000109.3S34 D38 Q39S34-D36 PolarHBondContact O-N 3.33Å; S34-D36 PolarHBondContact OG-N 3.12Å; S34-D36 PolarHBondContact OG-O 2.96Å; D36-D38 PolarHBondContact OD1-N 3.04Å; D36-Q39 HydrophobicContact CB-CG 4.13Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.18Å; D36-Q39 PolarHBondContact OD2-NE2 3.1Å
37M89.8Confident94.9Very high49 Ų4955.5 Ų55.524%0.24129%0.285CS..  trans-92.5-6-173-67.2-66.1-68.300113.4V42 L52M37-V42 HydrophobicContact CE-CG1 3.99Å; M37-V42 WeakPolarHBondContact O-CG1 3.46Å; M37-V42 HydrophobicContact SD-CG1 4.18Å; M37-L52 HydrophobicContact CE-CB 3.86Å
38D88.1Confident94.8Very high148 Ų14857 Ų5779%0.79129%0.29SS*.SBendtrans-92.70.8-177.4-63.1-39.1000112.5D36D36-D38 PolarHBondContact OD1-N 3.04Å
39Q90.3Very high94.9Very high71 Ų7153.5 Ų53.533%0.33228%0.283SS..SBendtrans-65145.6179.5-61.2-171.5-800112.5D36 T41 V42 S43D36-Q39 HydrophobicContact CB-CG 4.13Å; D36-Q39 WeakPolarHBondContact OD2-CG 3.18Å; D36-Q39 PolarHBondContact OD2-NE2 3.1Å; Q39-T41 PolarHBondContact O-N 3.45Å; Q39-V42 HydrophobicContact CB-CB 4.48Å; Q39-V42 HydrophobicContact CB-CG2 4.09Å; Q39-V42 WeakPolarHBondContact O-CB 3.43Å; Q39-V42 PolarHBondContact O-N 3.21Å; Q39-V42 VanDerWaalsContact O-N 3.1Å; Q39-S43 PolarHBondContact O-N 3.05Å
40A93.7Very high94.9Very high81 Ų8149.6 Ų49.667%0.66927%0.267SS*.Hα-helixtrans-57.7-35177.300000112.8S43 A44A40-S43 PolarHBondContact O-N 3.43Å; A40-A44 WeakPolarHBondContact O-CB 3.22Å; A40-A44 PolarHBondContact O-N 3.47Å
41T94.4Very high94.8Very high12 Ų1252.5 Ų52.57%0.07428%0.282CS..Hα-helixtrans-67.8-40.9176.447.40000112.1A8 Q10 F13 Q39 S43 A44 L45A8-T41 WeakPolarHBondContact O-CB 3.31Å; A8-T41 PolarHBondContact O-OG1 2.87Å; Q10-T41 HydrophobicContact CG-CG2 4.49Å; F13-T41 HydrophobicContact CB-CG2 4.44Å; Q39-T41 PolarHBondContact O-N 3.45Å; T41-S43 VanDerWaalsContact C-N 3.35Å; T41-A44 WeakPolarHBondContact O-CB 2.98Å; T41-A44 PolarHBondContact O-N 3.02Å; T41-A44 VanDerWaalsContact O-N 3.12Å; T41-L45 WeakPolarHBondContact O-CG 3.33Å; T41-L45 PolarHBondContact O-N 3.26Å
42V95.1Very high94.8Very high0 Ų053.2 Ų53.20%029%0.286CS..Hα-helixtrans-61.4-45.3173.9176.50000110.4A8 M37 Q39 A44 L45 R46 L52A8-V42 HydrophobicContact CB-CG2 3.74Å; M37-V42 HydrophobicContact CE-CG1 3.99Å; M37-V42 WeakPolarHBondContact O-CG1 3.46Å; M37-V42 HydrophobicContact SD-CG1 4.18Å; Q39-V42 HydrophobicContact CB-CB 4.48Å; Q39-V42 HydrophobicContact CB-CG2 4.09Å; Q39-V42 WeakPolarHBondContact O-CB 3.43Å; Q39-V42 PolarHBondContact O-N 3.21Å; Q39-V42 VanDerWaalsContact O-N 3.1Å; V42-A44 VanDerWaalsContact C-N 3.26Å; V42-A44 PolarHBondContact O-N 3.15Å; V42-L45 PolarHBondContact O-N 3.36Å; V42-R46 PolarHBondContact O-N 3.22Å; V42-L52 HydrophobicContact CG1-CD1 3.77Å; V42-L52 HydrophobicContact CG1-CD2 4.28Å; V42-L52 WeakPolarHBondContact O-CD1 3.42Å
43S95.4Very high94.8Very high48 Ų4853.8 Ų53.834%0.33629%0.29SS..Hα-helixtrans-62.2-32174.4-68.10000113Q39 A40 T41 R47Q39-S43 PolarHBondContact O-N 3.05Å; A40-S43 PolarHBondContact O-N 3.43Å; T41-S43 VanDerWaalsContact C-N 3.35Å; S43-R47 WeakPolarHBondContact O-CG 3.45Å; S43-R47 PolarHBondContact O-N 3.24Å; S43-R47 PolarHBondContact O-NE 2.97Å
44A96.3Very high94.7Very high14 Ų1456.1 Ų56.112%0.11631%0.309CS..Hα-helixtrans-74.9-42.1175.600000112.4F13 A40 T41 V42 R46 R47 I48F13-A44 HydrophobicContact CD2-CB 3.75Å; F13-A44 HydrophobicContact CE2-CB 3.37Å; F13-A44 HydrophobicContact CZ-CB 4.09Å; A40-A44 WeakPolarHBondContact O-CB 3.22Å; A40-A44 PolarHBondContact O-N 3.47Å; T41-A44 WeakPolarHBondContact O-CB 2.98Å; T41-A44 PolarHBondContact O-N 3.02Å; T41-A44 VanDerWaalsContact O-N 3.12Å; V42-A44 VanDerWaalsContact C-N 3.26Å; V42-A44 PolarHBondContact O-N 3.15Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 2.8Å; A44-R47 PolarHBondContact O-N 3.37Å; A44-I48 WeakPolarHBondContact O-CG1 3.28Å; A44-I48 PolarHBondContact O-N 3.36Å
45L96.9Very high94.8Very high0 Ų060.9 Ų60.90%033%0.33CS..Hα-helixtrans-59.5-43.5173.6-75.6167.8000111.6A8 F13 A16 A32 T41 V42 R47 I48 G49 V50 L52A8-L45 HydrophobicContact CB-CD1 3.87Å; F13-L45 HydrophobicContact CB-CD2 4.48Å; F13-L45 HydrophobicContact CB-CG 4.47Å; F13-L45 HydrophobicContact CD2-CD2 4.3Å; F13-L45 HydrophobicContact CD2-CG 4.24Å; A16-L45 HydrophobicContact CB-CD2 3.63Å; A32-L45 HydrophobicContact CB-CD1 4.16Å; T41-L45 WeakPolarHBondContact O-CG 3.33Å; T41-L45 PolarHBondContact O-N 3.26Å; V42-L45 PolarHBondContact O-N 3.36Å; L45-R47 VanDerWaalsContact C-N 3.29Å; L45-R47 PolarHBondContact O-N 2.67Å; L45-I48 PolarHBondContact O-N 2.8Å; L45-I48 VanDerWaalsContact O-N 3.08Å; L45-G49 PolarHBondContact O-N 2.83Å; L45-V50 HydrophobicContact CB-CB 4.23Å; L45-V50 HydrophobicContact CD2-CB 4.3Å; L45-V50 HydrophobicContact CD2-CG1 4.32Å; L45-V50 HydrophobicContact CD2-CG2 4Å; L45-V50 PolarHBondContact O-N 3.12Å; L45-L52 HydrophobicContact CB-CD1 4.43Å; L45-L52 HydrophobicContact CB-CD2 3.99Å; L45-L52 HydrophobicContact CD1-CD2 4.1Å
46R96.2Very high95.2Very high142 Ų14257.8 Ų57.854%0.53631%0.31SS..Hα-helixtrans-57.6-42.6176.1-168.3176.3-67.5150.22.4111.8V42 A44 I48 G49 L52V42-R46 PolarHBondContact O-N 3.22Å; A44-R46 VanDerWaalsContact C-N 3.34Å; A44-R46 PolarHBondContact O-N 2.8Å; R46-I48 VanDerWaalsContact C-N 3.27Å; R46-I48 PolarHBondContact O-N 2.92Å; R46-G49 PolarHBondContact O-N 3.39Å; R46-G49 VanDerWaalsContact O-N 3.09Å; R46-L52 HydrophobicContact CB-CD1 3.63Å; R46-L52 HydrophobicContact CG-CD1 4.28Å
47R96.3Very high95.5Very high198 Ų19860.1 Ų60.175%0.74731%0.313SS*.Hα-helixtrans-66.4-27.1178.3-76.2178.6-74.6161.8-4.5113.4S43 A44 L45 G49S43-R47 WeakPolarHBondContact O-CG 3.45Å; S43-R47 PolarHBondContact O-N 3.24Å; S43-R47 PolarHBondContact O-NE 2.97Å; A44-R47 PolarHBondContact O-N 3.37Å; L45-R47 VanDerWaalsContact C-N 3.29Å; L45-R47 PolarHBondContact O-N 2.67Å; R47-G49 VanDerWaalsContact C-N 3.28Å
48I95.1Very high95.9Very high51 Ų5162.4 Ų62.426%0.26232%0.323SS..Hα-helixtrans-78-17.3175.1-63.9166.3000111.2F13 K17 T20 A27 A44 L45 R46 V50F13-I48 HydrophobicContact CD2-CD1 4.12Å; F13-I48 HydrophobicContact CE2-CD1 3.55Å; F13-I48 HydrophobicContact CZ-CD1 4.42Å; K17-I48 HydrophobicContact CB-CD1 3.89Å; K17-I48 HydrophobicContact CD-CD1 4.36Å; K17-I48 HydrophobicContact CG-CD1 4.19Å; T20-I48 HydrophobicContact CG2-CG2 4.11Å; A27-I48 HydrophobicContact CB-CG2 4.33Å; A27-I48 WeakPolarHBondContact CB-O 3.28Å; A44-I48 WeakPolarHBondContact O-CG1 3.28Å; A44-I48 PolarHBondContact O-N 3.36Å; L45-I48 PolarHBondContact O-N 2.8Å; L45-I48 VanDerWaalsContact O-N 3.08Å; R46-I48 VanDerWaalsContact C-N 3.27Å; R46-I48 PolarHBondContact O-N 2.92Å; I48-V50 HydrophobicContact CB-CG2 4.46Å; I48-V50 HydrophobicContact CG2-CG2 4.29Å
49G96.9Very high96.4Very high37 Ų3755.3 Ų55.338%0.38129%0.286SS..THydrogen-bonded Turntrans93.120.6-17800000113.9A27 L45 R46 R47A27-G49 CarbonylContact C-O 3.28Å; A27-G49 VanDerWaalsContact C-O 3.28Å; A27-G49 WeakPolarHBondContact CB-O 3.36Å; L45-G49 PolarHBondContact O-N 2.83Å; R46-G49 PolarHBondContact O-N 3.39Å; R46-G49 VanDerWaalsContact O-N 3.09Å; R47-G49 VanDerWaalsContact C-N 3.28Å
50V97.9Very high96.8Very high8 Ų852 Ų525%0.04827%0.27CS..  trans-75.2138.2174.2174.60000109.8A16 I30 A32 L45 I48A16-V50 HydrophobicContact CB-CG2 4.18Å; I30-V50 HydrophobicContact CB-CG1 4.17Å; I30-V50 HydrophobicContact CB-CG2 4.26Å; I30-V50 HydrophobicContact CG2-CG1 3.82Å; I30-V50 HydrophobicContact CG2-CG2 4.28Å; A32-V50 HydrophobicContact CB-CG1 4.32Å; L45-V50 HydrophobicContact CB-CB 4.23Å; L45-V50 HydrophobicContact CD2-CB 4.3Å; L45-V50 HydrophobicContact CD2-CG1 4.32Å; L45-V50 HydrophobicContact CD2-CG2 4Å; L45-V50 PolarHBondContact O-N 3.12Å; I48-V50 HydrophobicContact CB-CG2 4.46Å; I48-V50 HydrophobicContact CG2-CG2 4.29Å
51N98Very high97Very high62 Ų6255.4 Ų55.433%0.33227%0.266SS..EExtended strand (participates in β ladder)trans-70.6134.9173.2-64.7-38.8000109.9H28 I30 M31 A32H28-N51 PolarHBondContact O-ND2 3.08Å; I30-N51 WeakPolarHBondContact O-CB 3.39Å; I30-N51 PolarHBondContact O-N 2.88Å; M31-N51 CarbonylContact C-O 3.53Å; M31-N51 VanDerWaalsContact CA-O 3.26Å; M31-N51 WeakPolarHBondContact CA-O 3.23Å; M31-N51 HydrophobicContact CB-CB 4.17Å; M31-N51 HydrophobicContact CE-CB 3.88Å; M31-N51 HydrophobicContact CG-CB 4.14Å; A32-N51 PolarHBondContact N-O 2.91Å
52L98.1Very high97.1Very high41 Ų4157.4 Ų57.422%0.21527%0.274CS..EExtended strand (participates in β ladder)trans-125.7140.4-175.9-66.6164.2000110.5A32 M37 V42 L45 R46A32-L52 HydrophobicContact CB-CD2 4.07Å; A32-L52 WeakPolarHBondContact O-CA 3.29Å; M37-L52 HydrophobicContact CE-CB 3.86Å; V42-L52 HydrophobicContact CG1-CD1 3.77Å; V42-L52 HydrophobicContact CG1-CD2 4.28Å; V42-L52 WeakPolarHBondContact O-CD1 3.42Å; L45-L52 HydrophobicContact CB-CD1 4.43Å; L45-L52 HydrophobicContact CB-CD2 3.99Å; L45-L52 HydrophobicContact CD1-CD2 4.1Å; R46-L52 HydrophobicContact CB-CD1 3.63Å; R46-L52 HydrophobicContact CG-CD1 4.28Å
53T97.8Very high97.3Very high12 Ų1257.4 Ų57.47%0.07427%0.274CS..EExtended strand (participates in β ladder)trans-144.9156.5177.5-179.10000111.2M31 A32 S33 S34 H55 Q58M31-T53 HydrophobicContact CG-CG2 4.23Å; M31-T53 HydrophobicContact SD-CG2 4.03Å; A32-T53 PolarHBondContact O-N 3Å; A32-T53 VanDerWaalsContact O-N 3.14Å; S33-T53 WeakPolarHBondContact CA-O 3.42Å; S34-T53 PolarHBondContact N-O 3.46Å; S34-T53 VanDerWaalsContact N-O 3.13Å; T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 WeakPolarHBondContact CG2-O 3Å; T53-H55 PolarHBondContact OG1-N 2.92Å; T53-H55 VanDerWaalsContact OG1-N 3.12Å; T53-Q58 HydrophobicContact CG2-CB 4.14Å; T53-Q58 PolarHBondContact OG1-OE1 3.24Å
54A96.4Very high97.4Very high49 Ų4957.6 Ų57.641%0.40527%0.271SS..SBendtrans-83.5-10.517000000112.7S34S34-A54 WeakPolarHBondContact O-CA 3.47Å
55H96.8Very high97.5Very high108 Ų10857 Ų5750%0.527%0.266SS..  trans-111.9117.2-168.5-56.4-66.3000112.2T53 R57 Q58T53-H55 VanDerWaalsContact C-N 3.32Å; T53-H55 WeakPolarHBondContact CG2-O 3Å; T53-H55 PolarHBondContact OG1-N 2.92Å; T53-H55 VanDerWaalsContact OG1-N 3.12Å; H55-R57 VanDerWaalsContact C-N 3.3Å; H55-R57 PolarHBondContact O-N 2.89Å; H55-Q58 HydrophobicContact CB-CB 4.4Å; H55-Q58 HydrophobicContact CB-CG 4Å; H55-Q58 PolarHBondContact O-N 3.07Å; H55-Q58 VanDerWaalsContact O-N 3.15Å
56N98.1Very high97.6Very high16 Ų1657 Ų579%0.08627%0.266CS..Hα-helixtrans-61.3-38.4-178.7-63.1-38000112.4I6 S33 Q58 T59 V60 I78 E81 I82I6-N56 HydrophobicContact CD1-CB 4.25Å; I6-N56 HydrophobicContact CG1-CB 4.38Å; S33-N56 VanDerWaalsContact CB-OD1 3.31Å; S33-N56 WeakPolarHBondContact CB-OD1 3.33Å; S33-N56 PolarHBondContact OG-OD1 2.67Å; N56-Q58 PolarHBondContact O-N 3.01Å; N56-T59 WeakPolarHBondContact O-CA 3.17Å; N56-T59 VanDerWaalsContact O-CB 3.31Å; N56-T59 WeakPolarHBondContact O-CB 3.12Å; N56-T59 PolarHBondContact O-N 2.97Å; N56-V60 WeakPolarHBondContact O-CG2 3.34Å; N56-V60 PolarHBondContact O-N 2.78Å; N56-I78 VanDerWaalsContact ND2-CD1 3.33Å; N56-I78 WeakPolarHBondContact ND2-CD1 3.44Å; N56-E81 PolarHBondContact ND2-OE2 2.84Å; N56-I82 HydrophobicContact CB-CG2 3.85Å
57R97.9Very high97.8Very high115 Ų11550.2 Ų50.243%0.43424%0.241SC..Hα-helixtrans-59.7-31.8177.6-62.8-174172.9-174.6-4.8113.7H55 R61 E81 D85H55-R57 VanDerWaalsContact C-N 3.3Å; H55-R57 PolarHBondContact O-N 2.89Å; R57-R61 VanDerWaalsContact O-CG 3.31Å; R57-R61 WeakPolarHBondContact O-CG 3.44Å; R57-R61 PolarHBondContact O-N 3.48Å; R57-R61 VanDerWaalsContact O-N 3.15Å; R57-E81 PolarHBondContact NE-O 3.3Å; R57-E81 PolarHBondContact NH2-O 2.86Å; R57-D85 WeakPolarHBondContact CD-OD2 3.4Å; R57-D85 VanDerWaalsContact CG-OD2 3.3Å; R57-D85 WeakPolarHBondContact CG-OD2 3.48Å; R57-D85 IonicContact CZ-OD2 2.79Å; R57-D85 IonicContact NE-OD2 3.85Å; R57-D85 PolarHBondContact NE-OD2 2.78Å
58Q98Very high97.9Very high97 Ų9740.8 Ų40.845%0.45321%0.205SC..Hα-helixtrans-69.3-41.1175.1-68.9-179.1-0.600111.1T53 H55 N56 V60 R61 H62T53-Q58 HydrophobicContact CG2-CB 4.14Å; T53-Q58 PolarHBondContact OG1-OE1 3.24Å; H55-Q58 HydrophobicContact CB-CB 4.4Å; H55-Q58 HydrophobicContact CB-CG 4Å; H55-Q58 PolarHBondContact O-N 3.07Å; H55-Q58 VanDerWaalsContact O-N 3.15Å; N56-Q58 PolarHBondContact O-N 3.01Å; Q58-V60 VanDerWaalsContact C-N 3.33Å; Q58-V60 PolarHBondContact O-N 3.17Å; Q58-R61 PolarHBondContact O-N 3.33Å; Q58-H62 WeakPolarHBondContact O-CB 3.29Å; Q58-H62 PolarHBondContact O-N 2.77Å; Q58-H62 VanDerWaalsContact O-N 3.1Å
59T98.4Very high97.9Very high0 Ų039.2 Ų39.20%020%0.199CC..Hα-helixtrans-59.3-44.5174-53.30000111.3I6 M31 S33 N56 H62 S63 L66I6-T59 HydrophobicContact CG1-CG2 4.47Å; M31-T59 HydrophobicContact CB-CG2 4.48Å; M31-T59 HydrophobicContact CG-CG2 4.4Å; S33-T59 VanDerWaalsContact CB-OG1 3.23Å; S33-T59 WeakPolarHBondContact CB-OG1 3.49Å; S33-T59 PolarHBondContact OG-OG1 2.65Å; N56-T59 WeakPolarHBondContact O-CA 3.17Å; N56-T59 VanDerWaalsContact O-CB 3.31Å; N56-T59 WeakPolarHBondContact O-CB 3.12Å; N56-T59 PolarHBondContact O-N 2.97Å; T59-H62 PolarHBondContact O-N 2.96Å; T59-S63 WeakPolarHBondContact O-CB 3.5Å; T59-S63 PolarHBondContact O-N 3.45Å; T59-S63 PolarHBondContact O-OG 3.05Å; T59-L66 HydrophobicContact CG2-CD1 3.97Å
60V98.4Very high97.8Very high0 Ų038.8 Ų38.80%019%0.189CC..Hα-helixtrans-57.8-56.5177.7177.40000110.3I6 N56 Q58 H62 S63 L66 I82 D85 I86 H90I6-V60 HydrophobicContact CD1-CG2 4.15Å; N56-V60 WeakPolarHBondContact O-CG2 3.34Å; N56-V60 PolarHBondContact O-N 2.78Å; Q58-V60 VanDerWaalsContact C-N 3.33Å; Q58-V60 PolarHBondContact O-N 3.17Å; V60-H62 PolarHBondContact O-N 2.69Å; V60-H62 VanDerWaalsContact O-N 3.1Å; V60-S63 PolarHBondContact O-N 2.86Å; V60-L66 HydrophobicContact CG2-CD1 4.43Å; V60-L66 HydrophobicContact CG2-CD2 3.83Å; V60-I82 HydrophobicContact CG2-CB 3.88Å; V60-I82 HydrophobicContact CG2-CD1 4.02Å; V60-I82 HydrophobicContact CG2-CG1 4.4Å; V60-I82 HydrophobicContact CG2-CG2 3.95Å; V60-D85 HydrophobicContact CG1-CB 4.01Å; V60-D85 WeakPolarHBondContact CG1-O 3.48Å; V60-I86 HydrophobicContact CG1-CD1 3.88Å; V60-H90 PolarHBondContact O-NE2 3.47Å
61R98.1Very high97.5Very high154 Ų15443.9 Ų43.958%0.58121%0.211SC*.Hα-helixtrans-59.1-28.3-178.1-67.8170.8-172.3-175.80.5114R57 Q58 D85R57-R61 VanDerWaalsContact O-CG 3.31Å; R57-R61 WeakPolarHBondContact O-CG 3.44Å; R57-R61 PolarHBondContact O-N 3.48Å; R57-R61 VanDerWaalsContact O-N 3.15Å; Q58-R61 PolarHBondContact O-N 3.33Å; R61-D85 IonicContact CZ-OD1 3.41Å; R61-D85 IonicContact NE-OD1 3.13Å; R61-D85 PolarHBondContact NE-OD1 2.85Å; R61-D85 VanDerWaalsContact NE-OD1 3.13Å; R61-D85 IonicContact NH2-OD1 2.64Å; R61-D85 PolarHBondContact NH2-OD1 3.47Å
62H97.9Very high97.1Very high54 Ų5442.1 Ų42.125%0.2520%0.203CC..Hα-helixtrans-76-23.4177.9-179.977.3000113.6S2 M31 Q58 T59 V60S2-H62 WeakPolarHBondContact CB-O 3.33Å; S2-H62 PolarHBondContact OG-O 3.12Å; M31-H62 HydrophobicContact CB-CB 4.45Å; M31-H62 VanDerWaalsContact CB-CD2 3.48Å; M31-H62 WeakPolarHBondContact CB-CD2 3.31Å; M31-H62 HydrophobicContact CE-CB 3.9Å; M31-H62 HydrophobicContact SD-CB 3.79Å; Q58-H62 WeakPolarHBondContact O-CB 3.29Å; Q58-H62 PolarHBondContact O-N 2.77Å; Q58-H62 VanDerWaalsContact O-N 3.1Å; T59-H62 PolarHBondContact O-N 2.96Å; V60-H62 PolarHBondContact O-N 2.69Å; V60-H62 VanDerWaalsContact O-N 3.1Å
63S98.3Very high96.7Very high0 Ų042 Ų420%020%0.201CC..  trans-106.5151.1-158.1-55.60000112.8G4 T59 V60 H90G4-S63 WeakPolarHBondContact CA-OG 3.3Å; G4-S63 PolarHBondContact N-OG 2.91Å; G4-S63 VanDerWaalsContact N-OG 3.07Å; T59-S63 WeakPolarHBondContact O-CB 3.5Å; T59-S63 PolarHBondContact O-N 3.45Å; T59-S63 PolarHBondContact O-OG 3.05Å; V60-S63 PolarHBondContact O-N 2.86Å; S63-H90 PolarHBondContact O-CD2 2.82Å; S63-H90 PolarHBondContact O-NE2 2.93Å; S63-H90 VanDerWaalsContact O-NE2 3.17Å
64D98.3Very high96.4Very high52 Ų5242.9 Ų42.928%0.27821%0.205SC..SBendtrans-100.3-41.2165.9-56.5-51.1000109.4M1 S2 H90 I91M1-D64 WeakPolarHBondContact CA-OD2 3.39Å; M1-D64 HydrophobicContact CG-CB 4.45Å; M1-D64 PolarHBondContact N-OD2 3.22Å; S2-D64 PolarHBondContact N-OD2 3.38Å; S2-D64 PolarHBondContact O-N 3.4Å; D64-H90 WeakPolarHBondContact O-CA 3.3Å; D64-I91 PolarHBondContact O-N 3.3Å
65V98.7Very high96.3Very high1 Ų140.6 Ų40.61%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-111.3123.3173.1-176.70000109M1 S2 V3 G4 F67 I91 V93 L148M1-V65 HydrophobicContact CG-CG2 4.35Å; M1-V65 HydrophobicContact SD-CG2 4Å; S2-V65 PolarHBondContact O-N 3.33Å; V3-V65 WeakPolarHBondContact CA-O 3.47Å; V3-V65 HydrophobicContact CG2-CB 4.34Å; G4-V65 PolarHBondContact N-O 3.11Å; V65-F67 HydrophobicContact CG1-CD2 4.3Å; V65-F67 HydrophobicContact CG1-CE2 3.8Å; V65-F67 HydrophobicContact CG1-CZ 4.33Å; V65-I91 HydrophobicContact CG2-CD1 4.43Å; V65-V93 HydrophobicContact CG1-CG2 3.73Å; V65-L148 HydrophobicContact CG2-CD2 4.14Å
66L98.7Very high96.1Very high0 Ų037.1 Ų37.10%017%0.173CC..EExtended strand (participates in β ladder)trans-115.9107.6-173.9-175.669.6000111I6 T59 V60 L68 I82 I86 I91 V93I6-L66 HydrophobicContact CD1-CD1 4.1Å; I6-L66 HydrophobicContact CD1-CD2 3.97Å; I6-L66 HydrophobicContact CD1-CG 4.31Å; I6-L66 HydrophobicContact CG1-CD1 4.02Å; T59-L66 HydrophobicContact CG2-CD1 3.97Å; V60-L66 HydrophobicContact CG2-CD1 4.43Å; V60-L66 HydrophobicContact CG2-CD2 3.83Å; L66-L68 HydrophobicContact CD2-CD2 4.38Å; L66-L68 HydrophobicContact CG-CD2 4.44Å; L66-I82 HydrophobicContact CD2-CD1 3.99Å; L66-I86 HydrophobicContact CD2-CD1 3.96Å; L66-I91 PolarHBondContact N-O 3.33Å; L66-V93 PolarHBondContact O-N 3.2Å
