A0A087Y7H8_POEFO Loading...

glycogenin glucosyltransferase

Glycogenin participates in the glycogen biosynthetic process along with glycogen synthase and glycogen branching enzyme. It catalyzes the formation of a short alpha (1,4)-glucosyl chain covalently attached via a glucose 1-O-tyrosyl linkage to internal tyrosine residues and these chains act as primers for the elongation reaction catalyzed by glycogen synthase.

AlphaFold DB , UniProt , Accession A0A087Y7H8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 337 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
1M49.4Very low90.2Very high232 Ų23238.9 Ų38.9100%1.14321%0.211SC*.  0144.40-76.3-176.6-83.300107.2D3M1-D3 PolarHBondContact O-N 3.24Å
2A67.6Low90.5Very high49 Ų4940.3 Ų40.341%0.40522%0.218SC..  trans-65.8118.4174.300000108.7Q4 K34A2-Q4 VanDerWaalsContact C-N 3.35Å; A2-K34 HydrophobicContact CB-CG 4.18Å
3D93Very high90.9Very high81 Ų8140.5 Ų40.543%0.43322%0.219SC..  trans-97.113.4-178.165.4-36.3000112.1M1 Y95 S96M1-D3 PolarHBondContact O-N 3.24Å; D3-Y95 CarbonylContact O-C 3.43Å; D3-Y95 VanDerWaalsContact O-CA 3.22Å; D3-Y95 WeakPolarHBondContact O-CA 3.28Å; D3-Y95 WeakPolarHBondContact O-CB 3.42Å; D3-S96 VanDerWaalsContact CG-OG 3.24Å; D3-S96 PolarHBondContact O-N 2.59Å; D3-S96 PolarHBondContact O-OG 3.01Å; D3-S96 VanDerWaalsContact OD2-CB 3.28Å; D3-S96 WeakPolarHBondContact OD2-CB 3.47Å; D3-S96 PolarHBondContact OD2-OG 3.35Å
4Q98.6Very high91.2Very high32 Ų3240.4 Ų40.415%0.1522%0.223CC..EExtended strand (participates in β ladder)trans-133.1141.7-173.3-71.9-176.8-21.800111.4A2 K33 K34 K97 F115A2-Q4 VanDerWaalsContact C-N 3.35Å; Q4-K33 HydrophobicContact CB-CD 3.97Å; Q4-K34 PolarHBondContact O-N 3.19Å; Q4-K97 VanDerWaalsContact CA-O 3.31Å; Q4-K97 WeakPolarHBondContact CA-O 3.37Å; Q4-K97 HydrophobicContact CG-CB 4.25Å; Q4-F115 HydrophobicContact CB-CD1 3.64Å; Q4-F115 HydrophobicContact CB-CE1 3.65Å; Q4-F115 HydrophobicContact CG-CD1 3.87Å; Q4-F115 HydrophobicContact CG-CE1 4.33Å
5A98.8Very high91.6Very high0 Ų042.9 Ų42.90%023%0.228CC..EExtended strand (participates in β ladder)trans-142.4148.8-174.500000114.9K34 V36 Y95 K97 C98 V99 F115A5-K34 CarbonylContact C-O 3.52Å; A5-K34 WeakPolarHBondContact CA-O 3.2Å; A5-K34 HydrophobicContact CB-CB 3.91Å; A5-K34 WeakPolarHBondContact CB-O 3.29Å; A5-V36 HydrophobicContact CB-CG2 3.8Å; A5-Y95 HydrophobicContact CB-CD1 3.84Å; A5-Y95 HydrophobicContact CB-CD2 4.13Å; A5-Y95 HydrophobicContact CB-CE1 3.79Å; A5-Y95 HydrophobicContact CB-CE2 4.09Å; A5-Y95 HydrophobicContact CB-CG 4.03Å; A5-K97 PolarHBondContact N-O 2.81Å; A5-C98 CarbonylContact O-C 3.49Å; A5-C98 WeakPolarHBondContact O-CA 3.32Å; A5-V99 PolarHBondContact O-N 3.24Å; A5-F115 WeakPolarHBondContact O-CE1 3.37Å; A5-F115 WeakPolarHBondContact O-CZ 3.2Å