67F98.8Very high95.8Very high0 Ų041.2 Ų41.20%019%0.19CC..EExtended strand (participates in β ladder)trans-82.8125.9174.9-72.2-90.6000111.6V3 G4 F5 I6 L15 F19 V65 A69 V93 L152 M153V3-F67 HydrophobicContact CG1-CD2 3.6Å; V3-F67 HydrophobicContact CG1-CE2 3.63Å; G4-F67 PolarHBondContact O-N 2.64Å; F5-F67 WeakPolarHBondContact CA-O 3.2Å; F5-F67 HydrophobicContact CD1-CB 3.5Å; F5-F67 VanDerWaalsContact CD1-CB 3.5Å; F5-F67 HydrophobicContact CD1-CD2 4.28Å; F5-F67 HydrophobicContact CD1-CG 4.04Å; F5-F67 HydrophobicContact CE1-CB 3.72Å; F5-F67 HydrophobicContact CE1-CD1 4.4Å; F5-F67 AromaticContact CE1-CD2 3.78Å; F5-F67 HydrophobicContact CE1-CD2 3.78Å; F5-F67 AromaticContact CE1-CG 3.71Å; F5-F67 HydrophobicContact CE1-CG 3.71Å; F5-F67 HydrophobicContact CG-CB 4.35Å; F5-F67 HydrophobicContact CZ-CD2 4.08Å; F5-F67 HydrophobicContact CZ-CG 4.46Å; I6-F67 PolarHBondContact N-O 3.15Å; L15-F67 HydrophobicContact CD1-CD1 4.4Å; L15-F67 HydrophobicContact CD1-CE1 4.49Å; F19-F67 HydrophobicContact CE2-CE2 4.23Å; F19-F67 HydrophobicContact CE2-CZ 4.32Å; F19-F67 HydrophobicContact CZ-CZ 4.22Å; V65-F67 HydrophobicContact CG1-CD2 4.3Å; V65-F67 HydrophobicContact CG1-CE2 3.8Å; V65-F67 HydrophobicContact CG1-CZ 4.33Å; F67-A69 PolarHBondContact O-N 3.18Å; F67-V93 CarbonylContact C-O 3.44Å; F67-V93 VanDerWaalsContact CA-O 3.27Å; F67-V93 WeakPolarHBondContact CA-O 3.35Å; F67-V93 HydrophobicContact CD1-CB 3.84Å; F67-V93 HydrophobicContact CD1-CG1 3.74Å; F67-V93 HydrophobicContact CE1-CB 3.96Å; F67-V93 HydrophobicContact CE1-CG1 3.6Å; F67-V93 HydrophobicContact CE1-CG2 4.47Å; F67-V93 HydrophobicContact CG-CB 4.35Å; F67-V93 HydrophobicContact CZ-CG1 4.45Å; F67-L152 HydrophobicContact CE2-CD2 3.99Å; F67-L152 HydrophobicContact CZ-CD2 3.97Å; F67-M153 HydrophobicContact CE1-SD 3.95Å; F67-M153 HydrophobicContact CZ-SD 4Å
68L98.4Very high95.8Very high0 Ų036.3 Ų36.30%017%0.172CC..EExtended strand (participates in β ladder)trans-91.295.3168.8-48.6-178.4000109I6 L66 I75 L79 I82 V92 V93 C95I6-L68 HydrophobicContact CB-CD2 4.29Å; I6-L68 HydrophobicContact CD1-CD2 3.97Å; L66-L68 HydrophobicContact CD2-CD2 4.38Å; L66-L68 HydrophobicContact CG-CD2 4.44Å; L68-I75 HydrophobicContact CB-CD1 3.63Å; L68-I75 HydrophobicContact CD1-CD1 4.04Å; L68-I75 HydrophobicContact CD1-CG2 4.46Å; L68-I75 HydrophobicContact CG-CD1 4.45Å; L68-L79 HydrophobicContact CD1-CD2 3.93Å; L68-I82 HydrophobicContact CD2-CD1 4.45Å; L68-V92 HydrophobicContact CD1-CG1 3.73Å; L68-V92 HydrophobicContact CD2-CG1 4.37Å; L68-V92 HydrophobicContact CG-CG1 3.95Å; L68-V93 PolarHBondContact N-O 2.92Å; L68-C95 PolarHBondContact O-N 3.42Å
69A96.9Very high95.7Very high17 Ų1731.9 Ų31.914%0.1415%0.152CC..  trans-109.635.6-175.200000112.4F5 I6 A12 F67F5-A69 HydrophobicContact CD1-CB 4.48Å; I6-A69 CarbonylContact O-C 3.28Å; I6-A69 WeakPolarHBondContact O-CA 3.31Å; I6-A69 PolarHBondContact O-N 3.25Å; A12-A69 HydrophobicContact CB-CB 4.21Å; F67-A69 PolarHBondContact O-N 3.18Å
70V94.8Very high95.5Very high29 Ų2935.3 Ų35.318%0.17617%0.17CC..SBendtrans-101.8171.7174.8-64.40000111.4I6 I74 I75 I78I6-V70 HydrophobicContact CG2-CG1 4.09Å; I6-V70 WeakPolarHBondContact O-CG1 3.34Å; V70-I74 HydrophobicContact CB-CB 4.13Å; V70-I74 HydrophobicContact CB-CD1 4.43Å; V70-I74 HydrophobicContact CB-CG2 4.19Å; V70-I74 HydrophobicContact CG2-CB 3.98Å; V70-I74 HydrophobicContact CG2-CG2 4.11Å; V70-I75 HydrophobicContact CG2-CD1 3.39Å; V70-I75 HydrophobicContact CG2-CG1 4.02Å; V70-I78 HydrophobicContact CG2-CG1 4.32Å
71K90.8Very high95.4Very high114 Ų11438.6 Ų38.650%0.49619%0.186SC..  trans-65.6150175.6-61.3-179.6-176.5170.60110.5H73 I74K71-H73 VanDerWaalsContact C-N 3.34Å; K71-H73 PolarHBondContact O-N 3.03Å; K71-I74 HydrophobicContact CB-CD1 3.82Å; K71-I74 HydrophobicContact CB-CG1 4.08Å; K71-I74 HydrophobicContact CD-CD1 4.4Å; K71-I74 HydrophobicContact CG-CD1 4.22Å; K71-I74 WeakPolarHBondContact O-CB 3.28Å; K71-I74 PolarHBondContact O-N 2.92Å
72P90.6Very high95.4Very high25 Ų2531.3 Ų31.316%0.16216%0.158CC..G310 helixtrans-50.9-47.6-175.3-31.337.5000114.6I74 I75 A96 A97 V99P72-I74 PolarHBondContact O-N 3.35Å; P72-I74 VanDerWaalsContact O-N 3.09Å; P72-I75 WeakPolarHBondContact O-CB 3.38Å; P72-I75 PolarHBondContact O-N 3.48Å; P72-I75 VanDerWaalsContact O-N 3.12Å; P72-A96 HydrophobicContact CG-CB 4.46Å; P72-A97 WeakPolarHBondContact CB-O 3.42Å; P72-A97 HydrophobicContact CG-CB 4.34Å; P72-A97 WeakPolarHBondContact CG-O 3.45Å; P72-V99 HydrophobicContact CB-CG2 3.76Å
73H88.3Confident95.3Very high39 Ų3928.8 Ų28.818%0.18115%0.146CC..G310 helixtrans-66.4-12-18061.6-93.1000114.9K71 F77 V277K71-H73 VanDerWaalsContact C-N 3.34Å; K71-H73 PolarHBondContact O-N 3.03Å; H73-F77 WeakPolarHBondContact O-CD2 3.21Å; H73-F77 VanDerWaalsContact O-CE2 3.28Å; H73-F77 WeakPolarHBondContact O-CE2 3.42Å; H73-V277 HydrophobicContact CB-CB 4.38Å; H73-V277 HydrophobicContact CB-CG1 3.74Å; H73-V277 HydrophobicContact CB-CG2 3.76Å
74I91.7Very high95.3Very high30 Ų3032.2 Ų32.215%0.15418%0.175CC..G310 helixtrans-88.4-24.3179.1-54.1176.7000110.1V70 K71 P72 F77 I78 T285V70-I74 HydrophobicContact CB-CB 4.13Å; V70-I74 HydrophobicContact CB-CD1 4.43Å; V70-I74 HydrophobicContact CB-CG2 4.19Å; V70-I74 HydrophobicContact CG2-CB 3.98Å; V70-I74 HydrophobicContact CG2-CG2 4.11Å; K71-I74 HydrophobicContact CB-CD1 3.82Å; K71-I74 HydrophobicContact CB-CG1 4.08Å; K71-I74 HydrophobicContact CD-CD1 4.4Å; K71-I74 HydrophobicContact CG-CD1 4.22Å; K71-I74 WeakPolarHBondContact O-CB 3.28Å; K71-I74 PolarHBondContact O-N 2.92Å; P72-I74 PolarHBondContact O-N 3.35Å; P72-I74 VanDerWaalsContact O-N 3.09Å; I74-F77 PolarHBondContact O-N 3.07Å; I74-I78 HydrophobicContact CG2-CD1 4.23Å; I74-I78 HydrophobicContact CG2-CG1 3.87Å; I74-I78 WeakPolarHBondContact O-CG1 3.2Å; I74-I78 PolarHBondContact O-N 3.48Å; I74-T285 HydrophobicContact CD1-CG2 3.77Å
75I94.4Very high95.3Very high2 Ų230.7 Ų30.71%0.0117%0.167CC..Hα-helixtrans-54.3-48.7-174.6-63.4-71.7000112.8L68 V70 P72 F77 I78 L79 A96 V99 I104L68-I75 HydrophobicContact CB-CD1 3.63Å; L68-I75 HydrophobicContact CD1-CD1 4.04Å; L68-I75 HydrophobicContact CD1-CG2 4.46Å; L68-I75 HydrophobicContact CG-CD1 4.45Å; V70-I75 HydrophobicContact CG2-CD1 3.39Å; V70-I75 HydrophobicContact CG2-CG1 4.02Å; P72-I75 WeakPolarHBondContact O-CB 3.38Å; P72-I75 PolarHBondContact O-N 3.48Å; P72-I75 VanDerWaalsContact O-N 3.12Å; I75-F77 VanDerWaalsContact C-N 3.28Å; I75-F77 PolarHBondContact O-N 3.27Å; I75-I78 PolarHBondContact O-N 3.14Å; I75-I78 VanDerWaalsContact O-N 3.07Å; I75-L79 HydrophobicContact CG2-CD1 3.66Å; I75-L79 HydrophobicContact CG2-CG 3.89Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.41Å; I75-A96 HydrophobicContact CD1-CB 3.86Å; I75-A96 HydrophobicContact CG1-CB 3.62Å; I75-V99 HydrophobicContact CB-CG1 4.45Å; I75-V99 HydrophobicContact CG1-CG2 4.16Å; I75-V99 HydrophobicContact CG2-CG1 4.03Å; I75-I104 HydrophobicContact CG2-CG1 4.42Å
76P92.6Very high95.3Very high34 Ų3431.2 Ų31.222%0.22117%0.169CC..Hα-helixtrans-56.2-42.8-178.6-26.135.7000113I78 L79 D80P76-I78 PolarHBondContact O-N 3.49Å; P76-L79 PolarHBondContact O-N 2.76Å; P76-D80 VanDerWaalsContact O-CG 3.32Å; P76-D80 PolarHBondContact O-N 2.84Å
77F93.1Very high95.2Very high102 Ų10235.5 Ų35.545%0.44719%0.189SC..Hα-helixtrans-65.5-38.6178.8-57.2-77.9000112.5H73 I74 I75 E81 I282H73-F77 WeakPolarHBondContact O-CD2 3.21Å; H73-F77 VanDerWaalsContact O-CE2 3.28Å; H73-F77 WeakPolarHBondContact O-CE2 3.42Å; I74-F77 PolarHBondContact O-N 3.07Å; I75-F77 VanDerWaalsContact C-N 3.28Å; I75-F77 PolarHBondContact O-N 3.27Å; F77-E81 WeakPolarHBondContact O-CB 3.29Å; F77-E81 PolarHBondContact O-N 3.01Å; F77-I282 HydrophobicContact CZ-CD1 4.24Å
78I95.9Very high95.1Very high13 Ų1341.1 Ų41.17%0.06722%0.219CC..Hα-helixtrans-66.9-44.9176.7-63.8-59.1000110.5I6 N56 V70 I74 I75 P76 D80 E81 I82I6-I78 HydrophobicContact CD1-CG2 3.85Å; I6-I78 HydrophobicContact CG2-CD1 4.11Å; I6-I78 HydrophobicContact CG2-CG1 4.25Å; I6-I78 HydrophobicContact CG2-CG2 3.8Å; N56-I78 VanDerWaalsContact ND2-CD1 3.33Å; N56-I78 WeakPolarHBondContact ND2-CD1 3.44Å; V70-I78 HydrophobicContact CG2-CG1 4.32Å; I74-I78 HydrophobicContact CG2-CD1 4.23Å; I74-I78 HydrophobicContact CG2-CG1 3.87Å; I74-I78 WeakPolarHBondContact O-CG1 3.2Å; I74-I78 PolarHBondContact O-N 3.48Å; I75-I78 PolarHBondContact O-N 3.14Å; I75-I78 VanDerWaalsContact O-N 3.07Å; P76-I78 PolarHBondContact O-N 3.49Å; I78-D80 VanDerWaalsContact C-N 3.29Å; I78-D80 PolarHBondContact O-N 3.21Å; I78-E81 WeakPolarHBondContact O-CB 3.26Å; I78-E81 PolarHBondContact O-N 3.45Å; I78-E81 VanDerWaalsContact O-N 3.08Å; I78-I82 HydrophobicContact CG2-CD1 3.83Å; I78-I82 HydrophobicContact CG2-CG1 4.42Å; I78-I82 HydrophobicContact CG2-CG2 4.37Å; I78-I82 VanDerWaalsContact O-CG1 3.29Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 3.44Å
79L96.5Very high95.1Very high3 Ų345.8 Ų45.82%0.01624%0.237CC..Hα-helixtrans-61.7-40179.2-63.7177.3000111.3L68 I75 P76 E81 G83 I104 K107 L108L68-L79 HydrophobicContact CD1-CD2 3.93Å; I75-L79 HydrophobicContact CG2-CD1 3.66Å; I75-L79 HydrophobicContact CG2-CG 3.89Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 3.41Å; P76-L79 PolarHBondContact O-N 2.76Å; L79-E81 VanDerWaalsContact C-N 3.35Å; L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.23Å; L79-G83 PolarHBondContact O-N 3.02Å; L79-I104 HydrophobicContact CD1-CB 4.15Å; L79-I104 HydrophobicContact CD1-CG1 4.12Å; L79-I104 HydrophobicContact CD1-CG2 3.96Å; L79-I104 HydrophobicContact CD2-CG2 4.04Å; L79-K107 HydrophobicContact CB-CB 4.18Å; L79-K107 HydrophobicContact CD1-CB 3.96Å; L79-K107 HydrophobicContact CD1-CG 4.43Å; L79-L108 HydrophobicContact CB-CD2 4.45Å; L79-L108 HydrophobicContact CD2-CD1 4.25Å; L79-L108 HydrophobicContact CD2-CD2 3.93Å; L79-L108 HydrophobicContact CD2-CG 4.09Å
80D95.1Very high95.2Very high73 Ų7345.1 Ų45.139%0.3923%0.231SC..Hα-helixtrans-65.5-36.4173.2-67.1-31.2000112.1P76 I78 K107P76-D80 VanDerWaalsContact O-CG 3.32Å; P76-D80 PolarHBondContact O-N 2.84Å; I78-D80 VanDerWaalsContact C-N 3.29Å; I78-D80 PolarHBondContact O-N 3.21Å; D80-K107 WeakPolarHBondContact OD1-CD 3.42Å; D80-K107 IonicContact OD1-NZ 3.97Å; D80-K107 PolarHBondContact OD1-NZ 3.2Å; D80-K107 IonicContact OD2-NZ 2.67Å; D80-K107 PolarHBondContact OD2-NZ 3.12Å
81E96.6Very high95.4Very high69 Ų6944.1 Ų44.132%0.32222%0.224SC..Hα-helixtrans-68.5-44.7179.2-174.5-163.6161.400112.7N56 R57 F77 I78 L79N56-E81 PolarHBondContact ND2-OE2 2.84Å; R57-E81 PolarHBondContact NE-O 3.3Å; R57-E81 PolarHBondContact NH2-O 2.86Å; F77-E81 WeakPolarHBondContact O-CB 3.29Å; F77-E81 PolarHBondContact O-N 3.01Å; I78-E81 WeakPolarHBondContact O-CB 3.26Å; I78-E81 PolarHBondContact O-N 3.45Å; I78-E81 VanDerWaalsContact O-N 3.08Å; L79-E81 VanDerWaalsContact C-N 3.35Å
82I97.4Very high95.7Very high1 Ų138.7 Ų38.71%0.00520%0.201CC..Hα-helixtrans-103-12.5-169.176.3-176.6000114.2I6 N56 V60 L66 L68 I78 A84 D85 I86I6-I82 HydrophobicContact CD1-CD1 3.4Å; I6-I82 VanDerWaalsContact CD1-CD1 3.4Å; I6-I82 HydrophobicContact CD1-CG2 4.18Å; N56-I82 HydrophobicContact CB-CG2 3.85Å; V60-I82 HydrophobicContact CG2-CB 3.88Å; V60-I82 HydrophobicContact CG2-CD1 4.02Å; V60-I82 HydrophobicContact CG2-CG1 4.4Å; V60-I82 HydrophobicContact CG2-CG2 3.95Å; L66-I82 HydrophobicContact CD2-CD1 3.99Å; L68-I82 HydrophobicContact CD2-CD1 4.45Å; I78-I82 HydrophobicContact CG2-CD1 3.83Å; I78-I82 HydrophobicContact CG2-CG1 4.42Å; I78-I82 HydrophobicContact CG2-CG2 4.37Å; I78-I82 VanDerWaalsContact O-CG1 3.29Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 3.44Å; I82-A84 PolarHBondContact O-N 3.02Å; I82-A84 VanDerWaalsContact O-N 3.12Å; I82-D85 WeakPolarHBondContact O-CA 3.32Å; I82-D85 PolarHBondContact O-N 3.18Å; I82-I86 HydrophobicContact CD1-CD1 4.29Å; I82-I86 HydrophobicContact CG1-CD1 4.39Å; I82-I86 HydrophobicContact CG1-CG1 4.41Å; I82-I86 PolarHBondContact O-N 3.45Å
83G96.6Very high96.1Very high0 Ų037.5 Ų37.50%019%0.193CC..G310 helixtrans-53.8-38.5-169.100000113.5L79 D85 I86 F111L79-G83 VanDerWaalsContact O-CA 3.3Å; L79-G83 WeakPolarHBondContact O-CA 3.23Å; L79-G83 PolarHBondContact O-N 3.02Å; G83-D85 VanDerWaalsContact C-N 3.29Å; G83-D85 PolarHBondContact O-N 3.25Å; G83-I86 WeakPolarHBondContact O-CB 3.47Å; G83-I86 PolarHBondContact O-N 3.32Å; G83-F111 WeakPolarHBondContact O-CB 3.28Å
84A97.4Very high96.6Very high72 Ų7235.7 Ų35.760%0.59519%0.185SC*.G310 helixtrans-71.7-16.3177.300000114.8I82 F111I82-A84 PolarHBondContact O-N 3.02Å; I82-A84 VanDerWaalsContact O-N 3.12Å; A84-F111 HydrophobicContact CB-CD1 3.97Å; A84-F111 HydrophobicContact CB-CE1 4.43Å
85D98Very high96.8Very high21 Ų2135.2 Ų35.211%0.11218%0.184CC..G310 helixtrans-95.8-3.2175.4-64.3-85.9000112R57 V60 R61 I82 G83R57-D85 WeakPolarHBondContact CD-OD2 3.4Å; R57-D85 VanDerWaalsContact CG-OD2 3.3Å; R57-D85 WeakPolarHBondContact CG-OD2 3.48Å; R57-D85 IonicContact CZ-OD2 2.79Å; R57-D85 IonicContact NE-OD2 3.85Å; R57-D85 PolarHBondContact NE-OD2 2.78Å; V60-D85 HydrophobicContact CG1-CB 4.01Å; V60-D85 WeakPolarHBondContact CG1-O 3.48Å; R61-D85 IonicContact CZ-OD1 3.41Å; R61-D85 IonicContact NE-OD1 3.13Å; R61-D85 PolarHBondContact NE-OD1 2.85Å; R61-D85 VanDerWaalsContact NE-OD1 3.13Å; R61-D85 IonicContact NH2-OD1 2.64Å; R61-D85 PolarHBondContact NH2-OD1 3.47Å; I82-D85 WeakPolarHBondContact O-CA 3.32Å; I82-D85 PolarHBondContact O-N 3.18Å; G83-D85 VanDerWaalsContact C-N 3.29Å; G83-D85 PolarHBondContact O-N 3.25Å
86I98.1Very high96.7Very high11 Ų1135.3 Ų35.36%0.05619%0.185CC..  trans-75.9141.9173.4-59.7-65.2000109.1V60 L66 I82 G83 H90 V92 L108V60-I86 HydrophobicContact CG1-CD1 3.88Å; L66-I86 HydrophobicContact CD2-CD1 3.96Å; I82-I86 HydrophobicContact CD1-CD1 4.29Å; I82-I86 HydrophobicContact CG1-CD1 4.39Å; I82-I86 HydrophobicContact CG1-CG1 4.41Å; I82-I86 PolarHBondContact O-N 3.45Å; G83-I86 WeakPolarHBondContact O-CB 3.47Å; G83-I86 PolarHBondContact O-N 3.32Å; I86-H90 HydrophobicContact CG2-CB 4.37Å; I86-V92 HydrophobicContact CD1-CG2 4.11Å; I86-L108 HydrophobicContact CG1-CD2 4.21Å
87E97.8Very high96.6Very high90 Ų9035.5 Ų35.542%0.42119%0.19SC..  trans-140.2164.1-171.7-61.5177.6-120.700108.6R89 H90 Q112E87-R89 HydrophobicContact CB-CG 4.48Å; E87-R89 PolarHBondContact O-N 3.37Å; E87-R89 IonicContact OE1-CZ 3.29Å; E87-R89 VanDerWaalsContact OE1-CZ 3.3Å; E87-R89 IonicContact OE1-NH1 2.85Å; E87-R89 PolarHBondContact OE1-NH1 3.04Å; E87-R89 IonicContact OE1-NH2 3.7Å; E87-R89 PolarHBondContact OE1-NH2 2.73Å; E87-R89 IonicContact OE2-CZ 3.3Å; E87-R89 IonicContact OE2-NH1 2.9Å; E87-R89 PolarHBondContact OE2-NH1 3.28Å; E87-H90 PolarHBondContact N-ND1 3.12Å; E87-H90 WeakPolarHBondContact O-CB 3.27Å; E87-H90 PolarHBondContact O-N 3.12Å; E87-H90 PolarHBondContact O-ND1 2.86Å; E87-H90 IonicContact OE1-CE1 3.18Å; E87-Q112 VanDerWaalsContact C-NE2 3.3Å
88D97Very high96.3Very high119 Ų11930.7 Ų30.764%0.63617%0.169SC*.THydrogen-bonded Turntrans-56.9-27.3-174.2-64.7-26.5000114.2H90 Q112D88-H90 VanDerWaalsContact C-N 3.28Å; D88-H90 PolarHBondContact O-N 3.45Å; D88-Q112 PolarHBondContact OD1-NE2 2.97Å
89R97.2Very high96.3Very high98 Ų9830.4 Ų30.437%0.3717%0.168SC..THydrogen-bonded Turntrans-70.6-22.8178.370.1163.8-177.8-77.5-11.1113.6E87E87-R89 HydrophobicContact CB-CG 4.48Å; E87-R89 PolarHBondContact O-N 3.37Å; E87-R89 IonicContact OE1-CZ 3.29Å; E87-R89 VanDerWaalsContact OE1-CZ 3.3Å; E87-R89 IonicContact OE1-NH1 2.85Å; E87-R89 PolarHBondContact OE1-NH1 3.04Å; E87-R89 IonicContact OE1-NH2 3.7Å; E87-R89 PolarHBondContact OE1-NH2 2.73Å; E87-R89 IonicContact OE2-CZ 3.3Å; E87-R89 IonicContact OE2-NH1 2.9Å; E87-R89 PolarHBondContact OE2-NH1 3.28Å
90H98.6Very high96.3Very high2 Ų231 Ų311%0.00917%0.171CC..  trans-82.4130.8-167.5-64.7111.3000111.1V60 S63 D64 I86 E87 D88V60-H90 PolarHBondContact O-NE2 3.47Å; S63-H90 PolarHBondContact O-CD2 2.82Å; S63-H90 PolarHBondContact O-NE2 2.93Å; S63-H90 VanDerWaalsContact O-NE2 3.17Å; D64-H90 WeakPolarHBondContact O-CA 3.3Å; I86-H90 HydrophobicContact CG2-CB 4.37Å; E87-H90 PolarHBondContact N-ND1 3.12Å; E87-H90 WeakPolarHBondContact O-CB 3.27Å; E87-H90 PolarHBondContact O-N 3.12Å; E87-H90 PolarHBondContact O-ND1 2.86Å; E87-H90 IonicContact OE1-CE1 3.18Å; D88-H90 VanDerWaalsContact C-N 3.28Å; D88-H90 PolarHBondContact O-N 3.45Å
91I98.8Very high96.4Very high8 Ų827.9 Ų27.94%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-102.8111.9167-56.9166.8000107.6D64 V65 L66 V93 K116 I118 D145 L148 V149D64-I91 PolarHBondContact O-N 3.3Å; V65-I91 HydrophobicContact CG2-CD1 4.43Å; L66-I91 PolarHBondContact N-O 3.33Å; I91-V93 HydrophobicContact CG2-CG2 4.11Å; I91-K116 HydrophobicContact CG1-CD 4.33Å; I91-I118 HydrophobicContact CG2-CD1 3.9Å; I91-I118 HydrophobicContact CG2-CG1 4.38Å; I91-D145 HydrophobicContact CD1-CB 3.85Å; I91-D145 WeakPolarHBondContact CD1-OD1 3.22Å; I91-D145 HydrophobicContact CG1-CB 4.25Å; I91-L148 HydrophobicContact CD1-CD2 3.88Å; I91-V149 HydrophobicContact CG2-CG2 4.37Å
92V98.8Very high96.4Very high1 Ų130 Ų301%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-87.8111.2179.7-178.10000109.1L68 I86 L108 K116 V117 I118L68-V92 HydrophobicContact CD1-CG1 3.73Å; L68-V92 HydrophobicContact CD2-CG1 4.37Å; L68-V92 HydrophobicContact CG-CG1 3.95Å; I86-V92 HydrophobicContact CD1-CG2 4.11Å; V92-L108 HydrophobicContact CG2-CD1 4.24Å; V92-K116 PolarHBondContact N-O 2.94Å; V92-V117 HydrophobicContact CB-CG2 4.46Å; V92-V117 CarbonylContact O-C 3.43Å; V92-V117 WeakPolarHBondContact O-CA 3.47Å; V92-I118 PolarHBondContact O-N 3.5Å
93V98.8Very high96.3Very high0 Ų031.3 Ų31.30%018%0.178CC..EExtended strand (participates in β ladder)trans-103.9106.6179.8-173.80000109.6V65 L66 F67 L68 I91 I118 C120 V149V65-V93 HydrophobicContact CG1-CG2 3.73Å; L66-V93 PolarHBondContact O-N 3.2Å; F67-V93 CarbonylContact C-O 3.44Å; F67-V93 VanDerWaalsContact CA-O 3.27Å; F67-V93 WeakPolarHBondContact CA-O 3.35Å; F67-V93 HydrophobicContact CD1-CB 3.84Å; F67-V93 HydrophobicContact CD1-CG1 3.74Å; F67-V93 HydrophobicContact CE1-CB 3.96Å; F67-V93 HydrophobicContact CE1-CG1 3.6Å; F67-V93 HydrophobicContact CE1-CG2 4.47Å; F67-V93 HydrophobicContact CG-CB 4.35Å; F67-V93 HydrophobicContact CZ-CG1 4.45Å; L68-V93 PolarHBondContact N-O 2.92Å; I91-V93 HydrophobicContact CG2-CG2 4.11Å; V93-I118 CarbonylContact C-O 3.59Å; V93-I118 VanDerWaalsContact CA-O 3.26Å; V93-I118 WeakPolarHBondContact CA-O 3.28Å; V93-I118 HydrophobicContact CG2-CB 4.46Å; V93-C120 HydrophobicContact CG1-CB 3.6Å; V93-V149 HydrophobicContact CG2-CG2 3.89Å
94S98.3Very high96.3Very high0 Ų031.3 Ų31.30%018%0.178CC..EExtended strand (participates in β ladder)trans-86.4123.2178-177.50000111.5A96 I118 C120S94-A96 PolarHBondContact OG-N 2.85Å; S94-I118 PolarHBondContact N-O 2.93Å; S94-C120 PolarHBondContact O-N 3.09Å; S94-C120 VanDerWaalsContact O-O 3.08Å
95C96.2Very high96.4Very high20 Ų2028.4 Ų28.414%0.13515%0.152CC..  trans-103.39.4172.6-61.50000113.1L11 L68 C120L11-C95 HydrophobicContact CD2-CB 3.57Å; L68-C95 PolarHBondContact O-N 3.42Å; C95-C120 WeakPolarHBondContact CA-O 3.28Å
96A92.6Very high96.3Very high5 Ų535.4 Ų35.44%0.04118%0.181CC..  trans-79.5123.3-175.900000111.3P72 I75 S94 G98 V99P72-A96 HydrophobicContact CG-CB 4.46Å; I75-A96 HydrophobicContact CD1-CB 3.86Å; I75-A96 HydrophobicContact CG1-CB 3.62Å; S94-A96 PolarHBondContact OG-N 2.85Å; A96-G98 PolarHBondContact O-N 2.96Å; A96-V99 HydrophobicContact CB-CB 4.02Å; A96-V99 HydrophobicContact CB-CG2 3.6Å; A96-V99 PolarHBondContact O-N 2.93Å
97A89.3Confident96.1Very high38 Ų3837.7 Ų37.731%0.31419%0.191SC..THydrogen-bonded Turntrans-59.5129.2179.300000111.9P72 V99 T265P72-A97 WeakPolarHBondContact CB-O 3.42Å; P72-A97 HydrophobicContact CG-CB 4.34Å; P72-A97 WeakPolarHBondContact CG-O 3.45Å; A97-V99 PolarHBondContact O-N 3.15Å; A97-T265 HydrophobicContact CB-CG2 4.41Å
98G88.1Confident96.1Very high1 Ų133.4 Ų33.41%0.0117%0.171CC..THydrogen-bonded Turntrans70.97.9179.100000115.1A96 Q269A96-G98 PolarHBondContact O-N 2.96Å; G98-Q269 WeakPolarHBondContact O-CA 3.43Å; G98-Q269 WeakPolarHBondContact O-CB 3.34Å; G98-Q269 WeakPolarHBondContact O-CG 3.34Å
99V94.6Very high96.1Very high6 Ų631 Ų314%0.03616%0.16CC..  trans-93.1115.9174.2-176.30000109.1P72 I75 A96 A97 S103 I104 R119P72-V99 HydrophobicContact CB-CG2 3.76Å; I75-V99 HydrophobicContact CB-CG1 4.45Å; I75-V99 HydrophobicContact CG1-CG2 4.16Å; I75-V99 HydrophobicContact CG2-CG1 4.03Å; A96-V99 HydrophobicContact CB-CB 4.02Å; A96-V99 HydrophobicContact CB-CG2 3.6Å; A96-V99 PolarHBondContact O-N 2.93Å; A97-V99 PolarHBondContact O-N 3.15Å; V99-S103 WeakPolarHBondContact CG1-OG 3.34Å; V99-I104 HydrophobicContact CG1-CD1 3.87Å; V99-I104 HydrophobicContact CG1-CG1 3.76Å; V99-R119 WeakPolarHBondContact O-CD 3.39Å; V99-R119 PolarHBondContact O-NE 3.33Å
100T96.4Very high96Very high16 Ų1630.2 Ų30.210%0.09818%0.175CC..  trans-76.2152.8-176.159.90000112.6N102 S103 I104 E164 Q269T100-N102 VanDerWaalsContact C-N 3.26Å; T100-N102 PolarHBondContact O-N 2.88Å; T100-S103 PolarHBondContact N-OG 3.45Å; T100-S103 PolarHBondContact O-N 3.39Å; T100-S103 PolarHBondContact O-OG 2.8Å; T100-S103 VanDerWaalsContact OG1-CB 3.27Å; T100-S103 WeakPolarHBondContact OG1-CB 3.45Å; T100-S103 PolarHBondContact OG1-N 2.83Å; T100-S103 PolarHBondContact OG1-OG 2.84Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.49Å; T100-E164 WeakPolarHBondContact CA-OE1 3.33Å; T100-Q269 VanDerWaalsContact CG2-CD 3.47Å; T100-Q269 HydrophobicContact CG2-CG 4.1Å
101I97.9Very high95.8Very high8 Ų834.8 Ų34.84%0.04120%0.195CC..Hα-helixtrans-52.2-50.5168.4-66.6175.1000109.6S103 I104 E105 V117 R119 A136 G138 E164I101-S103 VanDerWaalsContact C-N 3.31Å; I101-S103 PolarHBondContact O-N 3.05Å; I101-I104 WeakPolarHBondContact O-CB 3.31Å; I101-I104 PolarHBondContact O-N 3.46Å; I101-E105 HydrophobicContact CG2-CG 4.02Å; I101-E105 PolarHBondContact O-N 3.07Å; I101-V117 HydrophobicContact CG2-CG1 4.34Å; I101-R119 HydrophobicContact CD1-CB 3.95Å; I101-R119 HydrophobicContact CG1-CB 3.5Å; I101-A136 HydrophobicContact CD1-CB 4Å; I101-G138 VanDerWaalsContact CG2-CA 3.49Å; I101-E164 HydrophobicContact CD1-CG 4.4Å; I101-E164 PolarHBondContact N-OE1 3.05Å
102N96.8Very high95.6Very high112 Ų11235.7 Ų35.760%0.59920%0.199SC*.Hα-helixtrans-56.2-41.9-179.2-178.949.1000112.8T100 I104 K106T100-N102 VanDerWaalsContact C-N 3.26Å; T100-N102 PolarHBondContact O-N 2.88Å; N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 3.43Å; N102-K106 WeakPolarHBondContact O-CB 3.38Å; N102-K106 PolarHBondContact O-N 3.37Å
103S95.2Very high95.4Very high30 Ų3040.4 Ų40.421%0.2123%0.229CC..Hα-helixtrans-63.4-36.1177.671.80000112.7V99 T100 I101V99-S103 WeakPolarHBondContact CG1-OG 3.34Å; T100-S103 PolarHBondContact N-OG 3.45Å; T100-S103 PolarHBondContact O-N 3.39Å; T100-S103 PolarHBondContact O-OG 2.8Å; T100-S103 VanDerWaalsContact OG1-CB 3.27Å; T100-S103 WeakPolarHBondContact OG1-CB 3.45Å; T100-S103 PolarHBondContact OG1-N 2.83Å; T100-S103 PolarHBondContact OG1-OG 2.84Å; I101-S103 VanDerWaalsContact C-N 3.31Å; I101-S103 PolarHBondContact O-N 3.05Å
104I97.3Very high95.3Very high0 Ų042.5 Ų42.50%025%0.247CC..Hα-helixtrans-75-50.3179.7-62.9161000110.1I75 L79 V99 T100 I101 N102 K106 K107 L108 V117I75-I104 HydrophobicContact CG2-CG1 4.42Å; L79-I104 HydrophobicContact CD1-CB 4.15Å; L79-I104 HydrophobicContact CD1-CG1 4.12Å; L79-I104 HydrophobicContact CD1-CG2 3.96Å; L79-I104 HydrophobicContact CD2-CG2 4.04Å; V99-I104 HydrophobicContact CG1-CD1 3.87Å; V99-I104 HydrophobicContact CG1-CG1 3.76Å; T100-I104 WeakPolarHBondContact O-CG1 3.4Å; T100-I104 PolarHBondContact O-N 3.49Å; I101-I104 WeakPolarHBondContact O-CB 3.31Å; I101-I104 PolarHBondContact O-N 3.46Å; N102-I104 VanDerWaalsContact C-N 3.3Å; N102-I104 PolarHBondContact O-N 3.43Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.21Å; I104-K107 PolarHBondContact O-N 2.8Å; I104-L108 HydrophobicContact CG2-CD1 3.75Å; I104-L108 HydrophobicContact CG2-CG 4.28Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 3.24Å; I104-V117 HydrophobicContact CB-CG1 4.24Å; I104-V117 HydrophobicContact CD1-CG1 4.25Å; I104-V117 HydrophobicContact CG2-CG1 3.94Å; I104-V117 HydrophobicContact CG2-CG2 3.92Å
105E97.8Very high95.3Very high10 Ų1042.6 Ų42.65%0.04725%0.247CC..Hα-helixtrans-58.3-47.4178.9-72.1-173.9161.800110.6I101 K107 L108 T109 P115 V117 G138 T139I101-E105 HydrophobicContact CG2-CG 4.02Å; I101-E105 PolarHBondContact O-N 3.07Å; E105-K107 PolarHBondContact O-N 2.89Å; E105-K107 VanDerWaalsContact O-N 3.12Å; E105-L108 PolarHBondContact O-N 2.96Å; E105-T109 WeakPolarHBondContact O-CB 3.44Å; E105-T109 PolarHBondContact O-N 3.18Å; E105-T109 PolarHBondContact O-OG1 3.12Å; E105-P115 HydrophobicContact CG-CG 4.45Å; E105-V117 HydrophobicContact CG-CB 4.02Å; E105-V117 HydrophobicContact CG-CG2 3.73Å; E105-G138 WeakPolarHBondContact OE1-CA 3.48Å; E105-T139 PolarHBondContact OE1-N 3.47Å; E105-T139 VanDerWaalsContact OE2-CB 3.31Å; E105-T139 WeakPolarHBondContact OE2-CB 3.36Å; E105-T139 PolarHBondContact OE2-OG1 2.94Å
106K95.9Very high95.4Very high169 Ų16943.2 Ų43.274%0.73525%0.248SC*.Hα-helixtrans-53.8-37.4178-175.9179.9179.1-175.10113.3N102 I104N102-K106 WeakPolarHBondContact O-CB 3.38Å; N102-K106 PolarHBondContact O-N 3.37Å; I104-K106 VanDerWaalsContact C-N 3.35Å; I104-K106 PolarHBondContact O-N 3.21Å
107K95.3Very high95.7Very high58 Ų5843 Ų4325%0.25225%0.246SC..Hα-helixtrans-75.2-44.9176.1-83.5-89.9-178.8174.60111.6L79 D80 I104 E105 A110L79-K107 HydrophobicContact CB-CB 4.18Å; L79-K107 HydrophobicContact CD1-CB 3.96Å; L79-K107 HydrophobicContact CD1-CG 4.43Å; D80-K107 WeakPolarHBondContact OD1-CD 3.42Å; D80-K107 IonicContact OD1-NZ 3.97Å; D80-K107 PolarHBondContact OD1-NZ 3.2Å; D80-K107 IonicContact OD2-NZ 2.67Å; D80-K107 PolarHBondContact OD2-NZ 3.12Å; I104-K107 PolarHBondContact O-N 2.8Å; E105-K107 PolarHBondContact O-N 2.89Å; E105-K107 VanDerWaalsContact O-N 3.12Å; K107-A110 WeakPolarHBondContact O-CB 3.32Å; K107-A110 PolarHBondContact O-N 3.45Å
108L96.9Very high96.1Very high1 Ų141.2 Ų41.21%0.00523%0.231CC..Hα-helixtrans-72.5-31.6-176.5-69.6-179.2000113.5L79 I86 V92 I104 E105 A110 F111 Q112 P115 V117L79-L108 HydrophobicContact CB-CD2 4.45Å; L79-L108 HydrophobicContact CD2-CD1 4.25Å; L79-L108 HydrophobicContact CD2-CD2 3.93Å; L79-L108 HydrophobicContact CD2-CG 4.09Å; I86-L108 HydrophobicContact CG1-CD2 4.21Å; V92-L108 HydrophobicContact CG2-CD1 4.24Å; I104-L108 HydrophobicContact CG2-CD1 3.75Å; I104-L108 HydrophobicContact CG2-CG 4.28Å; I104-L108 WeakPolarHBondContact O-CG 3.5Å; I104-L108 PolarHBondContact O-N 3.24Å; E105-L108 PolarHBondContact O-N 2.96Å; L108-A110 PolarHBondContact O-N 3.04Å; L108-A110 VanDerWaalsContact O-N 3.11Å; L108-F111 PolarHBondContact O-N 3.09Å; L108-Q112 PolarHBondContact O-N 3.31Å; L108-P115 HydrophobicContact CB-CB 3.76Å; L108-P115 HydrophobicContact CB-CG 3.83Å; L108-P115 HydrophobicContact CD1-CB 4.03Å; L108-V117 HydrophobicContact CD1-CG2 4.13Å
109T96.6Very high96.6Very high68 Ų6841.5 Ų41.542%0.41723%0.232SC..THydrogen-bonded Turntrans-61.3-20.7177.7-58.20000113E105 F111 Q112E105-T109 WeakPolarHBondContact O-CB 3.44Å; E105-T109 PolarHBondContact O-N 3.18Å; E105-T109 PolarHBondContact O-OG1 3.12Å; T109-F111 PolarHBondContact O-N 2.96Å; T109-Q112 VanDerWaalsContact CA-O 3.28Å; T109-Q112 WeakPolarHBondContact CA-O 3.34Å
110A95.2Very high96.7Very high82 Ų8241.4 Ų41.468%0.67823%0.231SC*.THydrogen-bonded Turntrans-65.1-21.5171.800000113.5K107 L108K107-A110 WeakPolarHBondContact O-CB 3.32Å; K107-A110 PolarHBondContact O-N 3.45Å; L108-A110 PolarHBondContact O-N 3.04Å; L108-A110 VanDerWaalsContact O-N 3.11Å
111F95.9Very high96.7Very high98 Ų9841.8 Ų41.843%0.4323%0.232SC..THydrogen-bonded Turntrans-116-34.7-176.9-56.5-81.1000112.7G83 A84 L108 T109G83-F111 WeakPolarHBondContact O-CB 3.28Å; A84-F111 HydrophobicContact CB-CD1 3.97Å; A84-F111 HydrophobicContact CB-CE1 4.43Å; L108-F111 PolarHBondContact O-N 3.09Å; T109-F111 PolarHBondContact O-N 2.96Å
112Q93.9Very high96.7Very high27 Ų2741.9 Ų41.913%0.12623%0.234CC..  trans-137.9117.5-173.2175.867.9-36.700109.2E87 D88 L108 T109 A114 P115E87-Q112 VanDerWaalsContact C-NE2 3.3Å; D88-Q112 PolarHBondContact OD1-NE2 2.97Å; L108-Q112 PolarHBondContact O-N 3.31Å; T109-Q112 VanDerWaalsContact CA-O 3.28Å; T109-Q112 WeakPolarHBondContact CA-O 3.34Å; Q112-A114 VanDerWaalsContact C-N 3.31Å; Q112-A114 PolarHBondContact O-N 2.86Å; Q112-P115 WeakPolarHBondContact O-CD 3.42Å
113P94.4Very high96.7Very high99 Ų9937.1 Ų37.164%0.64321%0.208SC*.SBendtrans-66-26.6-166.823.6-34.6000115
114A97.1Very high96.6Very high44 Ų4439.1 Ų39.136%0.36422%0.219SC..SBendtrans-132.969.4-177.900000111.2Q112 K116 H140Q112-A114 VanDerWaalsContact C-N 3.31Å; Q112-A114 PolarHBondContact O-N 2.86Å; A114-K116 PolarHBondContact O-N 2.63Å; A114-H140 HydrophobicContact CB-CB 4.18Å
115P97.9Very high96.6Very high2 Ų240.5 Ų40.51%0.01323%0.228CC..  trans-72.5126.1-177.730.9-32.1000110.5E105 L108 Q112 V117E105-P115 HydrophobicContact CG-CG 4.45Å; L108-P115 HydrophobicContact CB-CB 3.76Å; L108-P115 HydrophobicContact CB-CG 3.83Å; L108-P115 HydrophobicContact CD1-CB 4.03Å; Q112-P115 WeakPolarHBondContact O-CD 3.42Å; P115-V117 HydrophobicContact CB-CG2 4.32Å; P115-V117 PolarHBondContact O-N 3.26Å
116K98.6Very high96.6Very high34 Ų3440 Ų4015%0.14823%0.226CC..EExtended strand (participates in β ladder)trans-77.5104.9175.1-63.5172.8166.5-143.10109.7I91 V92 A114 D145I91-K116 HydrophobicContact CG1-CD 4.33Å; V92-K116 PolarHBondContact N-O 2.94Å; A114-K116 PolarHBondContact O-N 2.63Å; K116-D145 VanDerWaalsContact CD-OD2 3.28Å; K116-D145 WeakPolarHBondContact CD-OD2 3.33Å; K116-D145 WeakPolarHBondContact CE-OD2 3.26Å; K116-D145 IonicContact NZ-OD1 2.76Å; K116-D145 PolarHBondContact NZ-OD1 3.37Å; K116-D145 IonicContact NZ-OD2 2.76Å; K116-D145 PolarHBondContact NZ-OD2 2.85Å
117V98.7Very high96.6Very high0 Ų034 Ų340%020%0.203CC..EExtended strand (participates in β ladder)trans-115.2137.2-178.8-178.10000110.1V92 I101 I104 E105 L108 P115 G138V92-V117 HydrophobicContact CB-CG2 4.46Å; V92-V117 CarbonylContact O-C 3.43Å; V92-V117 WeakPolarHBondContact O-CA 3.47Å; I101-V117 HydrophobicContact CG2-CG1 4.34Å; I104-V117 HydrophobicContact CB-CG1 4.24Å; I104-V117 HydrophobicContact CD1-CG1 4.25Å; I104-V117 HydrophobicContact CG2-CG1 3.94Å; I104-V117 HydrophobicContact CG2-CG2 3.92Å; E105-V117 HydrophobicContact CG-CB 4.02Å; E105-V117 HydrophobicContact CG-CG2 3.73Å; L108-V117 HydrophobicContact CD1-CG2 4.13Å; P115-V117 HydrophobicContact CB-CG2 4.32Å; P115-V117 PolarHBondContact O-N 3.26Å; V117-G138 VanDerWaalsContact O-CA 3.28Å; V117-G138 WeakPolarHBondContact O-CA 3.47Å; V117-G138 PolarHBondContact O-N 2.94Å
118I98.8Very high96.6Very high0 Ų036 Ų360%022%0.22CC..EExtended strand (participates in β ladder)trans-128.7128.4169.6-67.5174.2000107.4I91 V92 V93 S94 Y135 A136 A141 D145 V149I91-I118 HydrophobicContact CG2-CD1 3.9Å; I91-I118 HydrophobicContact CG2-CG1 4.38Å; V92-I118 PolarHBondContact O-N 3.5Å; V93-I118 CarbonylContact C-O 3.59Å; V93-I118 VanDerWaalsContact CA-O 3.26Å; V93-I118 WeakPolarHBondContact CA-O 3.28Å; V93-I118 HydrophobicContact CG2-CB 4.46Å; S94-I118 PolarHBondContact N-O 2.93Å; I118-Y135 HydrophobicContact CG2-CD2 4.03Å; I118-Y135 HydrophobicContact CG2-CG 4.42Å; I118-A136 WeakPolarHBondContact CA-O 3.36Å; I118-A141 HydrophobicContact CG1-CB 4.26Å; I118-D145 HydrophobicContact CD1-CB 4.28Å; I118-V149 HydrophobicContact CD1-CB 4.12Å; I118-V149 HydrophobicContact CD1-CG2 3.53Å; I118-V149 HydrophobicContact CG2-CG1 4.3Å
119R98.4Very high96.6Very high7 Ų742 Ų423%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-91.1130.8171-179.3177174-166.2-5.9108.5V99 I101 Y135 A136 E164 I167 D168V99-R119 WeakPolarHBondContact O-CD 3.39Å; V99-R119 PolarHBondContact O-NE 3.33Å; I101-R119 HydrophobicContact CD1-CB 3.95Å; I101-R119 HydrophobicContact CG1-CB 3.5Å; R119-Y135 CarbonylContact O-C 3.49Å; R119-Y135 WeakPolarHBondContact O-CA 3.38Å; R119-A136 PolarHBondContact N-O 3.19Å; R119-A136 PolarHBondContact O-N 3.22Å; R119-E164 WeakPolarHBondContact CD-OE1 2.98Å; R119-E164 IonicContact CZ-OE1 3.26Å; R119-E164 IonicContact NE-OE1 2.96Å; R119-E164 IonicContact NH1-OE1 2.73Å; R119-E164 PolarHBondContact NH1-OE1 3.27Å; R119-I167 HydrophobicContact CB-CD1 4.29Å; R119-I167 HydrophobicContact CG-CD1 3.9Å; R119-D168 IonicContact CZ-OD1 2.59Å; R119-D168 IonicContact NH2-OD1 3.98Å; R119-D168 PolarHBondContact NH2-OD1 3.45Å
120C96.7Very high96.7Very high4 Ų445.6 Ų45.63%0.02726%0.255CS..EExtended strand (participates in β ladder)trans-127.9138.1-176.3175.50000109.4V93 S94 C95 T133 V134V93-C120 HydrophobicContact CG1-CB 3.6Å; S94-C120 PolarHBondContact O-N 3.09Å; S94-C120 VanDerWaalsContact O-O 3.08Å; C95-C120 WeakPolarHBondContact CA-O 3.28Å; C120-T133 WeakPolarHBondContact SG-CG2 3.25Å; C120-V134 WeakPolarHBondContact CA-O 3.35Å
121M96.4Very high96.8Very high24 Ų2441.8 Ų41.812%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-122.1121.8169.6-170.5-60.4132.300107.4T133 V134 I167 V170 T171M121-T133 CarbonylContact O-C 3.56Å; M121-T133 VanDerWaalsContact O-CA 3.25Å; M121-T133 WeakPolarHBondContact O-CA 3.44Å; M121-V134 HydrophobicContact CB-CG2 3.91Å; M121-V134 PolarHBondContact N-O 3.22Å; M121-V134 PolarHBondContact O-N 3.16Å; M121-I167 HydrophobicContact CB-CG2 3.71Å; M121-I167 HydrophobicContact CG-CG2 4.21Å; M121-V170 HydrophobicContact SD-CG1 4.32Å; M121-T171 HydrophobicContact CE-CG2 4.22Å; M121-T171 VanDerWaalsContact CG-OG1 3.27Å; M121-T171 WeakPolarHBondContact CG-OG1 3.5Å
122T97.6Very high97Very high11 Ų1139.4 Ų39.47%0.06722%0.216CC..  trans-138.6172.7178.5-164.60000110.5L11 L15 V126 V132 T133 M153L11-T122 HydrophobicContact CD1-CG2 3.5Å; L11-T122 HydrophobicContact CD2-CG2 4.45Å; L15-T122 HydrophobicContact CD2-CG2 4.48Å; T122-V126 VanDerWaalsContact OG1-CG1 3.27Å; T122-V126 WeakPolarHBondContact OG1-CG1 3.45Å; T122-V132 WeakPolarHBondContact CA-O 3.29Å; T122-T133 WeakPolarHBondContact CB-OG1 3.27Å; T122-T133 PolarHBondContact OG1-OG1 2.8Å; T122-M153 HydrophobicContact CG2-CE 4.1Å