6F98.9Very high92Very high4 Ų440.2 Ų40.22%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-82.3136.4156-70.4-83.3000109.2L26 T31 K33 K34 L35 V36 V99 M101 I111 F115F6-L26 HydrophobicContact CB-CD1 3.89Å; F6-L26 HydrophobicContact CD1-CD1 4.33Å; F6-L26 HydrophobicContact CD1-CD2 4.11Å; F6-L26 HydrophobicContact CD2-CD1 4.27Å; F6-L26 HydrophobicContact CD2-CD2 3.91Å; F6-L26 HydrophobicContact CE1-CD2 4.06Å; F6-L26 HydrophobicContact CE2-CD2 3.85Å; F6-L26 HydrophobicContact CG-CD1 3.91Å; F6-L26 HydrophobicContact CG-CD2 4.04Å; F6-L26 HydrophobicContact CZ-CD2 3.93Å; F6-T31 WeakPolarHBondContact CE2-OG1 3.46Å; F6-K33 HydrophobicContact CD2-CB 3.97Å; F6-K33 HydrophobicContact CD2-CG 4.5Å; F6-K33 HydrophobicContact CE2-CB 4.03Å; F6-K33 HydrophobicContact CE2-CG 4.07Å; F6-K34 PolarHBondContact N-O 3.24Å; F6-L35 HydrophobicContact CB-CD2 3.84Å; F6-L35 HydrophobicContact CD2-CD2 4.07Å; F6-L35 HydrophobicContact CG-CD2 4.36Å; F6-V36 PolarHBondContact O-N 2.64Å; F6-V99 CarbonylContact C-O 3.55Å; F6-V99 VanDerWaalsContact CA-O 3.31Å; F6-V99 WeakPolarHBondContact CA-O 3.1Å; F6-V99 HydrophobicContact CD1-CB 3.63Å; F6-V99 HydrophobicContact CD1-CG1 3.88Å; F6-V99 HydrophobicContact CD1-CG2 4.45Å; F6-V99 HydrophobicContact CE1-CB 3.73Å; F6-V99 HydrophobicContact CE1-CG1 3.8Å; F6-V99 HydrophobicContact CE1-CG2 4.13Å; F6-M101 HydrophobicContact CD1-CG 4.23Å; F6-M101 HydrophobicContact CD1-SD 3.63Å; F6-M101 HydrophobicContact CE1-SD 3.95Å; F6-I111 HydrophobicContact CE1-CD1 3.66Å; F6-I111 HydrophobicContact CE1-CG1 3.94Å; F6-I111 HydrophobicContact CZ-CD1 4.01Å; F6-I111 HydrophobicContact CZ-CG1 3.74Å; F6-F115 HydrophobicContact CD2-CE2 4.11Å; F6-F115 HydrophobicContact CD2-CZ 4.16Å; F6-F115 HydrophobicContact CE1-CE2 4.02Å; F6-F115 HydrophobicContact CE1-CZ 4.46Å; F6-F115 AromaticContact CE2-CE2 3.54Å; F6-F115 HydrophobicContact CE2-CE2 3.54Å; F6-F115 HydrophobicContact CE2-CZ 4.06Å; F6-F115 HydrophobicContact CG-CZ 4.39Å; F6-F115 HydrophobicContact CZ-CD2 4.46Å; F6-F115 AromaticContact CZ-CE2 3.49Å; F6-F115 HydrophobicContact CZ-CE2 3.49Å; F6-F115 VanDerWaalsContact CZ-CE2 3.49Å; F6-F115 HydrophobicContact CZ-CZ 4.22Å
7V98.9Very high92.3Very high1 Ų140.1 Ų40.11%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-124.5132-177.7-1730000109.2V36 L38 C89 L92 C98 V99 F100 M101 F139V7-V36 WeakPolarHBondContact CA-O 3.27Å; V7-V36 HydrophobicContact CG1-CB 4.49Å; V7-V36 HydrophobicContact CG2-CB 4.22Å; V7-L38 HydrophobicContact CG1-CD1 4.45Å; V7-L38 HydrophobicContact CG1-CG 4.24Å; V7-C89 HydrophobicContact CG1-CB 4.04Å; V7-L92 HydrophobicContact CG1-CD1 3.86Å; V7-L92 HydrophobicContact CG2-CD1 3.8Å; V7-C98 HydrophobicContact CG2-CB 3.86Å; V7-V99 PolarHBondContact N-O 2.97Å; V7-F100 HydrophobicContact CB-CD2 4.31Å; V7-F100 HydrophobicContact CG1-CD2 4.23Å; V7-F100 HydrophobicContact CG1-CE2 4.48Å; V7-F100 CarbonylContact O-C 3.47Å; V7-F100 VanDerWaalsContact O-CA 3.32Å; V7-F100 WeakPolarHBondContact O-CA 3.39Å; V7-M101 PolarHBondContact O-N 2.87Å; V7-F139 HydrophobicContact CG2-CZ 4.35Å
8T98.9Very high92.6Very high1 Ų137.8 Ų37.81%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-129.3166.2172.1-175.70000110.6A19 L22 V36 V37 L38 F55 M101T8-A19 HydrophobicContact CG2-CB 3.99Å; T8-L22 HydrophobicContact CG2-CD2 4.32Å; T8-V36 PolarHBondContact N-O 2.84Å; T8-V37 HydrophobicContact CG2-CB 3.83Å; T8-V37 HydrophobicContact CG2-CG2 3.8Å; T8-V37 WeakPolarHBondContact O-CA 3.46Å; T8-L38 PolarHBondContact O-N 2.76Å; T8-F55 HydrophobicContact CG2-CE1 3.58Å; T8-F55 HydrophobicContact CG2-CZ 3.68Å; T8-M101 VanDerWaalsContact CA-O 3.32Å; T8-M101 WeakPolarHBondContact CA-O 3.36Å; T8-M101 VanDerWaalsContact CB-O 3.27Å; T8-M101 WeakPolarHBondContact CB-O 3.38Å; T8-M101 PolarHBondContact OG1-O 2.67Å; T8-M101 VanDerWaalsContact OG1-O 3.09Å
9L98.3Very high93Very high12 Ų1235.8 Ų35.86%0.06319%0.188CC..EExtended strand (participates in β ladder)trans-123136.8176.2172.864.6000111.1T11 L38 V82 T85 K86 F100 A103L9-T11 HydrophobicContact CD1-CG2 3.9Å; L9-T11 HydrophobicContact CD2-CG2 3.99Å; L9-T11 HydrophobicContact CG-CG2 3.95Å; L9-L38 CarbonylContact C-O 3.59Å; L9-L38 WeakPolarHBondContact CA-O 3.31Å; L9-L38 HydrophobicContact CD1-CB 3.79Å; L9-V82 HydrophobicContact CD2-CG1 4.33Å; L9-T85 HydrophobicContact CD1-CG2 3.57Å; L9-T85 HydrophobicContact CD2-CG2 4.36Å; L9-K86 HydrophobicContact CD2-CB 3.82Å; L9-F100 HydrophobicContact CB-CE2 4.42Å; L9-F100 HydrophobicContact CB-CZ 4.06Å; L9-A103 WeakPolarHBondContact O-CB 3.47Å