123N96.6Very high97.2Very high12 Ų1238.1 Ų38.16%0.06421%0.21CC..  trans-128.6167.6-176.365.18.4000112.7P125 V126 G131 V132 S174 P178N123-P125 WeakPolarHBondContact OD1-CD 3.39Å; N123-V126 WeakPolarHBondContact O-CG1 3.4Å; N123-V126 WeakPolarHBondContact O-CG2 3.27Å; N123-V126 PolarHBondContact O-N 3.31Å; N123-G131 VanDerWaalsContact OD1-CA 3.29Å; N123-G131 WeakPolarHBondContact OD1-CA 3.4Å; N123-V132 PolarHBondContact OD1-N 2.85Å; N123-S174 WeakPolarHBondContact CB-O 3.31Å; N123-S174 PolarHBondContact ND2-O 2.75Å; N123-P178 HydrophobicContact CB-CG 4.11Å
124T93.8Very high97.4Very high72 Ų7233.7 Ų33.744%0.44218%0.182SC..G310 helixtrans-63.9-26.5-174.553.60000115.9V126 V127T124-V126 PolarHBondContact O-N 3.3Å; T124-V127 VanDerWaalsContact O-CG1 3.32Å; T124-V127 WeakPolarHBondContact O-CG1 3.17Å; T124-V127 PolarHBondContact O-N 3Å; T124-V127 VanDerWaalsContact O-N 3.16Å
125P97Very high97.5Very high28 Ų2831.8 Ų31.818%0.18217%0.165CC..G310 helixtrans-56.7-9.7172.9-30.437.4000117N123 V127 V128 R129 E130 P178N123-P125 WeakPolarHBondContact OD1-CD 3.39Å; P125-V127 PolarHBondContact O-N 2.96Å; P125-V128 WeakPolarHBondContact O-CG2 3.44Å; P125-V128 PolarHBondContact O-N 3.44Å; P125-R129 PolarHBondContact O-N 2.97Å; P125-E130 WeakPolarHBondContact CB-O 3.02Å; P125-E130 PolarHBondContact O-N 3.16Å; P125-P178 HydrophobicContact CG-CB 4.19Å; P125-P178 HydrophobicContact CG-CG 3.74Å
126V96.9Very high97.5Very high0 Ų031.9 Ų31.90%017%0.166CC..G310 helixtrans-53.5-25.5167.9-64.10000112.9A14 L15 T122 N123 T124 V128 R129 V156A14-V126 HydrophobicContact CB-CG2 3.57Å; L15-V126 HydrophobicContact CD2-CB 4.07Å; L15-V126 HydrophobicContact CD2-CG1 4.09Å; L15-V126 HydrophobicContact CD2-CG2 3.8Å; L15-V126 HydrophobicContact CG-CG2 4.13Å; T122-V126 VanDerWaalsContact OG1-CG1 3.27Å; T122-V126 WeakPolarHBondContact OG1-CG1 3.45Å; N123-V126 WeakPolarHBondContact O-CG1 3.4Å; N123-V126 WeakPolarHBondContact O-CG2 3.27Å; N123-V126 PolarHBondContact O-N 3.31Å; T124-V126 PolarHBondContact O-N 3.3Å; V126-V128 PolarHBondContact O-N 2.92Å; V126-R129 PolarHBondContact O-N 3.25Å; V126-V156 HydrophobicContact CB-CB 4.07Å; V126-V156 HydrophobicContact CB-CG2 4.03Å; V126-V156 HydrophobicContact CG1-CB 4.39Å; V126-V156 HydrophobicContact CG1-CG2 3.93Å
127V95.1Very high97.5Very high43 Ų4332.8 Ų32.826%0.26118%0.175SC..G310 helixtrans-63.4-24.4176.674.60000113.8F13 A14 K17 T124 P125F13-V127 HydrophobicContact CE1-CG2 4.43Å; A14-V127 HydrophobicContact CB-CB 4Å; K17-V127 HydrophobicContact CB-CG2 4.31Å; K17-V127 HydrophobicContact CD-CG2 3.67Å; K17-V127 HydrophobicContact CG-CG2 4.18Å; T124-V127 VanDerWaalsContact O-CG1 3.32Å; T124-V127 WeakPolarHBondContact O-CG1 3.17Å; T124-V127 PolarHBondContact O-N 3Å; T124-V127 VanDerWaalsContact O-N 3.16Å; P125-V127 PolarHBondContact O-N 2.96Å
128V95.9Very high97.5Very high100 Ų10033.2 Ų33.261%0.60618%0.179SC*.G310 helixtrans-112.913.1174.6-65.90000112.1P125 V126 E130P125-V128 WeakPolarHBondContact O-CG2 3.44Å; P125-V128 PolarHBondContact O-N 3.44Å; V126-V128 PolarHBondContact O-N 2.92Å; V128-E130 HydrophobicContact CG2-CB 4.27Å; V128-E130 PolarHBondContact O-N 2.83Å
129R97.8Very high97.4Very high126 Ų12638.4 Ų38.448%0.47521%0.211SC..THydrogen-bonded Turntrans63.523.9179.1-55.4167.756.5-153-7.7114.9P125 V126 S155 V156P125-R129 PolarHBondContact O-N 2.97Å; V126-R129 PolarHBondContact O-N 3.25Å; R129-S155 PolarHBondContact NE-O 3.04Å; R129-V156 CarbonylContact C-O 3.54Å; R129-V156 VanDerWaalsContact CA-O 3.25Å; R129-V156 WeakPolarHBondContact CA-O 3.44Å; R129-V156 CarbonylContact O-C 3.51Å
130E98.3Very high97.4Very high145 Ų14541.6 Ų41.668%0.67823%0.226SC*.  trans-11834.1174.9-63.3-67.4173.200109.8P125 V128P125-E130 WeakPolarHBondContact CB-O 3.02Å; P125-E130 PolarHBondContact O-N 3.16Å; V128-E130 HydrophobicContact CG2-CB 4.27Å; V128-E130 PolarHBondContact O-N 2.83Å
131G98Very high97.5Very high2 Ų242.3 Ų42.32%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-68.5159.8176.700000112.3N123 V156 G157 F158N123-G131 VanDerWaalsContact OD1-CA 3.29Å; N123-G131 WeakPolarHBondContact OD1-CA 3.4Å; G131-V156 PolarHBondContact N-O 3.32Å; G131-G157 CarbonylContact O-C 3.47Å; G131-G157 VanDerWaalsContact O-CA 3.27Å; G131-G157 WeakPolarHBondContact O-CA 3.46Å; G131-F158 PolarHBondContact O-N 3.26Å
132V98.4Very high97.5Very high47 Ų4745.7 Ų45.729%0.28525%0.248SC..EExtended strand (participates in β ladder)trans-119119.7165.8179.10000106.9T122 N123 F158T122-V132 WeakPolarHBondContact CA-O 3.29Å; N123-V132 PolarHBondContact OD1-N 2.85Å; V132-F158 HydrophobicContact CG1-CD1 4.06Å
133T98.6Very high97.5Very high0 Ų049.9 Ų49.90%027%0.273CS..EExtended strand (participates in β ladder)trans-122.6137-179.7-54.70000109.7C120 M121 T122 M153 F158 C159 T160C120-T133 WeakPolarHBondContact SG-CG2 3.25Å; M121-T133 CarbonylContact O-C 3.56Å; M121-T133 VanDerWaalsContact O-CA 3.25Å; M121-T133 WeakPolarHBondContact O-CA 3.44Å; T122-T133 WeakPolarHBondContact CB-OG1 3.27Å; T122-T133 PolarHBondContact OG1-OG1 2.8Å; T133-M153 HydrophobicContact CG2-CB 4Å; T133-M153 HydrophobicContact CG2-CE 3.56Å; T133-M153 HydrophobicContact CG2-CG 4.1Å; T133-M153 WeakPolarHBondContact OG1-CE 3.38Å; T133-F158 PolarHBondContact N-O 3.33Å; T133-C159 VanDerWaalsContact O-CA 3.31Å; T133-C159 WeakPolarHBondContact O-CA 3.27Å; T133-T160 PolarHBondContact O-N 2.84Å
134V98.5Very high97.6Very high7 Ų754.4 Ų54.44%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-124152.7161.8-58.90000109.2C120 M121 T160 V162 I167 V170C120-V134 WeakPolarHBondContact CA-O 3.35Å; M121-V134 HydrophobicContact CB-CG2 3.91Å; M121-V134 PolarHBondContact N-O 3.22Å; M121-V134 PolarHBondContact O-N 3.16Å; V134-T160 VanDerWaalsContact CA-O 3.31Å; V134-T160 WeakPolarHBondContact CA-O 3.46Å; V134-T160 HydrophobicContact CG1-CG2 4.06Å; V134-V162 HydrophobicContact CB-CG1 3.98Å; V134-V162 HydrophobicContact CB-CG2 3.72Å; V134-V162 HydrophobicContact CG1-CG1 3.93Å; V134-V162 HydrophobicContact CG1-CG2 4.49Å; V134-V162 HydrophobicContact CG2-CG2 3.91Å; V134-I167 HydrophobicContact CG2-CG1 4.22Å; V134-V170 HydrophobicContact CB-CG1 4.37Å; V134-V170 HydrophobicContact CG1-CG1 3.87Å; V134-V170 HydrophobicContact CG1-CG2 4.23Å; V134-V170 HydrophobicContact CG2-CB 3.96Å; V134-V170 HydrophobicContact CG2-CG1 3.57Å; V134-V170 HydrophobicContact CG2-CG2 4.09Å
135Y98.7Very high97.8Very high3 Ų351.6 Ų51.61%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-140.6154.1176.172.7-84.3000112I118 R119 T137 E150 T160 E161 V162I118-Y135 HydrophobicContact CG2-CD2 4.03Å; I118-Y135 HydrophobicContact CG2-CG 4.42Å; R119-Y135 CarbonylContact O-C 3.49Å; R119-Y135 WeakPolarHBondContact O-CA 3.38Å; Y135-T137 HydrophobicContact CD2-CG2 4.32Å; Y135-T137 HydrophobicContact CE2-CG2 4.06Å; Y135-E150 HydrophobicContact CE1-CB 3.7Å; Y135-E150 HydrophobicContact CE1-CG 3.93Å; Y135-E150 PolarHBondContact OH-OE2 3.32Å; Y135-T160 WeakPolarHBondContact CD1-O 3.14Å; Y135-T160 PolarHBondContact N-O 2.76Å; Y135-T160 VanDerWaalsContact N-O 3.14Å; Y135-E161 HydrophobicContact CD2-CG 4.36Å; Y135-E161 HydrophobicContact CE1-CB 3.97Å; Y135-E161 HydrophobicContact CE2-CB 3.98Å; Y135-E161 HydrophobicContact CE2-CG 3.87Å; Y135-E161 CarbonylContact O-C 3.56Å; Y135-E161 WeakPolarHBondContact O-CA 3.27Å; Y135-V162 PolarHBondContact O-N 2.94Å
136A98.8Very high97.8Very high5 Ų550.4 Ų50.44%0.04127%0.269CS..EExtended strand (participates in β ladder)trans-127.5137170.700000109I101 I118 R119 V162 E164 I167I101-A136 HydrophobicContact CD1-CB 4Å; I118-A136 WeakPolarHBondContact CA-O 3.36Å; R119-A136 PolarHBondContact N-O 3.19Å; R119-A136 PolarHBondContact O-N 3.22Å; A136-V162 WeakPolarHBondContact CB-O 3.18Å; A136-E164 HydrophobicContact CB-CB 3.87Å; A136-I167 HydrophobicContact CB-CD1 3.75Å
137T98.6Very high97.9Very high53 Ų5357.7 Ų57.733%0.32530%0.296SS..EExtended strand (participates in β ladder)trans-86137.1179.857.70000111.5Y135Y135-T137 HydrophobicContact CD2-CG2 4.32Å; Y135-T137 HydrophobicContact CE2-CG2 4.06Å
138G98.3Very high98Very high9 Ų958.2 Ų58.29%0.09330%0.297CS..  trans-78.5177.2175.300000114I101 E105 V117 H140 A141I101-G138 VanDerWaalsContact CG2-CA 3.49Å; E105-G138 WeakPolarHBondContact OE1-CA 3.48Å; V117-G138 VanDerWaalsContact O-CA 3.28Å; V117-G138 WeakPolarHBondContact O-CA 3.47Å; V117-G138 PolarHBondContact O-N 2.94Å; G138-H140 PolarHBondContact O-N 2.86Å; G138-A141 PolarHBondContact O-N 3.02Å
139T98.1Very high98.1Very high108 Ų10853.4 Ų53.466%0.66327%0.268SS*.THydrogen-bonded Turntrans-59-35-170.5-49.20000112.4E105E105-T139 PolarHBondContact OE1-N 3.47Å; E105-T139 VanDerWaalsContact OE2-CB 3.31Å; E105-T139 WeakPolarHBondContact OE2-CB 3.36Å; E105-T139 PolarHBondContact OE2-OG1 2.94Å
140H98.1Very high98.2Very high75 Ų7550.8 Ų50.835%0.34726%0.262SS..THydrogen-bonded Turntrans-108.73.2-175.7-54.5-68.9000113.8A114 G138A114-H140 HydrophobicContact CB-CB 4.18Å; G138-H140 PolarHBondContact O-N 2.86Å
141A97.9Very high98.1Very high19 Ų1950.8 Ų50.816%0.15726%0.262CS..  trans-73134.3175.100000110.1I118 G138I118-A141 HydrophobicContact CG1-CB 4.26Å; G138-A141 PolarHBondContact O-N 3.02Å
142Q97.6Very high98.1Very high95 Ų9551.1 Ų51.144%0.44426%0.263SS..  trans-84.4160.2176-59-179.7-67.700110.4E144 D145 G146Q142-E144 HydrophobicContact CB-CG 3.86Å; Q142-E144 PolarHBondContact O-N 2.67Å; Q142-D145 WeakPolarHBondContact CB-OD2 3.26Å; Q142-D145 PolarHBondContact N-OD2 2.72Å; Q142-D145 WeakPolarHBondContact O-CA 3.32Å; Q142-D145 WeakPolarHBondContact O-CB 3.41Å; Q142-D145 PolarHBondContact O-N 3.31Å; Q142-G146 PolarHBondContact O-N 3.27Å
143V96.9Very high98.1Very high98 Ų9848.9 Ų48.959%0.59425%0.249SC*.Hα-helixtrans-57.4-40178.3177.30000111.2D145 G146 R147V143-D145 VanDerWaalsContact C-N 3.31Å; V143-D145 PolarHBondContact O-N 3.23Å; V143-G146 PolarHBondContact O-N 3.28Å; V143-R147 WeakPolarHBondContact O-CG 3.32Å; V143-R147 PolarHBondContact O-N 3.38Å
144E97.8Very high98.1Very high108 Ų10850.7 Ų50.751%0.50527%0.268SS..Hα-helixtrans-61.7-3217341.5-89.6-159.400114.2Q142 L148Q142-E144 HydrophobicContact CB-CG 3.86Å; Q142-E144 PolarHBondContact O-N 2.67Å; E144-L148 WeakPolarHBondContact O-CB 3.29Å; E144-L148 PolarHBondContact O-N 3.41Å
145D98.3Very high98.1Very high12 Ų1251.3 Ų51.36%0.06427%0.273CS..Hα-helixtrans-68.4-44177-58.6-39.4000110.3I91 K116 I118 Q142 V143 L148 V149I91-D145 HydrophobicContact CD1-CB 3.85Å; I91-D145 WeakPolarHBondContact CD1-OD1 3.22Å; I91-D145 HydrophobicContact CG1-CB 4.25Å; K116-D145 VanDerWaalsContact CD-OD2 3.28Å; K116-D145 WeakPolarHBondContact CD-OD2 3.33Å; K116-D145 WeakPolarHBondContact CE-OD2 3.26Å; K116-D145 IonicContact NZ-OD1 2.76Å; K116-D145 PolarHBondContact NZ-OD1 3.37Å; K116-D145 IonicContact NZ-OD2 2.76Å; K116-D145 PolarHBondContact NZ-OD2 2.85Å; I118-D145 HydrophobicContact CD1-CB 4.28Å; Q142-D145 WeakPolarHBondContact CB-OD2 3.26Å; Q142-D145 PolarHBondContact N-OD2 2.72Å; Q142-D145 WeakPolarHBondContact O-CA 3.32Å; Q142-D145 WeakPolarHBondContact O-CB 3.41Å; Q142-D145 PolarHBondContact O-N 3.31Å; V143-D145 VanDerWaalsContact C-N 3.31Å; V143-D145 PolarHBondContact O-N 3.23Å; D145-L148 PolarHBondContact O-N 3.28Å; D145-V149 PolarHBondContact O-N 3.02Å; D145-V149 VanDerWaalsContact O-N 3.09Å
146G98.1Very high98Very high3 Ų351.2 Ų51.23%0.03127%0.272CS..Hα-helixtrans-60.3-48.7174.500000112.2Q142 V143 L148 V149 E150Q142-G146 PolarHBondContact O-N 3.27Å; V143-G146 PolarHBondContact O-N 3.28Å; G146-L148 VanDerWaalsContact C-N 3.28Å; G146-L148 PolarHBondContact O-N 3.24Å; G146-V149 PolarHBondContact O-N 2.94Å; G146-V149 VanDerWaalsContact O-N 3.16Å; G146-E150 WeakPolarHBondContact O-CB 3.44Å; G146-E150 PolarHBondContact O-N 3.04Å
147R98.1Very high98Very high153 Ų15351.7 Ų51.758%0.57728%0.278SS*.Hα-helixtrans-58.3-38.7175.9-72.9176.5-179.5172.72.5112.8V143 E150 Q151V143-R147 WeakPolarHBondContact O-CG 3.32Å; V143-R147 PolarHBondContact O-N 3.38Å; R147-E150 PolarHBondContact O-N 3.48Å; R147-Q151 WeakPolarHBondContact O-CB 3.44Å; R147-Q151 VanDerWaalsContact O-CG 3.29Å; R147-Q151 WeakPolarHBondContact O-CG 3.25Å; R147-Q151 PolarHBondContact O-N 3.46Å
148L98.2Very high98Very high54 Ų5455.2 Ų55.228%0.28329%0.289SS..Hα-helixtrans-65-45.5177.5-179.562.3000111.4M1 V65 I91 E144 D145 G146 E150 Q151 L152M1-L148 HydrophobicContact CE-CD1 4.43Å; M1-L148 HydrophobicContact SD-CD1 3.73Å; M1-L148 HydrophobicContact SD-CD2 3.87Å; M1-L148 HydrophobicContact SD-CG 4.08Å; V65-L148 HydrophobicContact CG2-CD2 4.14Å; I91-L148 HydrophobicContact CD1-CD2 3.88Å; E144-L148 WeakPolarHBondContact O-CB 3.29Å; E144-L148 PolarHBondContact O-N 3.41Å; D145-L148 PolarHBondContact O-N 3.28Å; G146-L148 VanDerWaalsContact C-N 3.28Å; G146-L148 PolarHBondContact O-N 3.24Å; L148-E150 VanDerWaalsContact C-N 3.35Å; L148-Q151 PolarHBondContact O-N 3.41Å; L148-L152 VanDerWaalsContact O-CB 3.31Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 PolarHBondContact O-N 3.14Å
149V97.9Very high98Very high0 Ų055.5 Ų55.50%029%0.289CS..Hα-helixtrans-64.4-41.3176.6172.60000110.9I91 V93 I118 D145 G146 L152 M153I91-V149 HydrophobicContact CG2-CG2 4.37Å; V93-V149 HydrophobicContact CG2-CG2 3.89Å; I118-V149 HydrophobicContact CD1-CB 4.12Å; I118-V149 HydrophobicContact CD1-CG2 3.53Å; I118-V149 HydrophobicContact CG2-CG1 4.3Å; D145-V149 PolarHBondContact O-N 3.02Å; D145-V149 VanDerWaalsContact O-N 3.09Å; G146-V149 PolarHBondContact O-N 2.94Å; G146-V149 VanDerWaalsContact O-N 3.16Å; V149-L152 PolarHBondContact O-N 3.35Å; V149-M153 HydrophobicContact CG1-CG 4.01Å; V149-M153 WeakPolarHBondContact O-CB 3.39Å; V149-M153 VanDerWaalsContact O-CG 3.26Å; V149-M153 WeakPolarHBondContact O-CG 3.27Å; V149-M153 PolarHBondContact O-N 2.96Å
150E98.4Very high98Very high71 Ų7152.7 Ų52.733%0.33227%0.272SS..Hα-helixtrans-61.4-46.4176.3-170.6169.5-153.100112.3Y135 G146 R147 L148 L152 G154 C159Y135-E150 HydrophobicContact CE1-CB 3.7Å; Y135-E150 HydrophobicContact CE1-CG 3.93Å; Y135-E150 PolarHBondContact OH-OE2 3.32Å; G146-E150 WeakPolarHBondContact O-CB 3.44Å; G146-E150 PolarHBondContact O-N 3.04Å; R147-E150 PolarHBondContact O-N 3.48Å; L148-E150 VanDerWaalsContact C-N 3.35Å; E150-L152 PolarHBondContact O-N 3.15Å; E150-G154 WeakPolarHBondContact O-CA 3.17Å; E150-G154 PolarHBondContact O-N 3.36Å; E150-C159 HydrophobicContact CG-CB 4.43Å
151Q97.8Very high98.1Very high145 Ų14553.9 Ų53.968%0.67828%0.278SS*.Hα-helixtrans-62.5-43175.6-75.2178.9-1.800112.1R147 L148 S155R147-Q151 WeakPolarHBondContact O-CB 3.44Å; R147-Q151 VanDerWaalsContact O-CG 3.29Å; R147-Q151 WeakPolarHBondContact O-CG 3.25Å; R147-Q151 PolarHBondContact O-N 3.46Å; L148-Q151 PolarHBondContact O-N 3.41Å; Q151-S155 PolarHBondContact O-N 3.23Å
152L97.7Very high98.1Very high9 Ų954.4 Ų54.45%0.04728%0.279CS..Hα-helixtrans-64.6-51.6-18018060.1000110.9M1 V3 F19 V24 L25 F67 L148 V149 E150 G154 S155M1-L152 HydrophobicContact CE-CD1 4.22Å; V3-L152 HydrophobicContact CG2-CD2 4.35Å; F19-L152 HydrophobicContact CD1-CD1 3.83Å; F19-L152 HydrophobicContact CD1-CG 4.35Å; F19-L152 HydrophobicContact CD2-CD1 4.41Å; F19-L152 HydrophobicContact CE1-CD1 3.75Å; F19-L152 HydrophobicContact CE1-CG 3.75Å; F19-L152 WeakPolarHBondContact CE1-O 3.42Å; F19-L152 HydrophobicContact CE2-CD1 4.3Å; F19-L152 HydrophobicContact CE2-CD2 4.35Å; F19-L152 HydrophobicContact CE2-CG 4.29Å; F19-L152 HydrophobicContact CG-CD1 4.19Å; F19-L152 HydrophobicContact CZ-CD1 3.99Å; F19-L152 HydrophobicContact CZ-CD2 4.12Å; F19-L152 HydrophobicContact CZ-CG 3.71Å; V24-L152 HydrophobicContact CG2-CD1 4.18Å; L25-L152 HydrophobicContact CD1-CD1 3.87Å; L25-L152 HydrophobicContact CG-CD1 4.45Å; F67-L152 HydrophobicContact CE2-CD2 3.99Å; F67-L152 HydrophobicContact CZ-CD2 3.97Å; L148-L152 VanDerWaalsContact O-CB 3.31Å; L148-L152 WeakPolarHBondContact O-CB 3.4Å; L148-L152 PolarHBondContact O-N 3.14Å; V149-L152 PolarHBondContact O-N 3.35Å; E150-L152 PolarHBondContact O-N 3.15Å; L152-G154 VanDerWaalsContact C-N 3.35Å; L152-S155 WeakPolarHBondContact O-CB 3.44Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.06Å
153M98.3Very high98.1Very high0 Ų056.7 Ų56.70%029%0.29CS..Hα-helixtrans-71.2-30.6-179.3-63.5-58.8-69.400112.3L15 F19 F67 T122 T133 V149 S155 V156 G157 C159L15-M153 HydrophobicContact CD2-CE 3.71Å; L15-M153 HydrophobicContact CD2-SD 4.12Å; F19-M153 HydrophobicContact CE1-SD 4.23Å; F19-M153 HydrophobicContact CZ-SD 3.75Å; F67-M153 HydrophobicContact CE1-SD 3.95Å; F67-M153 HydrophobicContact CZ-SD 4Å; T122-M153 HydrophobicContact CG2-CE 4.1Å; T133-M153 HydrophobicContact CG2-CB 4Å; T133-M153 HydrophobicContact CG2-CE 3.56Å; T133-M153 HydrophobicContact CG2-CG 4.1Å; T133-M153 WeakPolarHBondContact OG1-CE 3.38Å; V149-M153 HydrophobicContact CG1-CG 4.01Å; V149-M153 WeakPolarHBondContact O-CB 3.39Å; V149-M153 VanDerWaalsContact O-CG 3.26Å; V149-M153 WeakPolarHBondContact O-CG 3.27Å; V149-M153 PolarHBondContact O-N 2.96Å; M153-S155 PolarHBondContact O-N 3.29Å; M153-V156 WeakPolarHBondContact O-CG2 3.34Å; M153-V156 PolarHBondContact O-N 3.41Å; M153-V156 VanDerWaalsContact O-N 3.1Å; M153-G157 PolarHBondContact O-N 3.1Å; M153-C159 HydrophobicContact CB-CB 4.14Å; M153-C159 VanDerWaalsContact CB-SG 3.58Å
154G98.1Very high98.2Very high38 Ų3854.4 Ų54.439%0.39227%0.273SS..Hα-helixtrans-62.6-22.817300000113.7E150 L152 V156 G157E150-G154 WeakPolarHBondContact O-CA 3.17Å; E150-G154 PolarHBondContact O-N 3.36Å; L152-G154 VanDerWaalsContact C-N 3.35Å; G154-V156 PolarHBondContact O-N 3.03Å; G154-G157 CarbonylContact C-O 3.52Å; G154-G157 WeakPolarHBondContact CA-O 3.01Å; G154-G157 VanDerWaalsContact O-O 3.14Å
155S98Very high98.1Very high20 Ų2054.9 Ų54.914%0.1428%0.279CS..THydrogen-bonded Turntrans-69.3-18.9174.776.90000113.9V24 R129 Q151 L152 M153V24-S155 WeakPolarHBondContact CG2-OG 3.34Å; R129-S155 PolarHBondContact NE-O 3.04Å; Q151-S155 PolarHBondContact O-N 3.23Å; L152-S155 WeakPolarHBondContact O-CB 3.44Å; L152-S155 PolarHBondContact O-N 3.49Å; L152-S155 PolarHBondContact O-OG 3.06Å; M153-S155 PolarHBondContact O-N 3.29Å
156V98Very high98.1Very high0 Ų058.5 Ų58.50%030%0.298CS..THydrogen-bonded Turntrans-11912.8-176.3-62.80000113.5L15 F19 V126 R129 G131 M153 G154L15-V156 HydrophobicContact CD2-CG2 4.29Å; F19-V156 HydrophobicContact CD1-CG1 3.54Å; F19-V156 HydrophobicContact CD1-CG2 4.33Å; F19-V156 HydrophobicContact CE1-CG1 3.88Å; F19-V156 HydrophobicContact CE1-CG2 3.78Å; F19-V156 HydrophobicContact CG-CG1 4.49Å; V126-V156 HydrophobicContact CB-CB 4.07Å; V126-V156 HydrophobicContact CB-CG2 4.03Å; V126-V156 HydrophobicContact CG1-CB 4.39Å; V126-V156 HydrophobicContact CG1-CG2 3.93Å; R129-V156 CarbonylContact C-O 3.54Å; R129-V156 VanDerWaalsContact CA-O 3.25Å; R129-V156 WeakPolarHBondContact CA-O 3.44Å; R129-V156 CarbonylContact O-C 3.51Å; G131-V156 PolarHBondContact N-O 3.32Å; M153-V156 WeakPolarHBondContact O-CG2 3.34Å; M153-V156 PolarHBondContact O-N 3.41Å; M153-V156 VanDerWaalsContact O-N 3.1Å; G154-V156 PolarHBondContact O-N 3.03Å
157G98.1Very high98.1Very high16 Ų1658.5 Ų58.517%0.16530%0.297CS..EExtended strand (participates in β ladder)trans151.8-163.1173.400000113.3G131 M153 G154G131-G157 CarbonylContact O-C 3.47Å; G131-G157 VanDerWaalsContact O-CA 3.27Å; G131-G157 WeakPolarHBondContact O-CA 3.46Å; M153-G157 PolarHBondContact O-N 3.1Å; G154-G157 CarbonylContact C-O 3.52Å; G154-G157 WeakPolarHBondContact CA-O 3.01Å; G154-G157 VanDerWaalsContact O-O 3.14Å
158F98.5Very high97.9Very high126 Ų12651.7 Ų51.755%0.55327%0.272SS*.EExtended strand (participates in β ladder)trans-66.7134.9171.5176.3-96.7000110.1G131 V132 T133 T160G131-F158 PolarHBondContact O-N 3.26Å; V132-F158 HydrophobicContact CG1-CD1 4.06Å; T133-F158 PolarHBondContact N-O 3.33Å; F158-T160 HydrophobicContact CE1-CG2 3.54Å; F158-T160 HydrophobicContact CZ-CG2 3.71Å
159C98.6Very high97.9Very high15 Ų1551.1 Ų51.110%0.10128%0.275CS..EExtended strand (participates in β ladder)trans-139.9136.8174.9-163.90000109.4T133 E150 M153T133-C159 VanDerWaalsContact O-CA 3.31Å; T133-C159 WeakPolarHBondContact O-CA 3.27Å; E150-C159 HydrophobicContact CG-CB 4.43Å; M153-C159 HydrophobicContact CB-CB 4.14Å; M153-C159 VanDerWaalsContact CB-SG 3.58Å
160T98.4Very high97.9Very high50 Ų5052.5 Ų52.531%0.30728%0.283SS..EExtended strand (participates in β ladder)trans-151.1149.7173.3-172.10000110.3T133 V134 Y135 F158 V162T133-T160 PolarHBondContact O-N 2.84Å; V134-T160 VanDerWaalsContact CA-O 3.31Å; V134-T160 WeakPolarHBondContact CA-O 3.46Å; V134-T160 HydrophobicContact CG1-CG2 4.06Å; Y135-T160 WeakPolarHBondContact CD1-O 3.14Å; Y135-T160 PolarHBondContact N-O 2.76Å; Y135-T160 VanDerWaalsContact N-O 3.14Å; F158-T160 HydrophobicContact CE1-CG2 3.54Å; F158-T160 HydrophobicContact CZ-CG2 3.71Å; T160-V162 HydrophobicContact CG2-CG1 4.12Å
161E98.6Very high97.7Very high99 Ų9949.7 Ų49.746%0.46327%0.271SS..EExtended strand (participates in β ladder)trans-71.3143.6167.8-166.1170.6-167.700110.4Y135Y135-E161 HydrophobicContact CD2-CG 4.36Å; Y135-E161 HydrophobicContact CE1-CB 3.97Å; Y135-E161 HydrophobicContact CE2-CB 3.98Å; Y135-E161 HydrophobicContact CE2-CG 3.87Å; Y135-E161 CarbonylContact O-C 3.56Å; Y135-E161 WeakPolarHBondContact O-CA 3.27Å
162V98.5Very high97.7Very high31 Ų3142.8 Ų42.819%0.18824%0.239CC..  trans-143.6160.3174.3-60.30000109.9V134 Y135 A136 T160 I167V134-V162 HydrophobicContact CB-CG1 3.98Å; V134-V162 HydrophobicContact CB-CG2 3.72Å; V134-V162 HydrophobicContact CG1-CG1 3.93Å; V134-V162 HydrophobicContact CG1-CG2 4.49Å; V134-V162 HydrophobicContact CG2-CG2 3.91Å; Y135-V162 PolarHBondContact O-N 2.94Å; A136-V162 WeakPolarHBondContact CB-O 3.18Å; T160-V162 HydrophobicContact CG2-CG1 4.12Å; V162-I167 HydrophobicContact CG2-CD1 4.42Å; V162-I167 HydrophobicContact CG2-CG1 3.8Å
163E98.1Very high97.7Very high143 Ų14347.7 Ų47.767%0.66827%0.265SS*.  trans-63.2142166.2-63.4-59.2147.400110.9D165 L166E163-D165 WeakPolarHBondContact CB-OD1 3.17Å; E163-D165 PolarHBondContact O-N 3.38Å; E163-L166 HydrophobicContact CB-CD1 4.48Å; E163-L166 HydrophobicContact CB-CG 4.43Å; E163-L166 WeakPolarHBondContact O-CB 3.21Å; E163-L166 PolarHBondContact O-N 3.47Å; E163-L166 VanDerWaalsContact O-N 3.12Å
164E98Very high97.7Very high50 Ų5048.6 Ų48.623%0.23427%0.271CS..G310 helixtrans-59.2-34.1-174-177.3176.9-165.600112.6T100 I101 R119 A136 L166 I167T100-E164 WeakPolarHBondContact CA-OE1 3.33Å; I101-E164 HydrophobicContact CD1-CG 4.4Å; I101-E164 PolarHBondContact N-OE1 3.05Å; R119-E164 WeakPolarHBondContact CD-OE1 2.98Å; R119-E164 IonicContact CZ-OE1 3.26Å; R119-E164 IonicContact NE-OE1 2.96Å; R119-E164 IonicContact NH1-OE1 2.73Å; R119-E164 PolarHBondContact NH1-OE1 3.27Å; A136-E164 HydrophobicContact CB-CB 3.87Å; E164-L166 PolarHBondContact O-N 2.86Å; E164-I167 HydrophobicContact CG-CD1 4.43Å; E164-I167 WeakPolarHBondContact O-CB 3.29Å; E164-I167 PolarHBondContact O-N 3.01Å; E164-I167 VanDerWaalsContact O-N 3.1Å
165D96.8Very high97.5Very high118 Ų11847.7 Ų47.763%0.63126%0.261SS*.G310 helixtrans-66.2-20.2-178.468.2-19.1000113.6E163E163-D165 WeakPolarHBondContact CB-OD1 3.17Å; E163-D165 PolarHBondContact O-N 3.38Å
166L97.8Very high97.5Very high88 Ų8848.4 Ų48.446%0.46127%0.266SS..G310 helixtrans-81.5-20.2175-59.6-179.1000112.9E163 E164 D168 A169 V170E163-L166 HydrophobicContact CB-CD1 4.48Å; E163-L166 HydrophobicContact CB-CG 4.43Å; E163-L166 WeakPolarHBondContact O-CB 3.21Å; E163-L166 PolarHBondContact O-N 3.47Å; E163-L166 VanDerWaalsContact O-N 3.12Å; E164-L166 PolarHBondContact O-N 2.86Å; L166-D168 VanDerWaalsContact C-N 3.26Å; L166-D168 PolarHBondContact O-N 3.34Å; L166-A169 WeakPolarHBondContact O-CB 3.12Å; L166-A169 PolarHBondContact O-N 3.37Å; L166-V170 WeakPolarHBondContact O-CG2 3.41Å; L166-V170 PolarHBondContact O-N 3.17Å
167I97.7Very high97.5Very high2 Ų249.2 Ų49.21%0.0128%0.275CS..Hα-helixtrans-60.8-34.4-171.6-68-176.2000112.3R119 M121 V134 A136 V162 E164 A169 V170 T171R119-I167 HydrophobicContact CB-CD1 4.29Å; R119-I167 HydrophobicContact CG-CD1 3.9Å; M121-I167 HydrophobicContact CB-CG2 3.71Å; M121-I167 HydrophobicContact CG-CG2 4.21Å; V134-I167 HydrophobicContact CG2-CG1 4.22Å; A136-I167 HydrophobicContact CB-CD1 3.75Å; V162-I167 HydrophobicContact CG2-CD1 4.42Å; V162-I167 HydrophobicContact CG2-CG1 3.8Å; E164-I167 HydrophobicContact CG-CD1 4.43Å; E164-I167 WeakPolarHBondContact O-CB 3.29Å; E164-I167 PolarHBondContact O-N 3.01Å; E164-I167 VanDerWaalsContact O-N 3.1Å; I167-A169 VanDerWaalsContact C-N 3.35Å; I167-V170 PolarHBondContact O-N 2.78Å; I167-T171 PolarHBondContact O-N 2.81Å; I167-T171 PolarHBondContact O-OG1 2.59Å
168D95.1Very high97.4Very high10 Ų1049.3 Ų49.35%0.05327%0.273CS..Hα-helixtrans-67.7-37.4178.3-63-16000111.8R119 L166 T171 G172 T265 R266R119-D168 IonicContact CZ-OD1 2.59Å; R119-D168 IonicContact NH2-OD1 3.98Å; R119-D168 PolarHBondContact NH2-OD1 3.45Å; L166-D168 VanDerWaalsContact C-N 3.26Å; L166-D168 PolarHBondContact O-N 3.34Å; D168-T171 WeakPolarHBondContact O-CB 3.22Å; D168-T171 PolarHBondContact O-N 2.95Å; D168-G172 PolarHBondContact O-N 3.27Å; D168-T265 HydrophobicContact CB-CG2 4.29Å; D168-R266 HydrophobicContact CB-CG 4.2Å; D168-R266 WeakPolarHBondContact OD2-CG 3.48Å
169A97.7Very high97.4Very high43 Ų4345.9 Ų45.936%0.35527%0.268SS..Hα-helixtrans-68.9-41174.600000111.1L166 I167 T171 G172 L173L166-A169 WeakPolarHBondContact O-CB 3.12Å; L166-A169 PolarHBondContact O-N 3.37Å; I167-A169 VanDerWaalsContact C-N 3.35Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 2.87Å; A169-G172 PolarHBondContact O-N 3.25Å; A169-G172 VanDerWaalsContact O-N 3.11Å; A169-L173 PolarHBondContact O-N 2.81Å; A169-L173 VanDerWaalsContact O-N 3.15Å
170V97.4Very high97.4Very high29 Ų2948.1 Ų48.118%0.17627%0.274CS..Hα-helixtrans-60.3-40174.2176.40000111.1M121 V134 L166 I167 G172 L173 S174 G175M121-V170 HydrophobicContact SD-CG1 4.32Å; V134-V170 HydrophobicContact CB-CG1 4.37Å; V134-V170 HydrophobicContact CG1-CG1 3.87Å; V134-V170 HydrophobicContact CG1-CG2 4.23Å; V134-V170 HydrophobicContact CG2-CB 3.96Å; V134-V170 HydrophobicContact CG2-CG1 3.57Å; V134-V170 HydrophobicContact CG2-CG2 4.09Å; L166-V170 WeakPolarHBondContact O-CG2 3.41Å; L166-V170 PolarHBondContact O-N 3.17Å; I167-V170 PolarHBondContact O-N 2.78Å; V170-G172 VanDerWaalsContact C-N 3.26Å; V170-G172 PolarHBondContact O-N 2.91Å; V170-L173 PolarHBondContact O-N 2.88Å; V170-L173 VanDerWaalsContact O-N 3.08Å; V170-S174 WeakPolarHBondContact CG1-OG 3.29Å; V170-S174 PolarHBondContact O-N 2.92Å; V170-S174 PolarHBondContact O-OG 3.42Å; V170-G175 PolarHBondContact O-N 2.99Å
171T94.8Very high97.4Very high11 Ų1147.7 Ų47.77%0.06728%0.276CS..Iπ-helixtrans-55.7-43.3174.7-57.50000111.3M121 I167 D168 A169 L173 G175 S176 T265M121-T171 HydrophobicContact CE-CG2 4.22Å; M121-T171 VanDerWaalsContact CG-OG1 3.27Å; M121-T171 WeakPolarHBondContact CG-OG1 3.5Å; I167-T171 PolarHBondContact O-N 2.81Å; I167-T171 PolarHBondContact O-OG1 2.59Å; D168-T171 WeakPolarHBondContact O-CB 3.22Å; D168-T171 PolarHBondContact O-N 2.95Å; A169-T171 VanDerWaalsContact C-N 3.28Å; A169-T171 PolarHBondContact O-N 2.87Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 2.79Å; T171-G175 CarbonylContact O-C 3.57Å; T171-G175 VanDerWaalsContact O-CA 3.27Å; T171-G175 WeakPolarHBondContact O-CA 3.46Å; T171-G175 PolarHBondContact O-N 3.42Å; T171-S176 PolarHBondContact O-N 3.04Å; T171-T265 HydrophobicContact CG2-CG2 4.27Å
172G97.2Very high97.4Very high0 Ų049.1 Ų49.10%028%0.281CS..Iπ-helixtrans-67.8-30.4177.400000114.5D168 A169 V170 Y180 S261D168-G172 PolarHBondContact O-N 3.27Å; A169-G172 PolarHBondContact O-N 3.25Å; A169-G172 VanDerWaalsContact O-N 3.11Å; V170-G172 VanDerWaalsContact C-N 3.26Å; V170-G172 PolarHBondContact O-N 2.91Å; G172-Y180 WeakPolarHBondContact O-CE2 3.31Å; G172-Y180 PolarHBondContact O-OH 3Å; G172-S261 WeakPolarHBondContact CA-OG 3.38Å
173L98.4Very high97.5Very high113 Ų11352.3 Ų52.359%0.59230%0.3SS*.Iπ-helixtrans-90-68.4-179-177.563.2000112.6A169 V170 T171 G177 V258A169-L173 PolarHBondContact O-N 2.81Å; A169-L173 VanDerWaalsContact O-N 3.15Å; V170-L173 PolarHBondContact O-N 2.88Å; V170-L173 VanDerWaalsContact O-N 3.08Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 2.79Å; L173-G177 WeakPolarHBondContact O-CA 3.5Å; L173-G177 PolarHBondContact O-N 3.4Å; L173-V258 HydrophobicContact CB-CG1 4.47Å; L173-V258 HydrophobicContact CD1-CG2 4.17Å
174S97.2Very high97.5Very high18 Ų1847.2 Ų47.213%0.12628%0.283CS..Iπ-helixtrans-90.6-24.8-172.167.40000112.9N123 V170 P178N123-S174 WeakPolarHBondContact CB-O 3.31Å; N123-S174 PolarHBondContact ND2-O 2.75Å; V170-S174 WeakPolarHBondContact CG1-OG 3.29Å; V170-S174 PolarHBondContact O-N 2.92Å; V170-S174 PolarHBondContact O-OG 3.42Å; S174-P178 VanDerWaalsContact O-CD 3.23Å; S174-P178 WeakPolarHBondContact O-CD 3.25Å
175G94.9Very high97.5Very high19 Ų1946.5 Ų46.520%0.19628%0.28CS..Iπ-helixtrans-69.4-57.6176.200000113V170 T171 P178V170-G175 PolarHBondContact O-N 2.99Å; T171-G175 CarbonylContact O-C 3.57Å; T171-G175 VanDerWaalsContact O-CA 3.27Å; T171-G175 WeakPolarHBondContact O-CA 3.46Å; T171-G175 PolarHBondContact O-N 3.42Å; G175-P178 WeakPolarHBondContact O-CD 3.36Å
176S96.8Very high97.6Very high35 Ų3545 Ų4525%0.24527%0.272CS..THydrogen-bonded Turntrans-80.7-18176.2-65.70000113.1T171 A179 Y180 S261T171-S176 PolarHBondContact O-N 3.04Å; S176-A179 WeakPolarHBondContact O-CB 3.46Å; S176-A179 PolarHBondContact O-N 3.25Å; S176-Y180 VanDerWaalsContact CB-CZ 3.43Å; S176-Y180 WeakPolarHBondContact CB-OH 3.31Å; S176-Y180 PolarHBondContact O-N 2.9Å; S176-S261 PolarHBondContact OG-OG 3.21Å
177G97.9Very high97.7Very high18 Ų1843.6 Ų43.619%0.18627%0.274CS..Hα-helixtrans-45-47.2-179.500000116.2L173 A179 Y180 A181L173-G177 WeakPolarHBondContact O-CA 3.5Å; L173-G177 PolarHBondContact O-N 3.4Å; G177-A179 VanDerWaalsContact C-N 3.25Å; G177-A179 PolarHBondContact O-N 2.88Å; G177-Y180 WeakPolarHBondContact O-CB 3.41Å; G177-Y180 PolarHBondContact O-N 3.28Å; G177-A181 PolarHBondContact O-N 2.9Å
178P97.9Very high97.7Very high18 Ų1848 Ų4812%0.11730%0.297CS..Hα-helixtrans-56.7-36.5176.8-28.235.9000113.5N123 P125 S174 G175 Y180 A181 F182N123-P178 HydrophobicContact CB-CG 4.11Å; P125-P178 HydrophobicContact CG-CB 4.19Å; P125-P178 HydrophobicContact CG-CG 3.74Å; S174-P178 VanDerWaalsContact O-CD 3.23Å; S174-P178 WeakPolarHBondContact O-CD 3.25Å; G175-P178 WeakPolarHBondContact O-CD 3.36Å; P178-Y180 VanDerWaalsContact C-N 3.35Å; P178-A181 PolarHBondContact O-N 3.18Å; P178-F182 HydrophobicContact CB-CE2 4.1Å; P178-F182 WeakPolarHBondContact O-CD2 3.46Å; P178-F182 VanDerWaalsContact O-CG 3.27Å; P178-F182 WeakPolarHBondContact O-CG 3.4Å; P178-F182 PolarHBondContact O-N 2.82Å
179A98.1Very high97.9Very high54 Ų5447.6 Ų47.645%0.44630%0.295SS..Hα-helixtrans-67.9-36.317700000111.8S176 G177 F182 T183S176-A179 WeakPolarHBondContact O-CB 3.46Å; S176-A179 PolarHBondContact O-N 3.25Å; G177-A179 VanDerWaalsContact C-N 3.25Å; G177-A179 PolarHBondContact O-N 2.88Å; A179-F182 PolarHBondContact O-N 3.16Å; A179-T183 WeakPolarHBondContact O-CB 3.34Å; A179-T183 PolarHBondContact O-N 3.43Å; A179-T183 PolarHBondContact O-OG1 3.02Å
180Y98.7Very high98Very high61 Ų6150 Ų5024%0.23930%0.302CS..Hα-helixtrans-63.4-44.4173.6-47.4-28.5000110.5G172 S176 G177 P178 T183 A184 A257 V258 S261G172-Y180 WeakPolarHBondContact O-CE2 3.31Å; G172-Y180 PolarHBondContact O-OH 3Å; S176-Y180 VanDerWaalsContact CB-CZ 3.43Å; S176-Y180 WeakPolarHBondContact CB-OH 3.31Å; S176-Y180 PolarHBondContact O-N 2.9Å; G177-Y180 WeakPolarHBondContact O-CB 3.41Å; G177-Y180 PolarHBondContact O-N 3.28Å; P178-Y180 VanDerWaalsContact C-N 3.35Å; Y180-T183 PolarHBondContact O-N 2.9Å; Y180-A184 PolarHBondContact O-N 3.37Å; Y180-A257 HydrophobicContact CE1-CB 4.09Å; Y180-A257 HydrophobicContact CE2-CB 4.46Å; Y180-A257 PolarHBondContact OH-O 2.79Å; Y180-V258 HydrophobicContact CE2-CG2 4.3Å; Y180-S261 WeakPolarHBondContact OH-CB 3.36Å
181A98.7Very high98Very high41 Ų4150.3 Ų50.334%0.33931%0.311SS..Hα-helixtrans-63.1-44.1177.100000112.4G177 P178 T183 A184 L185G177-A181 PolarHBondContact O-N 2.9Å; P178-A181 PolarHBondContact O-N 3.18Å; A181-T183 VanDerWaalsContact C-N 3.35Å; A181-T183 PolarHBondContact O-N 3.15Å; A181-A184 PolarHBondContact O-N 2.94Å; A181-L185 WeakPolarHBondContact O-CB 3.41Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.42Å; A181-L185 PolarHBondContact O-N 3.4Å
182F98.6Very high98.2Very high129 Ų12950.4 Ų50.457%0.56631%0.314SS*.Hα-helixtrans-63.6-40.3176.6-64.7-44.2000112.4P178 A179 A184 L185 D186P178-F182 HydrophobicContact CB-CE2 4.1Å; P178-F182 WeakPolarHBondContact O-CD2 3.46Å; P178-F182 VanDerWaalsContact O-CG 3.27Å; P178-F182 WeakPolarHBondContact O-CG 3.4Å; P178-F182 PolarHBondContact O-N 2.82Å; A179-F182 PolarHBondContact O-N 3.16Å; F182-A184 VanDerWaalsContact C-N 3.35Å; F182-L185 HydrophobicContact CD1-CD1 4.37Å; F182-L185 PolarHBondContact O-N 3.01Å; F182-D186 PolarHBondContact O-N 3.48Å
183T98.8Very high98.3Very high98 Ų9853.3 Ų53.360%0.60133%0.332SS*.Hα-helixtrans-61.9-43.9175.3-54.40000111A179 Y180 A181 D186 A187A179-T183 WeakPolarHBondContact O-CB 3.34Å; A179-T183 PolarHBondContact O-N 3.43Å; A179-T183 PolarHBondContact O-OG1 3.02Å; Y180-T183 PolarHBondContact O-N 2.9Å; A181-T183 VanDerWaalsContact C-N 3.35Å; A181-T183 PolarHBondContact O-N 3.15Å; T183-D186 PolarHBondContact O-N 3.36Å; T183-A187 PolarHBondContact O-N 3.03Å
184A98.8Very high98.3Very high37 Ų3756.7 Ų56.731%0.30634%0.342SS..Hα-helixtrans-65.1-40.4176.500000112.4Y180 A181 F182 D186 A187 L188Y180-A184 PolarHBondContact O-N 3.37Å; A181-A184 PolarHBondContact O-N 2.94Å; F182-A184 VanDerWaalsContact C-N 3.35Å; A184-D186 VanDerWaalsContact C-N 3.34Å; A184-D186 PolarHBondContact O-N 3.48Å; A184-A187 PolarHBondContact O-N 3.5Å; A184-L188 WeakPolarHBondContact O-CB 3.46Å; A184-L188 VanDerWaalsContact O-CG 3.25Å; A184-L188 WeakPolarHBondContact O-CG 3.23Å; A184-L188 PolarHBondContact O-N 2.98Å