10A96.8Very high93.3Very high0 Ų034.1 Ų34.10%018%0.178CC..EExtended strand (participates in β ladder)trans-130.8112.7168.300000110.9A16 A19 V37 L38 V39 G40 V43A10-A16 HydrophobicContact CB-CB 4.16Å; A10-A19 HydrophobicContact CB-CB 4.27Å; A10-V37 HydrophobicContact CB-CG2 4.45Å; A10-L38 PolarHBondContact N-O 2.84Å; A10-V39 WeakPolarHBondContact O-CA 3.43Å; A10-G40 PolarHBondContact O-N 2.57Å; A10-V43 WeakPolarHBondContact O-CG2 3.31Å
11T92.9Very high93.5Very high16 Ų1632.4 Ų32.410%0.09817%0.17CC..SBendtrans-99.89.2179.557.60000113.1L9 Q42 V82 T85L9-T11 HydrophobicContact CD1-CG2 3.9Å; L9-T11 HydrophobicContact CD2-CG2 3.99Å; L9-T11 HydrophobicContact CG-CG2 3.95Å; T11-Q42 WeakPolarHBondContact O-CG 3.29Å; T11-Q42 PolarHBondContact O-NE2 3.08Å; T11-V82 HydrophobicContact CG2-CG1 4.27Å; T11-T85 HydrophobicContact CG2-CG2 4.4Å
12N94Very high95.9Very high55 Ų5521.5 Ų21.529%0.29412%0.116SC..SBendtrans-170.2172.517154.164.4000109S14 Y15 A16 Q42N12-S14 PolarHBondContact O-N 2.67Å; N12-S14 WeakPolarHBondContact OD1-CA 3.26Å; N12-S14 WeakPolarHBondContact OD1-CB 3.28Å; N12-S14 PolarHBondContact OD1-N 2.8Å; N12-Y15 PolarHBondContact O-N 3.2Å; N12-Y15 WeakPolarHBondContact OD1-CD2 3.4Å; N12-Y15 PolarHBondContact OD1-N 3.16Å; N12-A16 WeakPolarHBondContact O-CB 3.44Å; N12-A16 PolarHBondContact O-N 3.26Å; N12-Q42 HydrophobicContact CB-CG 4.48Å
13D95.7Very high97.4Very high43 Ų4319.1 Ų19.123%0.2310%0.097CC..Hα-helixtrans-62.2-28.7-177.8-727000113.7A16 R17 V43 S44D13-A16 PolarHBondContact O-N 2.96Å; D13-R17 WeakPolarHBondContact O-CG 3.31Å; D13-R17 PolarHBondContact O-N 3.09Å; D13-R17 VanDerWaalsContact O-N 3.09Å; D13-V43 WeakPolarHBondContact OD1-CA 3.33Å; D13-S44 VanDerWaalsContact CG-OG 3.29Å; D13-S44 PolarHBondContact OD1-N 3.19Å; D13-S44 PolarHBondContact OD1-OG 3.45Å; D13-S44 WeakPolarHBondContact OD2-CB 3.39Å; D13-S44 PolarHBondContact OD2-OG 3.26Å
14S95.2Very high97.6Very high39 Ų3917.3 Ų17.327%0.2739%0.085SC..Hα-helixtrans-69-47176.4-67.50000111.7N12 A16 R17 G18N12-S14 PolarHBondContact O-N 2.67Å; N12-S14 WeakPolarHBondContact OD1-CA 3.26Å; N12-S14 WeakPolarHBondContact OD1-CB 3.28Å; N12-S14 PolarHBondContact OD1-N 2.8Å; S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 3.21Å; S14-R17 WeakPolarHBondContact O-CB 3.38Å; S14-R17 PolarHBondContact O-N 2.72Å; S14-R17 PolarHBondContact OG-NH2 2.67Å; S14-G18 PolarHBondContact O-N 3.13Å
15Y96.5Very high97.7Very high78 Ų7815.8 Ų15.831%0.3068%0.078SC..Hα-helixtrans-70.6-26.2172.4-79-93000112.4N12 R17 G18 A19 A103 W220N12-Y15 PolarHBondContact O-N 3.2Å; N12-Y15 WeakPolarHBondContact OD1-CD2 3.4Å; N12-Y15 PolarHBondContact OD1-N 3.16Å; Y15-R17 VanDerWaalsContact C-N 3.29Å; Y15-R17 PolarHBondContact O-N 3.09Å; Y15-G18 WeakPolarHBondContact O-CA 3.47Å; Y15-G18 PolarHBondContact O-N 3.04Å; Y15-G18 VanDerWaalsContact O-N 3.16Å; Y15-A19 PolarHBondContact O-N 3.02Å; Y15-A103 HydrophobicContact CD1-CB 4.19Å; Y15-W220 AromaticContact CD1-CH2 3.72Å; Y15-W220 HydrophobicContact CD1-CH2 3.72Å; Y15-W220 AromaticContact CD1-CZ2 3.79Å; Y15-W220 HydrophobicContact CD1-CZ2 3.79Å; Y15-W220 HydrophobicContact CD2-CZ2 4.05Å; Y15-W220 AromaticContact CE1-CH2 3.91Å; Y15-W220 HydrophobicContact CE1-CH2 3.91Å; Y15-W220 AromaticContact CE1-CZ2 3.83Å; Y15-W220 HydrophobicContact CE1-CZ2 3.83Å; Y15-W220 HydrophobicContact CE2-CZ2 4.11Å; Y15-W220 HydrophobicContact CG-CH2 4.18Å; Y15-W220 AromaticContact CG-CZ2 3.92Å; Y15-W220 HydrophobicContact CG-CZ2 3.92Å; Y15-W220 AromaticContact CZ-CZ2 3.99Å
16A98Very high97.7Very high0 Ų016.1 Ų16.10%08%0.079CC..Hα-helixtrans-62.3-37.7171.900000111.4A10 N12 D13 S14 G18 A19 M20 V43 C47 L51A10-A16 HydrophobicContact CB-CB 4.16Å; N12-A16 WeakPolarHBondContact O-CB 3.44Å; N12-A16 PolarHBondContact O-N 3.26Å; D13-A16 PolarHBondContact O-N 2.96Å; S14-A16 VanDerWaalsContact C-N 3.3Å; S14-A16 PolarHBondContact O-N 3.21Å; A16-G18 VanDerWaalsContact C-N 3.35Å; A16-G18 PolarHBondContact O-N 3.35Å; A16-A19 PolarHBondContact O-N 2.85Å; A16-M20 HydrophobicContact CB-CE 4.13Å; A16-M20 WeakPolarHBondContact O-CG 3.22Å; A16-M20 PolarHBondContact O-N 3.2Å; A16-V43 HydrophobicContact CB-CG1 4.1Å; A16-C47 HydrophobicContact CB-CB 4.09Å; A16-L51 HydrophobicContact CB-CD1 4.26Å
17R97.9Very high97.6Very high38 Ų3819.6 Ų19.614%0.1439%0.093CC..Hα-helixtrans-60-44.4171.7-70.4-178.7-87.5-154.8-5.2111.8D13 S14 Y15 M20 V21 Y252 H270D13-R17 WeakPolarHBondContact O-CG 3.31Å; D13-R17 PolarHBondContact O-N 3.09Å; D13-R17 VanDerWaalsContact O-N 3.09Å; S14-R17 WeakPolarHBondContact O-CB 3.38Å; S14-R17 PolarHBondContact O-N 2.72Å; S14-R17 PolarHBondContact OG-NH2 2.67Å; Y15-R17 VanDerWaalsContact C-N 3.29Å; Y15-R17 PolarHBondContact O-N 3.09Å; R17-M20 PolarHBondContact O-N 3.28Å; R17-V21 WeakPolarHBondContact O-CG2 3.43Å; R17-V21 PolarHBondContact O-N 2.63Å; R17-V21 VanDerWaalsContact O-N 3.17Å; R17-Y252 HydrophobicContact CB-CE2 3.92Å; R17-Y252 VanDerWaalsContact CD-OH 3.24Å; R17-Y252 WeakPolarHBondContact CD-OH 3.31Å; R17-Y252 HydrophobicContact CG-CE2 3.86Å; R17-H270 PolarHBondContact NH1-O 2.82Å