185L98.8Very high98.4Very high34 Ų3463.3 Ų63.318%0.17837%0.373CS..Hα-helixtrans-62.9-40.7177.8-77.9170.8000112.6A181 F182 A189 G206 A207 L210A181-L185 WeakPolarHBondContact O-CB 3.41Å; A181-L185 VanDerWaalsContact O-CG 3.3Å; A181-L185 WeakPolarHBondContact O-CG 3.42Å; A181-L185 PolarHBondContact O-N 3.4Å; F182-L185 HydrophobicContact CD1-CD1 4.37Å; F182-L185 PolarHBondContact O-N 3.01Å; L185-A189 VanDerWaalsContact O-CB 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.2Å; L185-A189 PolarHBondContact O-N 3.43Å; L185-G206 WeakPolarHBondContact CD2-O 3.3Å; L185-A207 VanDerWaalsContact CD2-CA 3.46Å; L185-A207 HydrophobicContact CD2-CB 4.17Å; L185-A207 VanDerWaalsContact CD2-N 3.26Å; L185-L210 HydrophobicContact CD1-CD1 4.24Å; L185-L210 HydrophobicContact CD2-CD1 3.51Å; L185-L210 HydrophobicContact CD2-CG 4.18Å; L185-L210 HydrophobicContact CG-CD1 3.58Å
186D98.8Very high98.6Very high86 Ų8665.5 Ų65.546%0.4640%0.395SS..Hα-helixtrans-62.7-47.2176.9-160.927.6000110.8F182 T183 A184 A189 D190 R199F182-D186 PolarHBondContact O-N 3.48Å; T183-D186 PolarHBondContact O-N 3.36Å; A184-D186 VanDerWaalsContact C-N 3.34Å; A184-D186 PolarHBondContact O-N 3.48Å; D186-A189 PolarHBondContact O-N 3.49Å; D186-D190 PolarHBondContact O-N 3.14Å; D186-R199 IonicContact OD1-CZ 2.75Å; D186-R199 IonicContact OD1-NH2 2.84Å; D186-R199 PolarHBondContact OD1-NH2 3.32Å
187A98.8Very high98.6Very high60 Ų6067.1 Ų67.150%0.49640%0.401SS..Hα-helixtrans-65.3-40.8177.400000113.2T183 A184 A189 D190 G191T183-A187 PolarHBondContact O-N 3.03Å; A184-A187 PolarHBondContact O-N 3.5Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 2.95Å; A187-D190 PolarHBondContact O-N 3.49Å; A187-G191 PolarHBondContact O-N 2.97Å
188L98.8Very high98.7Very high95 Ų9570.4 Ų70.450%0.49742%0.419SS..Hα-helixtrans-63.2-40.1174.7-76170.1000111.2A184 G191 G192A184-L188 WeakPolarHBondContact O-CB 3.46Å; A184-L188 VanDerWaalsContact O-CG 3.25Å; A184-L188 WeakPolarHBondContact O-CG 3.23Å; A184-L188 PolarHBondContact O-N 2.98Å; L188-G191 PolarHBondContact O-N 3.29Å; L188-G192 PolarHBondContact O-N 3.05Å
189A98.8Very high98.7Very high1 Ų174.2 Ų74.21%0.00843%0.431CS..Hα-helixtrans-66.8-39.3176.400000111.7L185 D186 A187 G192 V193 R199 A202 V203L185-A189 VanDerWaalsContact O-CB 3.3Å; L185-A189 WeakPolarHBondContact O-CB 3.2Å; L185-A189 PolarHBondContact O-N 3.43Å; D186-A189 PolarHBondContact O-N 3.49Å; A187-A189 VanDerWaalsContact C-N 3.31Å; A187-A189 PolarHBondContact O-N 2.95Å; A189-G192 PolarHBondContact O-N 2.77Å; A189-V193 VanDerWaalsContact O-CG2 3.29Å; A189-V193 WeakPolarHBondContact O-CG2 3.46Å; A189-V193 PolarHBondContact O-N 3.3Å; A189-R199 VanDerWaalsContact C-NH1 3.35Å; A189-A202 HydrophobicContact CB-CB 4.2Å; A189-V203 HydrophobicContact CB-CB 4.41Å; A189-V203 HydrophobicContact CB-CG2 3.59Å
190D98.9Very high98.7Very high93 Ų9382.3 Ų82.350%0.49745%0.45SS..Hα-helixtrans-62.3-43.8172.7-77.2-9.9000111.8D186 A187 G192 V193 K194 R199D186-D190 PolarHBondContact O-N 3.14Å; A187-D190 PolarHBondContact O-N 3.49Å; D190-G192 PolarHBondContact O-N 2.83Å; D190-V193 PolarHBondContact O-N 3.23Å; D190-K194 WeakPolarHBondContact O-CB 3.38Å; D190-K194 PolarHBondContact O-N 2.64Å; D190-R199 IonicContact OD1-CZ 3.87Å; D190-R199 IonicContact OD1-NH1 3.94Å; D190-R199 PolarHBondContact OD1-NH1 3.49Å; D190-R199 IonicContact OD1-NH2 2.93Å
191G98.8Very high98.7Very high35 Ų3583.2 Ų83.236%0.36146%0.458SS..Hα-helixtrans-58.7-45.2173.300000112.3A187 L188 V193 K194 M195A187-G191 PolarHBondContact O-N 2.97Å; L188-G191 PolarHBondContact O-N 3.29Å; G191-V193 PolarHBondContact O-N 2.87Å; G191-K194 WeakPolarHBondContact O-CB 3.29Å; G191-K194 PolarHBondContact O-N 3.32Å; G191-M195 WeakPolarHBondContact O-CG 3.3Å; G191-M195 PolarHBondContact O-N 2.93Å; G191-M195 VanDerWaalsContact O-N 3.16Å
192G98.8Very high98.7Very high14 Ų1481.4 Ų81.414%0.14444%0.444CS..Hα-helixtrans-61.7-42.4175.600000113.1L188 A189 D190 M195 G196 L197L188-G192 PolarHBondContact O-N 3.05Å; A189-G192 PolarHBondContact O-N 2.77Å; D190-G192 PolarHBondContact O-N 2.83Å; G192-M195 CarbonylContact O-C 3.5Å; G192-M195 PolarHBondContact O-N 2.92Å; G192-G196 PolarHBondContact O-N 3.37Å; G192-L197 WeakPolarHBondContact O-CB 3.36Å; G192-L197 PolarHBondContact O-N 3.26Å
193V98.8Very high98.7Very high61 Ų6178.3 Ų78.337%0.3744%0.435SS..Hα-helixtrans-63.9-42.4175.8170.70000111.3A189 D190 G191 M195 G196 L197 R199 A202A189-V193 VanDerWaalsContact O-CG2 3.29Å; A189-V193 WeakPolarHBondContact O-CG2 3.46Å; A189-V193 PolarHBondContact O-N 3.3Å; D190-V193 PolarHBondContact O-N 3.23Å; G191-V193 PolarHBondContact O-N 2.87Å; V193-M195 PolarHBondContact O-N 3.33Å; V193-G196 PolarHBondContact O-N 3.18Å; V193-L197 WeakPolarHBondContact CA-O 3.04Å; V193-L197 WeakPolarHBondContact CG2-O 3.35Å; V193-R199 HydrophobicContact CG2-CB 4.04Å; V193-A202 HydrophobicContact CG2-CB 4.3Å
194K98.8Very high98.7Very high183 Ų18382.5 Ų82.580%0.79644%0.44SS*.Hα-helixtrans-57.8-30.5174.6-175.4179.6178.2-177.40112.4D190 G191 G196D190-K194 WeakPolarHBondContact O-CB 3.38Å; D190-K194 PolarHBondContact O-N 2.64Å; G191-K194 WeakPolarHBondContact O-CB 3.29Å; G191-K194 PolarHBondContact O-N 3.32Å; K194-G196 VanDerWaalsContact C-N 3.34Å
195M98.8Very high98.7Very high158 Ų15885.1 Ų85.178%0.77845%0.448SS*.THydrogen-bonded Turntrans-90.99.7175.9-57.9-50.4-62.600113.9G191 G192 V193G191-M195 WeakPolarHBondContact O-CG 3.3Å; G191-M195 PolarHBondContact O-N 2.93Å; G191-M195 VanDerWaalsContact O-N 3.16Å; G192-M195 CarbonylContact O-C 3.5Å; G192-M195 PolarHBondContact O-N 2.92Å; V193-M195 PolarHBondContact O-N 3.33Å
196G98.5Very high98.7Very high65 Ų6584 Ų8467%0.6745%0.445SS*.THydrogen-bonded Turntrans99.45.3171.600000116G192 V193 K194G192-G196 PolarHBondContact O-N 3.37Å; V193-G196 PolarHBondContact O-N 3.18Å; K194-G196 VanDerWaalsContact C-N 3.34Å
197L98.6Very high98.7Very high68 Ų6881.9 Ų81.936%0.35644%0.44SS..  trans-77.2142.8176.7-62179.6000112G192 V193 R199 A202 L205G192-L197 WeakPolarHBondContact O-CB 3.36Å; G192-L197 PolarHBondContact O-N 3.26Å; V193-L197 WeakPolarHBondContact CA-O 3.04Å; V193-L197 WeakPolarHBondContact CG2-O 3.35Å; L197-R199 PolarHBondContact O-N 3.46Å; L197-A202 HydrophobicContact CB-CB 4.16Å; L197-A202 HydrophobicContact CD1-CB 4.43Å; L197-L205 HydrophobicContact CD1-CD1 4.28Å
198P98.7Very high98.7Very high88 Ų8884.6 Ų84.657%0.57144%0.442SS*.  trans-61.9137.1167.2-22.933.8000111.4R200 L201 A202P198-R200 VanDerWaalsContact C-N 3.32Å; P198-R200 PolarHBondContact O-N 2.88Å; P198-R200 VanDerWaalsContact O-N 3.17Å; P198-L201 HydrophobicContact CB-CB 4.46Å; P198-L201 WeakPolarHBondContact O-CA 3.34Å; P198-L201 WeakPolarHBondContact O-CB 3.49Å; P198-L201 PolarHBondContact O-N 2.97Å; P198-A202 PolarHBondContact O-N 2.95Å
199R98.6Very high98.7Very high98 Ų9883.1 Ų83.137%0.3744%0.444SS..Hα-helixtrans-49.8-47.3-175.2179.859.6179.8-169.4-3113.9D186 A189 D190 V193 L197 L201 A202 V203D186-R199 IonicContact OD1-CZ 2.75Å; D186-R199 IonicContact OD1-NH2 2.84Å; D186-R199 PolarHBondContact OD1-NH2 3.32Å; A189-R199 VanDerWaalsContact C-NH1 3.35Å; D190-R199 IonicContact OD1-CZ 3.87Å; D190-R199 IonicContact OD1-NH1 3.94Å; D190-R199 PolarHBondContact OD1-NH1 3.49Å; D190-R199 IonicContact OD1-NH2 2.93Å; V193-R199 HydrophobicContact CG2-CB 4.04Å; L197-R199 PolarHBondContact O-N 3.46Å; R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 PolarHBondContact O-N 3.48Å; R199-A202 PolarHBondContact O-N 2.91Å; R199-V203 WeakPolarHBondContact O-CG2 3.27Å; R199-V203 PolarHBondContact O-N 3.03Å
200R98.6Very high98.7Very high223 Ų22386.4 Ų86.484%0.84246%0.46SS*.Hα-helixtrans-60.6-38.8179.7-176.1179.8178.3-172.70.3112.4P198 R204P198-R200 VanDerWaalsContact C-N 3.32Å; P198-R200 PolarHBondContact O-N 2.88Å; P198-R200 VanDerWaalsContact O-N 3.17Å; R200-R204 PolarHBondContact O-N 3.29Å
201L98.6Very high98.7Very high80 Ų8086.9 Ų86.942%0.41946%0.462SS..Hα-helixtrans-71.6-45178-179.960.4000110.6P198 R199 V203 R204 L205P198-L201 HydrophobicContact CB-CB 4.46Å; P198-L201 WeakPolarHBondContact O-CA 3.34Å; P198-L201 WeakPolarHBondContact O-CB 3.49Å; P198-L201 PolarHBondContact O-N 2.97Å; R199-L201 VanDerWaalsContact C-N 3.3Å; R199-L201 PolarHBondContact O-N 3.48Å; L201-V203 PolarHBondContact O-N 3.36Å; L201-R204 PolarHBondContact O-N 3.01Å; L201-R204 VanDerWaalsContact O-N 3.15Å; L201-L205 HydrophobicContact CD1-CD1 4.01Å; L201-L205 HydrophobicContact CD1-CD2 4.38Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.45Å; L201-L205 HydrophobicContact CG-CD1 3.83Å; L201-L205 HydrophobicContact CG-CG 4.2Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 3.46Å
202A98.8Very high98.7Very high4 Ų486.4 Ų86.43%0.03346%0.457CS..Hα-helixtrans-58-46.7179.600000112.3A189 V193 L197 P198 R199 R204 L205 G206A189-A202 HydrophobicContact CB-CB 4.2Å; V193-A202 HydrophobicContact CG2-CB 4.3Å; L197-A202 HydrophobicContact CB-CB 4.16Å; L197-A202 HydrophobicContact CD1-CB 4.43Å; P198-A202 PolarHBondContact O-N 2.95Å; R199-A202 PolarHBondContact O-N 2.91Å; A202-R204 VanDerWaalsContact C-N 3.35Å; A202-R204 PolarHBondContact O-N 3.32Å; A202-L205 PolarHBondContact O-N 3.05Å; A202-G206 PolarHBondContact O-N 2.79Å
203V98.8Very high98.7Very high63 Ų6388.4 Ų88.438%0.38247%0.473SS..Hα-helixtrans-58.5-46.2175.1172.40000111.2A189 R199 L201 G206 A207A189-V203 HydrophobicContact CB-CB 4.41Å; A189-V203 HydrophobicContact CB-CG2 3.59Å; R199-V203 WeakPolarHBondContact O-CG2 3.27Å; R199-V203 PolarHBondContact O-N 3.03Å; L201-V203 PolarHBondContact O-N 3.36Å; V203-G206 PolarHBondContact O-N 3.25Å; V203-A207 WeakPolarHBondContact O-CB 3.5Å; V203-A207 PolarHBondContact O-N 2.94Å
204R98.6Very high98.7Very high186 Ų18688 Ų8870%0.70248%0.476SS*.Hα-helixtrans-66.2-41.6-178-171.2172.1-174.4172.91.8112.3R200 L201 A202 Q208R200-R204 PolarHBondContact O-N 3.29Å; L201-R204 PolarHBondContact O-N 3.01Å; L201-R204 VanDerWaalsContact O-N 3.15Å; A202-R204 VanDerWaalsContact C-N 3.35Å; A202-R204 PolarHBondContact O-N 3.32Å; R204-Q208 WeakPolarHBondContact O-CB 3.4Å; R204-Q208 PolarHBondContact O-N 3Å
205L98.8Very high98.6Very high92 Ų9285.2 Ų85.248%0.48246%0.464SS..Hα-helixtrans-65.7-45.4177.7-69.7176.2000111.3L197 L201 A202 A207 Q208 A209L197-L205 HydrophobicContact CD1-CD1 4.28Å; L201-L205 HydrophobicContact CD1-CD1 4.01Å; L201-L205 HydrophobicContact CD1-CD2 4.38Å; L201-L205 HydrophobicContact CD1-CG 3.94Å; L201-L205 HydrophobicContact CD2-CD1 4.45Å; L201-L205 HydrophobicContact CG-CD1 3.83Å; L201-L205 HydrophobicContact CG-CG 4.2Å; L201-L205 WeakPolarHBondContact O-CG 3.48Å; L201-L205 PolarHBondContact O-N 3.46Å; A202-L205 PolarHBondContact O-N 3.05Å; L205-A207 PolarHBondContact O-N 3.03Å; L205-Q208 PolarHBondContact O-N 2.85Å; L205-A209 WeakPolarHBondContact O-CB 3.16Å; L205-A209 PolarHBondContact O-N 3.43Å
206G98.6Very high98.6Very high10 Ų1083.1 Ų83.110%0.10345%0.454CS..Hα-helixtrans-60.3-45.8176.200000112.4L185 A202 V203 Q208 A209 L210L185-G206 WeakPolarHBondContact CD2-O 3.3Å; A202-G206 PolarHBondContact O-N 2.79Å; V203-G206 PolarHBondContact O-N 3.25Å; G206-Q208 PolarHBondContact O-N 3.49Å; G206-A209 PolarHBondContact O-N 2.81Å; G206-L210 PolarHBondContact O-N 3.4Å; G206-L210 VanDerWaalsContact O-N 3.08Å
207A98.8Very high98.6Very high43 Ų4383.4 Ų83.436%0.35544%0.439SS..Hα-helixtrans-61-45.1177.400000112L185 V203 L205 A209 L210 L211L185-A207 VanDerWaalsContact CD2-CA 3.46Å; L185-A207 HydrophobicContact CD2-CB 4.17Å; L185-A207 VanDerWaalsContact CD2-N 3.26Å; V203-A207 WeakPolarHBondContact O-CB 3.5Å; V203-A207 PolarHBondContact O-N 2.94Å; L205-A207 PolarHBondContact O-N 3.03Å; A207-A209 VanDerWaalsContact C-N 3.34Å; A207-A209 PolarHBondContact O-N 2.96Å; A207-L210 PolarHBondContact O-N 3.29Å; A207-L211 WeakPolarHBondContact O-CB 3.39Å; A207-L211 PolarHBondContact O-N 3.34Å
208Q98.8Very high98.6Very high117 Ų11786.9 Ų86.955%0.54746%0.458SS..Hα-helixtrans-66-37.1178.5-170.76348.600112.3R204 L205 G206 G212R204-Q208 WeakPolarHBondContact O-CB 3.4Å; R204-Q208 PolarHBondContact O-N 3Å; L205-Q208 PolarHBondContact O-N 2.85Å; G206-Q208 PolarHBondContact O-N 3.49Å; Q208-G212 PolarHBondContact O-N 3.1Å
209A98.8Very high98.5Very high64 Ų6488.6 Ų88.653%0.52946%0.462SS..Hα-helixtrans-64.6-46.2177.600000111.8L205 G206 A207 G212 A213L205-A209 WeakPolarHBondContact O-CB 3.16Å; L205-A209 PolarHBondContact O-N 3.43Å; G206-A209 PolarHBondContact O-N 2.81Å; A207-A209 VanDerWaalsContact C-N 3.34Å; A207-A209 PolarHBondContact O-N 2.96Å; A209-G212 PolarHBondContact O-N 3.2Å; A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.39Å
210L98.7Very high98.4Very high69 Ų6985.8 Ų85.836%0.36146%0.458SS..Hα-helixtrans-65.2-43.7176.6-73.2-176.9000112.2L185 G206 A207 G212 A213 A214L185-L210 HydrophobicContact CD1-CD1 4.24Å; L185-L210 HydrophobicContact CD2-CD1 3.51Å; L185-L210 HydrophobicContact CD2-CG 4.18Å; L185-L210 HydrophobicContact CG-CD1 3.58Å; G206-L210 PolarHBondContact O-N 3.4Å; G206-L210 VanDerWaalsContact O-N 3.08Å; A207-L210 PolarHBondContact O-N 3.29Å; L210-G212 PolarHBondContact O-N 3.25Å; L210-A213 PolarHBondContact O-N 2.88Å; L210-A214 WeakPolarHBondContact O-CB 3.33Å; L210-A214 PolarHBondContact O-N 3.32Å
211L98.7Very high98.3Very high103 Ų10385 Ų8554%0.53946%0.463SS..Hα-helixtrans-59.5-48.2177.2-177.5156000111.2A207 A214 K215A207-L211 WeakPolarHBondContact O-CB 3.39Å; A207-L211 PolarHBondContact O-N 3.34Å; L211-A214 PolarHBondContact O-N 3.08Å; L211-K215 WeakPolarHBondContact O-CB 3.29Å; L211-K215 PolarHBondContact O-N 3.35Å
212G98.6Very high98.2Very high25 Ų2585.6 Ų85.626%0.25846%0.464SS..Hα-helixtrans-62.5-45.3179.300000112.5Q208 A209 L210 K215 M216Q208-G212 PolarHBondContact O-N 3.1Å; A209-G212 PolarHBondContact O-N 3.2Å; L210-G212 PolarHBondContact O-N 3.25Å; G212-K215 PolarHBondContact O-N 3.12Å; G212-M216 VanDerWaalsContact O-CG 3.3Å; G212-M216 WeakPolarHBondContact O-CG 3.31Å; G212-M216 PolarHBondContact O-N 3.15Å
213A98.6Very high98.2Very high57 Ų5792 Ų9247%0.47149%0.493SS..Hα-helixtrans-63.8-43.2178.900000112.5A209 L210 M216 L217A209-A213 WeakPolarHBondContact O-CB 3.36Å; A209-A213 PolarHBondContact O-N 3.39Å; L210-A213 PolarHBondContact O-N 2.88Å; A213-M216 PolarHBondContact O-N 3.19Å; A213-L217 PolarHBondContact O-N 2.79Å; A213-L217 VanDerWaalsContact O-N 3.17Å
214A98.4Very high98.2Very high53 Ų5392.3 Ų92.344%0.43850%0.496SS..Hα-helixtrans-62.6-45.917600000111.2L210 L211 M216 L217 L218L210-A214 WeakPolarHBondContact O-CB 3.33Å; L210-A214 PolarHBondContact O-N 3.32Å; L211-A214 PolarHBondContact O-N 3.08Å; A214-M216 PolarHBondContact O-N 2.83Å; A214-L217 PolarHBondContact O-N 3.29Å; A214-L217 VanDerWaalsContact O-N 3.15Å; A214-L218 WeakPolarHBondContact O-CG 3.36Å; A214-L218 PolarHBondContact O-N 2.95Å
215K98.5Very high98.2Very high123 Ų12384.5 Ų84.554%0.53547%0.473SS..Hα-helixtrans-61.2-43.4177.4-175.3170.4-177.5173.40112.5L211 G212 L217 L218 D219L211-K215 WeakPolarHBondContact O-CB 3.29Å; L211-K215 PolarHBondContact O-N 3.35Å; G212-K215 PolarHBondContact O-N 3.12Å; K215-L217 PolarHBondContact O-N 3.32Å; K215-L218 PolarHBondContact O-N 3.28Å; K215-D219 VanDerWaalsContact CE-OD2 3.31Å; K215-D219 WeakPolarHBondContact CE-OD2 3.45Å; K215-D219 WeakPolarHBondContact CG-OD2 3.39Å; K215-D219 WeakPolarHBondContact O-CB 3.38Å; K215-D219 PolarHBondContact O-N 3.05Å
216M98.4Very high98.2Very high114 Ų11484.2 Ų84.256%0.56247%0.469SS*.Hα-helixtrans-58.1-36.4175.3-7617867.600112.7G212 A213 A214 S220G212-M216 VanDerWaalsContact O-CG 3.3Å; G212-M216 WeakPolarHBondContact O-CG 3.31Å; G212-M216 PolarHBondContact O-N 3.15Å; A213-M216 PolarHBondContact O-N 3.19Å; A214-M216 PolarHBondContact O-N 2.83Å; M216-S220 WeakPolarHBondContact O-CB 3.49Å; M216-S220 PolarHBondContact O-N 3.13Å
217L98.5Very high98.1Very high71 Ų7184.9 Ų84.937%0.37247%0.47SS..Hα-helixtrans-73.6-39.7177.1-179.263.4000112A213 A214 K215 D219 S220 P224 L227A213-L217 PolarHBondContact O-N 2.79Å; A213-L217 VanDerWaalsContact O-N 3.17Å; A214-L217 PolarHBondContact O-N 3.29Å; A214-L217 VanDerWaalsContact O-N 3.15Å; K215-L217 PolarHBondContact O-N 3.32Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-S220 PolarHBondContact O-N 3.36Å; L217-S220 VanDerWaalsContact O-O 3.06Å; L217-P224 HydrophobicContact CD1-CB 4.13Å; L217-P224 HydrophobicContact CD2-CB 4.31Å; L217-L227 HydrophobicContact CB-CD1 4.05Å; L217-L227 HydrophobicContact CD1-CD1 3.84Å
218L97.8Very high98.1Very high142 Ų14286 Ų8674%0.74347%0.467SS*.Hα-helixtrans-67.1-35.2179-69.1171.3000112.7A214 K215 S220A214-L218 WeakPolarHBondContact O-CG 3.36Å; A214-L218 PolarHBondContact O-N 2.95Å; K215-L218 PolarHBondContact O-N 3.28Å; L218-S220 VanDerWaalsContact C-N 3.29Å
219D97.4Very high98.1Very high124 Ų12484.2 Ų84.266%0.66346%0.462SS*.THydrogen-bonded Turntrans-86.62.2-179.4-64.3-18.8000112.7K215 L217K215-D219 VanDerWaalsContact CE-OD2 3.31Å; K215-D219 WeakPolarHBondContact CE-OD2 3.45Å; K215-D219 WeakPolarHBondContact CG-OD2 3.39Å; K215-D219 WeakPolarHBondContact O-CB 3.38Å; K215-D219 PolarHBondContact O-N 3.05Å; L217-D219 VanDerWaalsContact C-N 3.34Å