18G98.4Very high97.6Very high0 Ų023.5 Ų23.50%011%0.113CC..Hα-helixtrans-56.5-52.2172.500000112.6S14 Y15 A16 M20 V21 L22 A103 W220S14-G18 PolarHBondContact O-N 3.13Å; Y15-G18 WeakPolarHBondContact O-CA 3.47Å; Y15-G18 PolarHBondContact O-N 3.04Å; Y15-G18 VanDerWaalsContact O-N 3.16Å; A16-G18 VanDerWaalsContact C-N 3.35Å; A16-G18 PolarHBondContact O-N 3.35Å; G18-M20 VanDerWaalsContact C-N 3.31Å; G18-M20 PolarHBondContact O-N 2.76Å; G18-V21 PolarHBondContact O-N 2.8Å; G18-L22 PolarHBondContact O-N 3.04Å; G18-A103 CarbonylContact C-O 3.47Å; G18-A103 WeakPolarHBondContact CA-O 3.45Å; G18-W220 VanDerWaalsContact CA-CZ3 3.49Å
19A98.8Very high97.6Very high0 Ų026.2 Ų26.20%013%0.126CC..Hα-helixtrans-58.9-39.5179.100000112.4T8 A10 Y15 A16 V21 L22 G23 V37 L51 F55 A103T8-A19 HydrophobicContact CG2-CB 3.99Å; A10-A19 HydrophobicContact CB-CB 4.27Å; Y15-A19 PolarHBondContact O-N 3.02Å; A16-A19 PolarHBondContact O-N 2.85Å; A19-V21 PolarHBondContact O-N 3.1Å; A19-L22 PolarHBondContact O-N 3.02Å; A19-G23 PolarHBondContact O-N 3.23Å; A19-V37 HydrophobicContact CB-CG2 4.37Å; A19-L51 HydrophobicContact CB-CD2 4.06Å; A19-F55 HydrophobicContact CB-CZ 4.41Å; A19-F55 WeakPolarHBondContact O-CE2 3.37Å; A19-F55 VanDerWaalsContact O-CZ 3.22Å; A19-F55 WeakPolarHBondContact O-CZ 3.17Å; A19-A103 HydrophobicContact CB-CB 4.03Å
20M98.8Very high97.6Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-61.2-43.8174.8-67.6163.8-164.500111.8A16 R17 G18 K24 C47 V50 L51 I54 V256 L260A16-M20 HydrophobicContact CB-CE 4.13Å; A16-M20 WeakPolarHBondContact O-CG 3.22Å; A16-M20 PolarHBondContact O-N 3.2Å; R17-M20 PolarHBondContact O-N 3.28Å; G18-M20 VanDerWaalsContact C-N 3.31Å; G18-M20 PolarHBondContact O-N 2.76Å; M20-K24 WeakPolarHBondContact O-CB 3.37Å; M20-K24 WeakPolarHBondContact O-CG 3.44Å; M20-K24 PolarHBondContact O-N 2.57Å; M20-C47 HydrophobicContact CE-CB 3.88Å; M20-C47 VanDerWaalsContact CE-O 3.28Å; M20-C47 WeakPolarHBondContact CE-O 3.43Å; M20-V50 HydrophobicContact CE-CB 3.85Å; M20-V50 HydrophobicContact CE-CG1 3.99Å; M20-V50 HydrophobicContact CG-CG1 3.98Å; M20-V50 HydrophobicContact SD-CB 4.14Å; M20-V50 HydrophobicContact SD-CG1 3.61Å; M20-L51 HydrophobicContact CE-CD2 4.24Å; M20-L51 HydrophobicContact CE-CG 3.92Å; M20-L51 HydrophobicContact