220S96.3Very high98Very high39 Ų3985.8 Ų85.827%0.27346%0.461SS..  trans-125.5145.6-172.9-175.20000112.1M216 L217 L218 Q222M216-S220 WeakPolarHBondContact O-CB 3.49Å; M216-S220 PolarHBondContact O-N 3.13Å; L217-S220 PolarHBondContact O-N 3.36Å; L217-S220 VanDerWaalsContact O-O 3.06Å; L218-S220 VanDerWaalsContact C-N 3.29Å; S220-Q222 VanDerWaalsContact C-N 3.29Å; S220-Q222 WeakPolarHBondContact OG-CB 3.38Å; S220-Q222 WeakPolarHBondContact OG-CG 3.34Å; S220-Q222 PolarHBondContact OG-N 2.93Å; S220-Q222 VanDerWaalsContact OG-N 3.1Å
221E95.9Very high98Very high207 Ų20786.8 Ų86.897%0.96747%0.47SS*.  trans-86.9-0.7169.8-62.4-176.3173.300112.5
222Q97.6Very high97.8Very high91 Ų9183 Ų8343%0.42545%0.452SS..SBendtrans-75.7141.9-178.1-63.3-176.2-47.100112S220 L227S220-Q222 VanDerWaalsContact C-N 3.29Å; S220-Q222 WeakPolarHBondContact OG-CB 3.38Å; S220-Q222 WeakPolarHBondContact OG-CG 3.34Å; S220-Q222 PolarHBondContact OG-N 2.93Å; S220-Q222 VanDerWaalsContact OG-N 3.1Å; Q222-L227 HydrophobicContact CB-CD2 4.28Å; Q222-L227 HydrophobicContact CB-CG 4.32Å; Q222-L227 VanDerWaalsContact OE1-CD2 3.24Å
223H98.4Very high97.6Very high139 Ų13985.7 Ų85.764%0.64447%0.467SS*.  trans-59.1140.8172-175.5-99.9000111.1G225 Q226 L227H223-G225 WeakPolarHBondContact ND1-CA 3.33Å; H223-G225 PolarHBondContact ND1-N 2.86Å; H223-G225 PolarHBondContact O-N 3.16Å; H223-G225 VanDerWaalsContact O-N 3.08Å; H223-Q226 WeakPolarHBondContact O-CA 3.38Å; H223-Q226 WeakPolarHBondContact O-CB 3.45Å; H223-Q226 PolarHBondContact O-N 3.08Å; H223-L227 PolarHBondContact O-N 3.14Å
224P98.1Very high97.5Very high70 Ų7089.6 Ų89.646%0.45549%0.487SS..Hα-helixtrans-57.9-27.7179.821.1-34.4000113.6L217 Q226 L227 K228L217-P224 HydrophobicContact CD1-CB 4.13Å; L217-P224 HydrophobicContact CD2-CB 4.31Å; P224-Q226 VanDerWaalsContact C-N 3.34Å; P224-L227 PolarHBondContact O-N 3.49Å; P224-K228 WeakPolarHBondContact O-CB 3.37Å; P224-K228 PolarHBondContact O-N 3.5Å
225G98.3Very high97.4Very high21 Ų2190.2 Ų90.222%0.21650%0.499CS..Hα-helixtrans-62.3-38171.500000113.3H223 K228 D229H223-G225 WeakPolarHBondContact ND1-CA 3.33Å; H223-G225 PolarHBondContact ND1-N 2.86Å; H223-G225 PolarHBondContact O-N 3.16Å; H223-G225 VanDerWaalsContact O-N 3.08Å; G225-K228 WeakPolarHBondContact O-CB 3.42Å; G225-K228 PolarHBondContact O-N 2.95Å; G225-D229 VanDerWaalsContact O-CG 3.27Å; G225-D229 PolarHBondContact O-N 3.49Å
226Q98.3Very high97.4Very high86 Ų8685.4 Ų85.440%0.40249%0.485SS..Hα-helixtrans-71.3-42.6176.9-175.361.660.200111.3H223 P224 K228 D229 N230H223-Q226 WeakPolarHBondContact O-CA 3.38Å; H223-Q226 WeakPolarHBondContact O-CB 3.45Å; H223-Q226 PolarHBondContact O-N 3.08Å; P224-Q226 VanDerWaalsContact C-N 3.34Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.48Å; Q226-D229 PolarHBondContact O-N 2.97Å; Q226-D229 VanDerWaalsContact O-N 3.11Å; Q226-N230 PolarHBondContact NE2-OD1 2.96Å; Q226-N230 PolarHBondContact O-N 2.92Å; Q226-N230 PolarHBondContact O-ND2 2.99Å; Q226-N230 PolarHBondContact O-OD1 3.3Å
227L98.1Very high97.3Very high24 Ų2484.1 Ų84.113%0.12649%0.492CS..Hα-helixtrans-60-39.8174.7-67.3179.6000111.5L217 Q222 H223 P224 N230 V231L217-L227 HydrophobicContact CB-CD1 4.05Å; L217-L227 HydrophobicContact CD1-CD1 3.84Å; Q222-L227 HydrophobicContact CB-CD2 4.28Å; Q222-L227 HydrophobicContact CB-CG 4.32Å; Q222-L227 VanDerWaalsContact OE1-CD2 3.24Å; H223-L227 PolarHBondContact O-N 3.14Å; P224-L227 PolarHBondContact O-N 3.49Å; L227-N230 PolarHBondContact O-N 3.08Å; L227-V231 WeakPolarHBondContact O-CG2 3.25Å; L227-V231 PolarHBondContact O-N 3.42Å
228K98.1Very high97.3Very high66 Ų6683.4 Ų83.429%0.28749%0.491SS..Hα-helixtrans-58.8-46.4171.8175-164.167.6650111.6P224 G225 Q226 N230 V231 C232 L242P224-K228 WeakPolarHBondContact O-CB 3.37Å; P224-K228 PolarHBondContact O-N 3.5Å; G225-K228 WeakPolarHBondContact O-CB 3.42Å; G225-K228 PolarHBondContact O-N 2.95Å; Q226-K228 VanDerWaalsContact C-N 3.27Å; Q226-K228 PolarHBondContact O-N 3.48Å; K228-N230 VanDerWaalsContact C-N 3.33Å; K228-N230 PolarHBondContact O-N 2.98Å; K228-V231 PolarHBondContact O-N 2.98Å; K228-C232 PolarHBondContact O-N 3.2Å; K228-C232 PolarHBondContact O-SG 3.37Å; K228-L242 HydrophobicContact CD-CD1 3.92Å; K228-L242 HydrophobicContact CG-CD1 3.77Å
229D98Very high97.3Very high80 Ų8080 Ų8043%0.42847%0.472SS..Hα-helixtrans-64.1-38.5179.8-68.2-18.2000112G225 Q226 V231 C232G225-D229 VanDerWaalsContact O-CG 3.27Å; G225-D229 PolarHBondContact O-N 3.49Å; Q226-D229 PolarHBondContact O-N 2.97Å; Q226-D229 VanDerWaalsContact O-N 3.11Å; D229-V231 PolarHBondContact O-N 2.9Å; D229-C232 PolarHBondContact O-N 3.17Å
230N97.6Very high97.4Very high97 Ų9779.8 Ų79.852%0.51947%0.467SS..Hα-helixtrans-62.1-24.3177.2-63.4-12.1000113.1Q226 L227 K228Q226-N230 PolarHBondContact NE2-OD1 2.96Å; Q226-N230 PolarHBondContact O-N 2.92Å; Q226-N230 PolarHBondContact O-ND2 2.99Å; Q226-N230 PolarHBondContact O-OD1 3.3Å; L227-N230 PolarHBondContact O-N 3.08Å; K228-N230 VanDerWaalsContact C-N 3.33Å; K228-N230 PolarHBondContact O-N 2.98Å
231V97.6Very high97.5Very high90 Ų9080.5 Ų80.555%0.54548%0.475SS..Hα-helixtrans-86.4-18.6174.8-178.60000112L227 K228 D229 S233 T238L227-V231 WeakPolarHBondContact O-CG2 3.25Å; L227-V231 PolarHBondContact O-N 3.42Å; K228-V231 PolarHBondContact O-N 2.98Å; D229-V231 PolarHBondContact O-N 2.9Å; V231-S233 PolarHBondContact O-N 3.29Å; V231-T238 HydrophobicContact CG1-CG2 4.14Å
232C95.8Very high97.6Very high24 Ų2472.3 Ų72.316%0.16244%0.438CS..  trans-94.2100.1-175.1-65.40000111.8K228 D229 L242K228-C232 PolarHBondContact O-N 3.2Å; K228-C232 PolarHBondContact O-SG 3.37Å; D229-C232 PolarHBondContact O-N 3.17Å; C232-L242 WeakPolarHBondContact SG-CD1 3.39Å
233S94.8Very high97.7Very high81 Ų8174 Ų7457%0.56645%0.445SS*.  trans-73.4142.8168-49.20000111.3V231 G235 G236V231-S233 PolarHBondContact O-N 3.29Å; S233-G235 PolarHBondContact O-N 3.16Å; S233-G236 PolarHBondContact O-N 3.31Å
234P95.4Very high97.7Very high139 Ų13972 Ų7290%0.90344%0.443SS*.THydrogen-bonded Turntrans-53.6127.1174.9-2735.2000112.4G236P234-G236 PolarHBondContact O-N 2.87Å
235G96.1Very high97.7Very high67 Ų6772.3 Ų72.369%0.69144%0.44SS*.THydrogen-bonded Turntrans69.43.9-176.300000115.3S233S233-G235 PolarHBondContact O-N 3.16Å
236G97.9Very high97.8Very high22 Ų2275.3 Ų75.323%0.22745%0.449CS..  trans-74.7173.6-17500000114.8S233 P234 T238 I239 H240S233-G236 PolarHBondContact O-N 3.31Å; P234-G236 PolarHBondContact O-N 2.87Å; G236-T238 PolarHBondContact O-N 2.9Å; G236-I239 VanDerWaalsContact O-CG2 3.32Å; G236-I239 WeakPolarHBondContact O-CG2 3.37Å; G236-H240 PolarHBondContact O-ND1 3.5Å
237A97.9Very high97.8Very high86 Ų8675.5 Ų75.571%0.71146%0.46SS*.Hα-helixtrans-63.2-39.7179.800000112.9I239 H240 A241A237-I239 PolarHBondContact O-N 2.84Å; A237-H240 PolarHBondContact O-N 3.28Å; A237-A241 PolarHBondContact O-N 3.48Å; A237-A241 VanDerWaalsContact O-N 3.13Å
238T98.3Very high97.8Very high57 Ų5777.1 Ų77.135%0.3548%0.482SS..Hα-helixtrans-60.8-43.9-176.3-49.10000112.6V231 G236 H240 A241 L242V231-T238 HydrophobicContact CG1-CG2 4.14Å; G236-T238 PolarHBondContact O-N 2.9Å; T238-H240 VanDerWaalsContact C-N 3.3Å; T238-H240 PolarHBondContact O-N 3.38Å; T238-A241 PolarHBondContact O-N 2.91Å; T238-L242 HydrophobicContact CG2-CD1 4.42Å; T238-L242 HydrophobicContact CG2-CG 4.48Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 3.49Å
239I98.4Very high97.8Very high70 Ų7075.1 Ų75.136%0.35948%0.48SS..Hα-helixtrans-68.3-31.3-177.2-167.761.5000112.1G236 A237 L242 H243G236-I239 VanDerWaalsContact O-CG2 3.32Å; G236-I239 WeakPolarHBondContact O-CG2 3.37Å; A237-I239 PolarHBondContact O-N 2.84Å; I239-L242 HydrophobicContact CD1-CD1 4.33Å; I239-L242 PolarHBondContact O-N 2.96Å; I239-H243 PolarHBondContact O-N 3.15Å
240H98.5Very high97.8Very high120 Ų12075.9 Ų75.956%0.55648%0.479SS*.Hα-helixtrans-68.3-39.2172.7-70.283.3000112G236 A237 T238 H243 V244G236-H240 PolarHBondContact O-ND1 3.5Å; A237-H240 PolarHBondContact O-N 3.28Å; T238-H240 VanDerWaalsContact C-N 3.3Å; T238-H240 PolarHBondContact O-N 3.38Å; H240-H243 PolarHBondContact O-N 2.99Å; H240-V244 PolarHBondContact O-N 3.11Å
241A98.7Very high97.9Very high53 Ų5377.4 Ų77.444%0.43848%0.478SS..Hα-helixtrans-66.4-40.3174.100000112A237 T238 H243 V244 L245A237-A241 PolarHBondContact O-N 3.48Å; A237-A241 VanDerWaalsContact O-N 3.13Å; T238-A241 PolarHBondContact O-N 2.91Å; A241-H243 VanDerWaalsContact C-N 3.33Å; A241-H243 PolarHBondContact O-N 3.05Å; A241-V244 WeakPolarHBondContact O-CG2 3.46Å; A241-V244 PolarHBondContact O-N 3.2Å; A241-L245 PolarHBondContact O-N 3.38Å
242L98.6Very high97.9Very high36 Ų3675.8 Ų75.819%0.18847%0.471CS..Hα-helixtrans-63.2-40.4174.7-71177.5000111.7K228 C232 T238 I239 V244 L245 E246K228-L242 HydrophobicContact CD-CD1 3.92Å; K228-L242 HydrophobicContact CG-CD1 3.77Å; C232-L242 WeakPolarHBondContact SG-CD1 3.39Å; T238-L242 HydrophobicContact CG2-CD1 4.42Å; T238-L242 HydrophobicContact CG2-CG 4.48Å; T238-L242 WeakPolarHBondContact O-CG 3.46Å; T238-L242 PolarHBondContact O-N 3.49Å; I239-L242 HydrophobicContact CD1-CD1 4.33Å; I239-L242 PolarHBondContact O-N 2.96Å; L242-V244 VanDerWaalsContact C-N 3.32Å; L242-V244 PolarHBondContact O-N 3.25Å; L242-L245 HydrophobicContact CD2-CD1 4.36Å; L242-L245 WeakPolarHBondContact O-CB 3.22Å; L242-L245 PolarHBondContact O-N 3.12Å; L242-L245 VanDerWaalsContact O-N 3.13Å; L242-E246 WeakPolarHBondContact O-CG 3.4Å; L242-E246 PolarHBondContact O-N 3.05Å
243H98.8Very high98.1Very high126 Ų12679.8 Ų79.858%0.58349%0.49SS*.Hα-helixtrans-55.2-46177.8179.6-150.2000112I239 H240 A241 L245 E246 S247I239-H243 PolarHBondContact O-N 3.15Å; H240-H243 PolarHBondContact O-N 2.99Å; A241-H243 VanDerWaalsContact C-N 3.33Å; A241-H243 PolarHBondContact O-N 3.05Å; H243-L245 VanDerWaalsContact C-N 3.35Å; H243-L245 PolarHBondContact O-N 2.91Å; H243-E246 PolarHBondContact O-N 3.48Å; H243-S247 PolarHBondContact O-N 2.98Å; H243-S247 PolarHBondContact O-OG 2.96Å
244V98.8Very high98.3Very high98 Ų9879.7 Ų79.759%0.59448%0.483SS*.Hα-helixtrans-68-32.1178.9-60.90000113.3H240 A241 L242 G248H240-V244 PolarHBondContact O-N 3.11Å; A241-V244 WeakPolarHBondContact O-CG2 3.46Å; A241-V244 PolarHBondContact O-N 3.2Å; L242-V244 VanDerWaalsContact C-N 3.32Å; L242-V244 PolarHBondContact O-N 3.25Å; V244-G248 PolarHBondContact O-N 2.88Å
245L98.6Very high98.4Very high76 Ų7678.4 Ų78.440%0.39847%0.467SS..Hα-helixtrans-66.2-43.5173.7-67.7177.1000111.2A241 L242 H243 G248 G249 F250A241-L245 PolarHBondContact O-N 3.38Å; L242-L245 HydrophobicContact CD2-CD1 4.36Å; L242-L245 WeakPolarHBondContact O-CB 3.22Å; L242-L245 PolarHBondContact O-N 3.12Å; L242-L245 VanDerWaalsContact O-N 3.13Å; H243-L245 VanDerWaalsContact C-N 3.35Å; H243-L245 PolarHBondContact O-N 2.91Å; L245-G248 PolarHBondContact O-N 3.43Å; L245-G249 PolarHBondContact O-N 3.46Å; L245-F250 HydrophobicContact CB-CB 4Å; L245-F250 HydrophobicContact CB-CG 4.38Å; L245-F250 HydrophobicContact CD2-CD2 4.28Å; L245-F250 HydrophobicContact CD2-CG 4.43Å; L245-F250 VanDerWaalsContact O-CB 3.23Å; L245-F250 WeakPolarHBondContact O-CB 3.45Å; L245-F250 PolarHBondContact O-N 3.38Å
246E98.7Very high98.6Very high84 Ų8479.2 Ų79.239%0.39346%0.455SS..Hα-helixtrans-67.3-39.8177.2-60.7-63.6179.300111.4L242 H243 G248 G249 R251L242-E246 WeakPolarHBondContact O-CG 3.4Å; L242-E246 PolarHBondContact O-N 3.05Å; H243-E246 PolarHBondContact O-N 3.48Å; E246-G248 PolarHBondContact O-N 3.19Å; E246-G249 PolarHBondContact O-N 2.99Å; E246-R251 IonicContact OE1-CZ 3.76Å; E246-R251 IonicContact OE1-NE 3.59Å; E246-R251 PolarHBondContact OE1-NE 3.11Å; E246-R251 IonicContact OE1-NH2 2.79Å; E246-R251 PolarHBondContact OE1-NH2 3.31Å; E246-R251 IonicContact OE2-NE 3.7Å; E246-R251 PolarHBondContact OE2-NE 3.3Å
247S98.6Very high98.6Very high90 Ų9079.7 Ų79.763%0.62946%0.457SS*.Hα-helixtrans-59.1-30174.8-58.20000113H243H243-S247 PolarHBondContact O-N 2.98Å; H243-S247 PolarHBondContact O-OG 2.96Å
248G98.3Very high98.6Very high57 Ų5777.5 Ų77.559%0.58844%0.435SS*.THydrogen-bonded Turntrans-87.50.3176.600000114.9V244 L245 E246V244-G248 PolarHBondContact O-N 2.88Å; L245-G248 PolarHBondContact O-N 3.43Å; E246-G248 PolarHBondContact O-N 3.19Å
249G98.6Very high98.7Very high24 Ų2480.2 Ų80.225%0.24744%0.444CS..THydrogen-bonded Turntrans68.934.3-176.800000113.6L245 E246 R251 S252 L253L245-G249 PolarHBondContact O-N 3.46Å; E246-G249 PolarHBondContact O-N 2.99Å; G249-R251 PolarHBondContact O-N 3.49Å; G249-R251 VanDerWaalsContact O-N 3.12Å; G249-S252 PolarHBondContact O-N 3.27Å; G249-S252 PolarHBondContact O-OG 3.29Å; G249-L253 PolarHBondContact O-N 3.44Å
250F98.7Very high98.7Very high96 Ų9679.7 Ų79.742%0.42145%0.45SS..Hα-helixtrans-50.8-41.5-176.5178.1-104.5000113.6L245 L253 L254L245-F250 HydrophobicContact CB-CB 4Å; L245-F250 HydrophobicContact CB-CG 4.38Å; L245-F250 HydrophobicContact CD2-CD2 4.28Å; L245-F250 HydrophobicContact CD2-CG 4.43Å; L245-F250 VanDerWaalsContact O-CB 3.23Å; L245-F250 WeakPolarHBondContact O-CB 3.45Å; L245-F250 PolarHBondContact O-N 3.38Å; F250-L253 PolarHBondContact O-N 3.15Å; F250-L254 HydrophobicContact CD1-CD1 4.29Å; F250-L254 HydrophobicContact CE1-CD1 3.67Å; F250-L254 HydrophobicContact CZ-CD1 3.85Å; F250-L254 PolarHBondContact O-N 3.17Å
251R98.7Very high98.7Very high129 Ų12975 Ų7549%0.48743%0.43SS..Hα-helixtrans-66.6-41.9179.5-61.4179.9-173.9-81.8-10.4112.8E246 G249 L253 L254 I255E246-R251 IonicContact OE1-CZ 3.76Å; E246-R251 IonicContact OE1-NE 3.59Å; E246-R251 PolarHBondContact OE1-NE 3.11Å; E246-R251 IonicContact OE1-NH2 2.79Å; E246-R251 PolarHBondContact OE1-NH2 3.31Å; E246-R251 IonicContact OE2-NE 3.7Å; E246-R251 PolarHBondContact OE2-NE 3.3Å; G249-R251 PolarHBondContact O-N 3.49Å; G249-R251 VanDerWaalsContact O-N 3.12Å; R251-L253 VanDerWaalsContact C-N 3.29Å; R251-L253 PolarHBondContact O-N 3.45Å; R251-L254 PolarHBondContact O-N 3.44Å; R251-I255 WeakPolarHBondContact O-CG1 3.4Å; R251-I255 PolarHBondContact O-N 3.19Å; R251-I255 VanDerWaalsContact O-N 3.11Å
252S98.8Very high98.6Very high56 Ų5673 Ų7339%0.39241%0.413SS..Hα-helixtrans-66.9-34.3-178.660.20000111.2G249 L254 I255 N256G249-S252 PolarHBondContact O-N 3.27Å; G249-S252 PolarHBondContact O-OG 3.29Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-L254 PolarHBondContact O-N 2.94Å; S252-I255 PolarHBondContact O-N 3.48Å; S252-N256 WeakPolarHBondContact O-CB 3.36Å; S252-N256 PolarHBondContact O-N 3.22Å; S252-N256 PolarHBondContact O-ND2 3.41Å; S252-N256 PolarHBondContact O-OD1 3.48Å
253L98.8Very high98.6Very high109 Ų10974.8 Ų74.857%0.57142%0.422SS*.Hα-helixtrans-61.8-40.6174.8-63.4179.1000112.7G249 F250 R251 N256 A257G249-L253 PolarHBondContact O-N 3.44Å; F250-L253 PolarHBondContact O-N 3.15Å; R251-L253 VanDerWaalsContact C-N 3.29Å; R251-L253 PolarHBondContact O-N 3.45Å; L253-N256 PolarHBondContact O-N 3.1Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.31Å
254L98.8Very high98.4Very high79 Ų7974.1 Ų74.141%0.41441%0.414SS..Hα-helixtrans-67.9-41176.5-67.5173.6000111.8F250 R251 S252 A257 V258F250-L254 HydrophobicContact CD1-CD1 4.29Å; F250-L254 HydrophobicContact CE1-CD1 3.67Å; F250-L254 HydrophobicContact CZ-CD1 3.85Å; F250-L254 PolarHBondContact O-N 3.17Å; R251-L254 PolarHBondContact O-N 3.44Å; S252-L254 VanDerWaalsContact C-N 3.35Å; S252-L254 PolarHBondContact O-N 2.94Å; L254-A257 PolarHBondContact O-N 3.33Å; L254-V258 WeakPolarHBondContact O-CG2 3.3Å; L254-V258 PolarHBondContact O-N 3.29Å; L254-V258 VanDerWaalsContact O-N 3.12Å
255I98.8Very high98.2Very high112 Ų11269.8 Ų69.857%0.57439%0.388SS*.Hα-helixtrans-59.9-49.4174.7-66.1164.9000110.1R251 S252 A257 V258 E259R251-I255 WeakPolarHBondContact O-CG1 3.4Å; R251-I255 PolarHBondContact O-N 3.19Å; R251-I255 VanDerWaalsContact O-N 3.11Å; S252-I255 PolarHBondContact O-N 3.48Å; I255-A257 VanDerWaalsContact C-N 3.28Å; I255-A257 PolarHBondContact O-N 3.5Å; I255-V258 PolarHBondContact O-N 3.38Å; I255-E259 WeakPolarHBondContact O-CB 3.24Å; I255-E259 PolarHBondContact O-N 2.87Å
256N98.8Very high98Very high83 Ų8372.1 Ų72.144%0.44439%0.392SS..Hα-helixtrans-61.3-36.3179.1-66.3-4.2000111.9S252 L253 A260S252-N256 WeakPolarHBondContact O-CB 3.36Å; S252-N256 PolarHBondContact O-N 3.22Å; S252-N256 PolarHBondContact O-ND2 3.41Å; S252-N256 PolarHBondContact O-OD1 3.48Å; L253-N256 PolarHBondContact O-N 3.1Å; N256-A260 VanDerWaalsContact O-CB 3.24Å; N256-A260 WeakPolarHBondContact O-CB 3.04Å; N256-A260 PolarHBondContact O-N 3.23Å
257A98.8Very high97.6Very high32 Ų3272.3 Ų72.326%0.26439%0.393SS..Hα-helixtrans-65.8-44.8177.800000112.1Y180 L253 L254 I255 S261Y180-A257 HydrophobicContact CE1-CB 4.09Å; Y180-A257 HydrophobicContact CE2-CB 4.46Å; Y180-A257 PolarHBondContact OH-O 2.79Å; L253-A257 WeakPolarHBondContact O-CB 3.43Å; L253-A257 PolarHBondContact O-N 3.31Å; L254-A257 PolarHBondContact O-N 3.33Å; I255-A257 VanDerWaalsContact C-N 3.28Å; I255-A257 PolarHBondContact O-N 3.5Å; A257-S261 WeakPolarHBondContact O-CB 3.46Å; A257-S261 PolarHBondContact O-N 3.29Å
258V98.8Very high97Very high41 Ų4170.7 Ų70.725%0.24838%0.376CS..Hα-helixtrans-63.5-46.1176.1173.70000110.4L173 Y180 L254 I255 S261 C262L173-V258 HydrophobicContact CB-CG1 4.47Å; L173-V258 HydrophobicContact CD1-CG2 4.17Å; Y180-V258 HydrophobicContact CE2-CG2 4.3Å; L254-V258 WeakPolarHBondContact O-CG2 3.3Å; L254-V258 PolarHBondContact O-N 3.29Å; L254-V258 VanDerWaalsContact O-N 3.12Å; I255-V258 PolarHBondContact O-N 3.38Å; V258-S261 PolarHBondContact O-N 3.04Å; V258-C262 WeakPolarHBondContact O-CB 3.49Å; V258-C262 PolarHBondContact O-N 3.44Å
259E98.8Very high96.4Very high114 Ų11470 Ų7053%0.53336%0.358SS..Hα-helixtrans-57.9-53.4177178.8179.4-126.800111.4I255 S261 C262 I263I255-E259 WeakPolarHBondContact O-CB 3.24Å; I255-E259 PolarHBondContact O-N 2.87Å; E259-S261 VanDerWaalsContact C-N 3.29Å; E259-S261 PolarHBondContact O-N 3.06Å; E259-C262 PolarHBondContact O-N 2.82Å; E259-C262 VanDerWaalsContact O-N 3.14Å; E259-I263 HydrophobicContact CG-CD1 3.64Å; E259-I263 HydrophobicContact CG-CG1 4.29Å; E259-I263 WeakPolarHBondContact O-CG1 3.47Å; E259-I263 PolarHBondContact O-N 2.93Å
260A98.7Very high95.8Very high58 Ų5872 Ų7248%0.47937%0.366SS..Hα-helixtrans-59.6-40-179.200000112.1N256 R264N256-A260 VanDerWaalsContact O-CB 3.24Å; N256-A260 WeakPolarHBondContact O-CB 3.04Å; N256-A260 PolarHBondContact O-N 3.23Å; A260-R264 VanDerWaalsContact O-CB 3.29Å; A260-R264 WeakPolarHBondContact O-CB 3.38Å; A260-R264 PolarHBondContact O-N 3.12Å
261S98.1Very high94.8Very high21 Ų2171 Ų7115%0.14736%0.363CS..Hα-helixtrans-67.3-39.2177.1-1730000112.3G172 S176 Y180 A257 V258 E259 T265G172-S261 WeakPolarHBondContact CA-OG 3.38Å; S176-S261 PolarHBondContact OG-OG 3.21Å; Y180-S261 WeakPolarHBondContact OH-CB 3.36Å; A257-S261 WeakPolarHBondContact O-CB 3.46Å; A257-S261 PolarHBondContact O-N 3.29Å; V258-S261 PolarHBondContact O-N 3.04Å; E259-S261 VanDerWaalsContact C-N 3.29Å; E259-S261 PolarHBondContact O-N 3.06Å; S261-T265 PolarHBondContact O-N 3.23Å; S261-T265 VanDerWaalsContact O-N 3.13Å; S261-T265 PolarHBondContact O-OG1 3.49Å
262C97.8Very high93.6Very high11 Ų1165.8 Ų65.87%0.07435%0.347CS..Hα-helixtrans-66.2-49.8175.5178.40000111.3V258 E259 R264 T265 R266V258-C262 WeakPolarHBondContact O-CB 3.49Å; V258-C262 PolarHBondContact O-N 3.44Å; E259-C262 PolarHBondContact O-N 2.82Å; E259-C262 VanDerWaalsContact O-N 3.14Å; C262-R264 VanDerWaalsContact C-N 3.31Å; C262-R264 PolarHBondContact O-N 2.94Å; C262-T265 WeakPolarHBondContact O-CB 3.04Å; C262-T265 PolarHBondContact O-N 3.41Å; C262-R266 PolarHBondContact O-N 3Å; C262-R266 VanDerWaalsContact O-N 3.08Å
263I97.9Very high92.3Very high74 Ų7467.3 Ų67.338%0.37935%0.351SS..Hα-helixtrans-56.3-47.6177.2-69172.9000110.2E259 T265 R266 E267E259-I263 HydrophobicContact CG-CD1 3.64Å; E259-I263 HydrophobicContact CG-CG1 4.29Å; E259-I263 WeakPolarHBondContact O-CG1 3.47Å; E259-I263 PolarHBondContact O-N 2.93Å; I263-T265 VanDerWaalsContact C-N 3.25Å; I263-T265 PolarHBondContact O-N 3.17Å; I263-R266 WeakPolarHBondContact O-CB 3.44Å; I263-R266 PolarHBondContact O-N 3.24Å; I263-R266 VanDerWaalsContact O-N 3.16Å; I263-E267 HydrophobicContact CG2-CG 4.46Å; I263-E267 WeakPolarHBondContact O-CG 3.38Å; I263-E267 PolarHBondContact O-N 3.49Å
264R95.8Very high91Very high113 Ų11368 Ų6843%0.42635%0.351SS..Hα-helixtrans-62-34.2178.9-177.356-175.1158.46.3112.7A260 C262 E267 L268A260-R264 VanDerWaalsContact O-CB 3.29Å; A260-R264 WeakPolarHBondContact O-CB 3.38Å; A260-R264 PolarHBondContact O-N 3.12Å; C262-R264 VanDerWaalsContact C-N 3.31Å; C262-R264 PolarHBondContact O-N 2.94Å; R264-E267 WeakPolarHBondContact CD-OE2 3.42Å; R264-E267 IonicContact CZ-OE2 2.92Å; R264-E267 IonicContact NE-OE2 3.91Å; R264-E267 IonicContact NH1-OE2 3.82Å; R264-E267 PolarHBondContact NH1-OE2 3.17Å; R264-E267 PolarHBondContact O-N 3.35Å; R264-L268 VanDerWaalsContact O-CG 3.29Å; R264-L268 WeakPolarHBondContact O-CG 3.35Å; R264-L268 PolarHBondContact O-N 3.5Å
265T93.3Very high89.4Confident7 Ų771.1 Ų71.14%0.04336%0.364CS..Hα-helixtrans-65.7-43.1176.7-58.20000111.1A97 D168 T171 S261 C262 I263 L268 Q269A97-T265 HydrophobicContact CB-CG2 4.41Å; D168-T265 HydrophobicContact CB-CG2 4.29Å; T171-T265 HydrophobicContact CG2-CG2 4.27Å; S261-T265 PolarHBondContact O-N 3.23Å; S261-T265 VanDerWaalsContact O-N 3.13Å; S261-T265 PolarHBondContact O-OG1 3.49Å; C262-T265 WeakPolarHBondContact O-CB 3.04Å; C262-T265 PolarHBondContact O-N 3.41Å; I263-T265 VanDerWaalsContact C-N 3.25Å; I263-T265 PolarHBondContact O-N 3.17Å; T265-L268 WeakPolarHBondContact O-CB 3.23Å; T265-L268 PolarHBondContact O-N 3.11Å; T265-Q269 PolarHBondContact O-N 3.39Å
266R93.8Very high87.2Confident125 Ų12569.5 Ų69.547%0.47236%0.36SS..Hα-helixtrans-64.9-37.2174.3-67.5172.1176.8169.3-1.1113D168 C262 I263 Q269 T270D168-R266 HydrophobicContact CB-CG 4.2Å; D168-R266 WeakPolarHBondContact OD2-CG 3.48Å; C262-R266 PolarHBondContact O-N 3Å; C262-R266 VanDerWaalsContact O-N 3.08Å; I263-R266 WeakPolarHBondContact O-CB 3.44Å; I263-R266 PolarHBondContact O-N 3.24Å; I263-R266 VanDerWaalsContact O-N 3.16Å; R266-Q269 WeakPolarHBondContact O-CB 3.48Å; R266-Q269 PolarHBondContact O-N 3.46Å; R266-T270 PolarHBondContact O-N 3.39Å; R266-T270 PolarHBondContact O-OG1 2.94Å
267E92.1Very high85.2Confident88 Ų8867.2 Ų67.241%0.41135%0.349SS..Hα-helixtrans-62.8-45.2172.5-70.9173.5-177.200111.3I263 R264 Q269 T270 M271I263-E267 HydrophobicContact CG2-CG 4.46Å; I263-E267 WeakPolarHBondContact O-CG 3.38Å; I263-E267 PolarHBondContact O-N 3.49Å; R264-E267 WeakPolarHBondContact CD-OE2 3.42Å; R264-E267 IonicContact CZ-OE2 2.92Å; R264-E267 IonicContact NE-OE2 3.91Å; R264-E267 IonicContact NH1-OE2 3.82Å; R264-E267 PolarHBondContact NH1-OE2 3.17Å; R264-E267 PolarHBondContact O-N 3.35Å; E267-Q269 VanDerWaalsContact C-N 3.28Å; E267-Q269 PolarHBondContact O-N 3Å; E267-T270 PolarHBondContact O-N 3.08Å; E267-M271 VanDerWaalsContact O-CG 3.25Å; E267-M271 WeakPolarHBondContact O-CG 3.42Å; E267-M271 PolarHBondContact O-N 3.41Å
268L85.4Confident82.6Confident55 Ų5568.9 Ų68.929%0.28836%0.358SS..Hα-helixtrans-60.8-38.6178-73.6172000112.1R264 T265 A272R264-L268 VanDerWaalsContact O-CG 3.29Å; R264-L268 WeakPolarHBondContact O-CG 3.35Å; R264-L268 PolarHBondContact O-N 3.5Å; T265-L268 WeakPolarHBondContact O-CB 3.23Å; T265-L268 PolarHBondContact O-N 3.11Å; L268-A272 WeakPolarHBondContact O-CB 3.41Å; L268-A272 PolarHBondContact O-N 3.05Å
269Q85.6Confident80.1Confident42 Ų4271.5 Ų71.520%0.19638%0.376CS..Hα-helixtrans-58.6-53.8171.3178.4177.5-1600111.3G98 T100 T265 R266 E267 M271 A272 D273G98-Q269 WeakPolarHBondContact O-CA 3.43Å; G98-Q269 WeakPolarHBondContact O-CB 3.34Å; G98-Q269 WeakPolarHBondContact O-CG 3.34Å; T100-Q269 VanDerWaalsContact CG2-CD 3.47Å; T100-Q269 HydrophobicContact CG2-CG 4.1Å; T265-Q269 PolarHBondContact O-N 3.39Å; R266-Q269 WeakPolarHBondContact O-CB 3.48Å; R266-Q269 PolarHBondContact O-N 3.46Å; E267-Q269 VanDerWaalsContact C-N 3.28Å; E267-Q269 PolarHBondContact O-N 3Å; Q269-M271 VanDerWaalsContact C-N 3.27Å; Q269-M271 PolarHBondContact O-N 3.47Å; Q269-A272 WeakPolarHBondContact O-CB 3.49Å; Q269-A272 PolarHBondContact O-N 3.24Å; Q269-D273 PolarHBondContact O-N 2.84Å
270T84.9Confident77.6Confident68 Ų6869.6 Ų69.642%0.41738%0.38SS..Hα-helixtrans-59.3-40.1-178.2-52.80000111.6R266 E267 D273 Q274R266-T270 PolarHBondContact O-N 3.39Å; R266-T270 PolarHBondContact O-OG1 2.94Å; E267-T270 PolarHBondContact O-N 3.08Å; T270-D273 PolarHBondContact O-N 3.45Å; T270-Q274 WeakPolarHBondContact O-CB 3.45Å; T270-Q274 VanDerWaalsContact O-CG 3.29Å; T270-Q274 WeakPolarHBondContact O-CG 3.32Å; T270-Q274 PolarHBondContact O-N 3.13Å; T270-Q274 VanDerWaalsContact O-N 3.15Å
271M78.9Confident75.2Confident74 Ų7468.4 Ų68.437%0.36537%0.37SS..Hα-helixtrans-66.6-35.4176-67.7176.781.300112.6E267 Q269 E275 T276E267-M271 VanDerWaalsContact O-CG 3.25Å; E267-M271 WeakPolarHBondContact O-CG 3.42Å; E267-M271 PolarHBondContact O-N 3.41Å; Q269-M271 VanDerWaalsContact C-N 3.27Å; Q269-M271 PolarHBondContact O-N 3.47Å; M271-E275 PolarHBondContact O-N 2.89Å; M271-T276 PolarHBondContact O-N 3.17Å; M271-T276 PolarHBondContact O-OG1 3.38Å
272A72.6Confident72.9Confident19 Ų1969.6 Ų69.616%0.15737%0.374CS..Hα-helixtrans-70.6-43.1176.600000111.3L268 Q269 Q274 E275L268-A272 WeakPolarHBondContact O-CB 3.41Å; L268-A272 PolarHBondContact O-N 3.05Å; Q269-A272 WeakPolarHBondContact O-CB 3.49Å; Q269-A272 PolarHBondContact O-N 3.24Å; A272-Q274 VanDerWaalsContact C-N 3.26Å; A272-Q274 PolarHBondContact O-N 3.29Å; A272-E275 PolarHBondContact O-N 2.86Å; A272-E275 VanDerWaalsContact O-N 3.14Å
273D73Confident70.2Confident88 Ų8876.7 Ų76.747%0.47140%0.404SS..Hα-helixtrans-63.7-32178.8-69.7-25.1000112.6Q269 T270 E275Q269-D273 PolarHBondContact O-N 2.84Å; T270-D273 PolarHBondContact O-N 3.45Å; D273-E275 VanDerWaalsContact C-N 3.34Å
274Q70.5Confident67.7Low123 Ų12382 Ų8258%0.57542%0.424SS*.THydrogen-bonded Turntrans-85.7-2.2178.5-69.5177.30.700113.7T270 A272 T276T270-Q274 WeakPolarHBondContact O-CB 3.45Å; T270-Q274 VanDerWaalsContact O-CG 3.29Å; T270-Q274 WeakPolarHBondContact O-CG 3.32Å; T270-Q274 PolarHBondContact O-N 3.13Å; T270-Q274 VanDerWaalsContact O-N 3.15Å; A272-Q274 VanDerWaalsContact C-N 3.26Å; A272-Q274 PolarHBondContact O-N 3.29Å; Q274-T276 HydrophobicContact CB-CG2 3.98Å; Q274-T276 WeakPolarHBondContact CB-OG1 3.5Å; Q274-T276 PolarHBondContact O-N 3.05Å
275E64.4Low65.3Low145 Ų14579 Ų7968%0.67842%0.419SS*.THydrogen-bonded Turntrans50.619.3-170.8-63-173.3169.200114M271 A272 D273 V277M271-E275 PolarHBondContact O-N 2.89Å; A272-E275 PolarHBondContact O-N 2.86Å; A272-E275 VanDerWaalsContact O-N 3.14Å; D273-E275 VanDerWaalsContact C-N 3.34Å; E275-V277 PolarHBondContact O-N 3.46Å
276T54.1Low62.9Low79 Ų7981.7 Ų81.749%0.48544%0.435SS..  trans-83.941.4-17745.40000111.7M271 Q274M271-T276 PolarHBondContact O-N 3.17Å; M271-T276 PolarHBondContact O-OG1 3.38Å; Q274-T276 HydrophobicContact CB-CG2 3.98Å; Q274-T276 WeakPolarHBondContact CB-OG1 3.5Å; Q274-T276 PolarHBondContact O-N 3.05Å
277V55.2Low60.4Low35 Ų3579.8 Ų79.821%0.21243%0.434CS..  trans-82128.8178.7-175.80000109.5H73 E275 A281 I282H73-V277 HydrophobicContact CB-CB 4.38Å; H73-V277 HydrophobicContact CB-CG1 3.74Å; H73-V277 HydrophobicContact CB-CG2 3.76Å; E275-V277 PolarHBondContact O-N 3.46Å; V277-A281 HydrophobicContact CG1-CB 4.02Å; V277-I282 HydrophobicContact CG1-CD1 4.45Å; V277-I282 HydrophobicContact CG1-CG1 4.17Å
278S45.1Very low57.8Low66 Ų6681.4 Ų81.446%0.46245%0.445SS..  trans-62.3139.6-179.590.40000111.7A280 A281S278-A280 PolarHBondContact O-N 3.41Å; S278-A281 PolarHBondContact O-N 3.41Å; S278-A281 PolarHBondContact OG-N 2.99Å
279P45.5Very low55.9Low97 Ų9786 Ų8663%0.6346%0.463SS*.Hα-helixtrans-56.3-24176.6-25.532.7000113.9I282 K283P279-I282 PolarHBondContact O-N 2.96Å; P279-K283 WeakPolarHBondContact O-CG 3.39Å; P279-K283 PolarHBondContact O-N 3.13Å
280A46.8Very low53.8Low73 Ų7389.1 Ų89.160%0.60348%0.484SS*.Hα-helixtrans-72.3-31.7178.400000113.1S278 I282S278-A280 PolarHBondContact O-N 3.41Å; A280-I282 VanDerWaalsContact C-N 3.34Å
281A49.3Very low51.4Low34 Ų3492.8 Ų92.828%0.28149%0.494SS..Hα-helixtrans-70-35.2173.500000111.3V277 S278 T285V277-A281 HydrophobicContact CG1-CB 4.02Å; S278-A281 PolarHBondContact O-N 3.41Å; S278-A281 PolarHBondContact OG-N 2.99Å; A281-T285 PolarHBondContact O-OG1 3.26Å
282I48.9Very low49.2Very low45 Ų4594.9 Ų94.923%0.23151%0.506CS..Hα-helixtrans-72.2-43.2179.1-58.6171.6000111F77 V277 P279 A280 K284 T285 L287F77-I282 HydrophobicContact CZ-CD1 4.24Å; V277-I282 HydrophobicContact CG1-CD1 4.45Å; V277-I282 HydrophobicContact CG1-CG1 4.17Å; P279-I282 PolarHBondContact O-N 2.96Å; A280-I282 VanDerWaalsContact C-N 3.34Å; I282-K284 VanDerWaalsContact C-N 3.26Å; I282-K284 PolarHBondContact O-N 3.34Å; I282-T285 PolarHBondContact O-N 2.76Å; I282-T285 VanDerWaalsContact O-N 3.14Å; I282-T285 PolarHBondContact O-OG1 2.9Å; I282-L287 HydrophobicContact CG2-CD1 4.21Å
283K40.7Very low47.4Very low160 Ų160100.4 Ų100.470%0.69653%0.533SS*.Hα-helixtrans-60.5-28-179-84.8-175.9176.1-1750114.6P279 T285P279-K283 WeakPolarHBondContact O-CG 3.39Å; P279-K283 PolarHBondContact O-N 3.13Å; K283-T285 PolarHBondContact O-N 2.73Å
284K45.1Very low45.5Very low186 Ų186100.8 Ų100.881%0.80954%0.543SS*.THydrogen-bonded Turntrans-76-4.5-179.7-142175.7-174.11770113.7I282I282-K284 VanDerWaalsContact C-N 3.26Å; I282-K284 PolarHBondContact O-N 3.34Å
285T45.3Very low43.7Very low51 Ų5199 Ų9931%0.31354%0.544SS..THydrogen-bonded Turntrans-119.218.6-176.50.40000114I74 A281 I282 K283I74-T285 HydrophobicContact CD1-CG2 3.77Å; A281-T285 PolarHBondContact O-OG1 3.26Å; I282-T285 PolarHBondContact O-N 2.76Å; I282-T285 VanDerWaalsContact O-N 3.14Å; I282-T285 PolarHBondContact O-OG1 2.9Å; K283-T285 PolarHBondContact O-N 2.73Å
286V44Very low42.2Very low62 Ų6296.2 Ų96.238%0.37655%0.546SS..  trans61.472.6163.2-166.50000113.9K289V286-K289 HydrophobicContact CG1-CB 3.74Å; V286-K289 HydrophobicContact CG1-CD 4.08Å; V286-K289 HydrophobicContact CG1-CG 3.66Å
287L41.7Very low41Very low86 Ų8696.1 Ų96.145%0.4556%0.561SS.*SBendtrans-77.2-6.5157-128.8107.7000112.4I282I282-L287 HydrophobicContact CG2-CD1 4.21Å
288D37.9Very low39.9Very low122 Ų12298.8 Ų98.865%0.65259%0.586SS**THydrogen-bonded Turntrans-85.2-16-174-68.5-23.9000113.9
289K43.6Very low39.3Very low152 Ų15299.9 Ų99.966%0.66160%0.599SS**THydrogen-bonded Turntrans-93.2-30.8175.4-73.6-172.9178.1-178.80113.8V286 K291 L292V286-K289 HydrophobicContact CG1-CB 3.74Å; V286-K289 HydrophobicContact CG1-CD 4.08Å; V286-K289 HydrophobicContact CG1-CG 3.66Å; K289-K291 VanDerWaalsContact C-N 3.31Å; K289-K291 PolarHBondContact O-N 2.97Å; K289-L292 PolarHBondContact O-N 3.2Å
290V42.9Very low38.4Very low107 Ų107105 Ų10565%0.64861%0.614SS**Hα-helixtrans-72-25-177.3-177.80000112.5
291K34.1Very low37.4Very low144 Ų144106.7 Ų106.763%0.62662%0.622SS**Hα-helixtrans-82.6-13177.4-76.7-174.4175.9-178.60114.8K289 S294K289-K291 VanDerWaalsContact C-N 3.31Å; K289-K291 PolarHBondContact O-N 2.97Å; K291-S294 PolarHBondContact O-OG 3.29Å
292L33.2Very low36.5Very low118 Ų118110.7 Ų110.762%0.61865%0.648SS**Hα-helixtrans-82-29.6179.3-88.3154.5000112.2K289 S295K289-L292 PolarHBondContact O-N 3.2Å; L292-S295 PolarHBondContact O-OG 2.91Å
293D34.1Very low35.5Very low135 Ų135113.9 Ų113.972%0.72268%0.675SS**Hα-helixtrans-83.5-18179.9-73.5-16.9000114S295D293-S295 VanDerWaalsContact C-N 3.32Å
294S33.5Very low34.8Very low96 Ų96109.5 Ų109.567%0.67168%0.675SS**THydrogen-bonded Turntrans-81-8.9175.354.40000114K291K291-S294 PolarHBondContact O-OG 3.29Å
295S32Very low34Very low86 Ų86109.9 Ų109.960%0.60168%0.679SS**SBendtrans-105-7.2179.161.50000114.6L292 D293L292-S295 PolarHBondContact O-OG 2.91Å; D293-S295 VanDerWaalsContact C-N 3.32Å
296A32.3Very low33.3Very low87 Ų87114.2 Ų114.272%0.71970%0.699SS**SBendtrans-88.5-6.5177.700000114.3
297G30.8Very low32.6Very low77 Ų77120.6 Ų120.679%0.79472%0.721SS**SBendtrans-95.40.7-176.100000116.3
298A31.2Very low31.8Very low91 Ų91121.8 Ų121.875%0.75274%0.737SS**SBendtrans-134.657.2-170.700000113.3
299A32Very low31.4Very low88 Ų88123.8 Ų123.873%0.72775%0.747SS**  trans-166.695.3155.500000110.3
300Q27.7Very low31.3Very low204 Ų204121.7 Ų121.795%0.95375%0.749SS**  trans177.998.5135.6-97.8170.325.900110.5
301S26.1Very low30.6Very low110 Ų110122 Ų12277%0.76975%0.754SS**  trans-155.4134.2150.564.20000111.2
302S28.6Very low30.5Very low118 Ų118120.1 Ų120.183%0.82576%0.76SS**  trans78.8139.4170.879.30000116.7
303S29Very low30.5Very low112 Ų112122.5 Ų122.578%0.78377%0.772SS**  cis-178.8139.9-12.146.20000108
304G25.5Very low30.6Very low68 Ų68120 Ų12070%0.70177%0.771SS**  trans82.7114.8145.900000120.4
305H28.5Very low31.5Very low193 Ų193121.3 Ų121.389%0.89478%0.776SS**  -176.7156.9101-103.9-60.7000113.9
306I30.9Very low31.6Very low142 Ų142122.2 Ų122.273%0.72879%0.789SS**  trans-86.6153.5-164.9-75.2156.3000114
307K28.4Very low31.6Very low196 Ų196121.3 Ų121.385%0.85279%0.788SS**  trans116.5136.1157.3-82.6151.5-179.2-170.80112.4
308S26.6Very low32Very low112 Ų112127.6 Ų127.678%0.78379%0.794SS**  cis-166.6149.6441.10000109.2
309L27.6Very low32.5Very low163 Ų163136 Ų13685%0.85382%0.818SS**  trans-47.7173165.4-80.4148.8000114.5
310P43.3Very low32.5Very low109 Ų109138.5 Ų138.571%0.70882%0.822SS**  cis-146.3170.921.738.6-16.9000119.6
311C27.8Very low32.7Very low112 Ų112135 Ų13576%0.75782%0.815SS**  trans57.7118.5139.7-84.50000122.8
312S30.7Very low33.1Very low106 Ų106136.4 Ų136.474%0.74182%0.818SS**  170.8113.698.542.20000109.7
313L33Very low33.4Very low167 Ų167137.5 Ų137.587%0.87482%0.817SS**  50.893.2104.9-73.1163.4000113.6
314A37.6Very low33.7Very low84 Ų84139.1 Ų139.169%0.69482%0.82SS**  96170.990.300000112.2
315P51.4Low34.2Very low122 Ų122143.8 Ų143.879%0.79283%0.827SS**  -135-160.1-67.341.4-25.2000112
316A34.3Very low34.6Very low105 Ų105140.3 Ų140.387%0.86882%0.823SS**  trans90.2131.5166.300000115.3
317G32.4Very low34.9Very low68 Ų68140.2 Ų140.270%0.70183%0.83SS**  cis147.9137.910.200000107.6
318K39Very low35.4Very low209 Ų209135.5 Ų135.591%0.90983%0.828SS**  trans40128.2160.6-60.8-177.4176-176.20117.6
319E41.5Very low36.2Very low269 Ų269137.6 Ų137.6100%1.25783%0.832SS**  cis-144.7049.9-73.5176.114600112.7

Retrieved 319 of 319 residues in 289.5 ms (Link to these results)

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