CG-CD2 3.7Å; M20-L51 HydrophobicContact CG-CG 4.32Å; M20-I54 HydrophobicContact CB-CD1 3.78Å; M20-I54 HydrophobicContact CG-CD1 3.89Å; M20-V256 HydrophobicContact CB-CB 4.45Å; M20-V256 HydrophobicContact CB-CG1 3.68Å; M20-V256 HydrophobicContact CB-CG2 3.85Å; M20-V256 HydrophobicContact CG-CG1 4.14Å; M20-V256 HydrophobicContact SD-CG1 3.45Å; M20-V256 WeakPolarHBondContact SD-CG1 3.11Å; M20-L260 HydrophobicContact CE-CD2 4.13Å; M20-L260 HydrophobicContact SD-CD1 4.37Å; M20-L260 HydrophobicContact SD-CD2 4.19Å; M20-L260 HydrophobicContact SD-CG 4.4Å
21V98.8Very high97.7Very high0 Ų032.9 Ų32.90%016%0.162CC..Hα-helixtrans-65.9-44.4177.4177.50000111R17 G18 A19 K24 S25 L106 W248 L251 Y252 V256R17-V21 WeakPolarHBondContact O-CG2 3.43Å; R17-V21 PolarHBondContact O-N 2.63Å; R17-V21 VanDerWaalsContact O-N 3.17Å; G18-V21 PolarHBondContact O-N 2.8Å; A19-V21 PolarHBondContact O-N 3.1Å; V21-K24 PolarHBondContact O-N 2.77Å; V21-S25 WeakPolarHBondContact O-CB 3.39Å; V21-S25 PolarHBondContact O-N 2.97Å; V21-S25 PolarHBondContact O-OG 3.29Å; V21-L106 HydrophobicContact CG1-CD1 3.95Å; V21-W248 HydrophobicContact CB-CZ2 4.27Å; V21-W248 HydrophobicContact CG1-CD2 4.35Å; V21-W248 HydrophobicContact CG1-CG 4.04Å; V21-W248 HydrophobicContact CG2-CD2 4.33Å; V21-W248 HydrophobicContact CG2-CH2 4.3Å; V21-W248 HydrophobicContact CG2-CZ2 3.66Å; V21-L251 HydrophobicContact CG1-CB 4.47Å; V21-L251 HydrophobicContact CG1-CD2 3.87Å; V21-L251 HydrophobicContact CG1-CG 4.25Å; V21-Y252 HydrophobicContact CG2-CD2 3.71Å; V21-Y252 HydrophobicContact CG2-CG 4.15Å; V21-V256 HydrophobicContact CG2-CG2 4.13Å
22L98.9Very high97.9Very high2 Ų236 Ų361%0.0119%0.185CC..Hα-helixtrans-56.7-53.5174.7172.659.1000111.1T8 G18 A19 K24 S25 L26 M101 T105 V107T8-L22 HydrophobicContact CG2-CD2 4.32Å; G18-L22 PolarHBondContact O-N 3.04Å; A19-L22 PolarHBondContact O-N 3.02Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 2.9Å; L22-S25 PolarHBondContact O-N 3.39Å; L22-S25 VanDerWaalsContact O-N 3.07Å; L22-S25 PolarHBondContact O-OG 2.86Å; L22-L26 HydrophobicContact CD1-CD1 4.09Å; L22-L26 HydrophobicContact CD1-CG 4.37Å; L22-L26 HydrophobicContact CG-CD1 4.24Å; L22-L26 PolarHBondContact O-N 3.37Å; L22-M101 HydrophobicContact CD1-CB 4.5Å; L22-M101 HydrophobicContact CD1-CE 4.03Å; L22-M101 HydrophobicContact CD1-SD 4.11Å; L22-M101 HydrophobicContact CD2-CB 3.82Å; L22-T105 WeakPolarHBondContact CD1-OG1 3.39Å; L22-V107 HydrophobicContact CD1-CG2 3.91Å
23G98.9Very high98.2Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-58.6-44.2179.100000112.3A19 S25 L26 R27A19-G23 PolarHBondContact O-N 3.23Å; G23-S25 PolarHBondContact O-N 3.4Å; G23-L26 PolarHBondContact O-N 3.3Å; G23-R27 WeakPolarHBondContact O-CG 3.29Å; G23-R27 PolarHBondContact O-N 2.61Å
24K98.8Very high98.3Very high42 Ų4236.8 Ų36.818%0.18318%0.183CC..Hα-helixtrans-62.9-40173.9-76.9-58.9-52.51780112.5M20 V21 L22 R27 N28 I54 L251 V256M20-K24 WeakPolarHBondContact O-CB 3.37Å; M20-K24 WeakPolarHBondContact O-CG 3.44Å; M20-K24 PolarHBondContact O-N 2.57Å; V21-K24 PolarHBondContact O-N 2.77Å; L22-K24 VanDerWaalsContact C-N 3.35Å; L22-K24 PolarHBondContact O-N 2.9Å; K24-R27 PolarHBondContact O-N 2.77Å; K24-N28 WeakPolarHBondContact O-CB 3.37Å; K24-N28 PolarHBondContact O-N 3.07Å; K24-N28 PolarHBondContact O-OD1 2.59Å; K24-I54 HydrophobicContact CD-CD1 4.36Å; K24-I54 HydrophobicContact CD-CG1 4.14Å; K24-I54 HydrophobicContact CD-CG2 4.4Å; K24-I54 HydrophobicContact CG-CD1 4.06Å; K24-I54 HydrophobicContact CG-CG1 4.35Å; K24-I54 HydrophobicContact CG-CG2 4.4Å; K24-L251 HydrophobicContact CB-CD1 4.24Å; K24-L251 HydrophobicContact CB-CD2 4.27Å; K24-L251 HydrophobicContact CB-CG 4.4Å; K24-V256 HydrophobicContact CG-CG2 4.33Å
25S98.8Very high98.5Very high1 Ų135 Ų351%0.00717%0.17CC..Hα-helixtrans-65.1-41178.5740000111.8V21 L22 G23 N28 H29 V107V21-S25 WeakPolarHBondContact O-CB 3.39Å; V21-S25 PolarHBondContact O-N 2.97Å; V21-S25 PolarHBondContact O-OG 3.29Å; L22-S25 PolarHBondContact O-N 3.39Å; L22-S25 VanDerWaalsContact O-N 3.07Å; L22-S25 PolarHBondContact O-OG 2.86Å; G23-S25 PolarHBondContact O-N 3.4Å; S25-N28 PolarHBondContact O-N 2.92Å; S25-H29 PolarHBondContact O-N 3.09Å; S25-H29 PolarHBondContact O-ND1 2.95Å; S25-V107 WeakPolarHBondContact OG-CB 3.49Å; S25-V107 PolarHBondContact OG-N 3.38Å
26L98.9Very high98.6Very high6 Ų631.2 Ų31.23%0.03116%0.156CC..Hα-helixtrans-61.5-46173.2-78164.3000112F6 L22 G23 H29 N30 T31 L35 M101 V107 I111F6-L26 HydrophobicContact CB-CD1 3.89Å; F6-L26 HydrophobicContact CD1-CD1 4.33Å; F6-L26 HydrophobicContact CD1-CD2 4.11Å; F6-L26 HydrophobicContact CD2-CD1 4.27Å; F6-L26 HydrophobicContact CD2-CD2 3.91Å; F6-L26 HydrophobicContact CE1-CD2 4.06Å; F6-L26 HydrophobicContact CE2-CD2 3.85Å; F6-L26 HydrophobicContact CG-CD1 3.91Å; F6-L26 HydrophobicContact CG-CD2 4.04Å; F6-L26 HydrophobicContact CZ-CD2 3.93Å; L22-L26 HydrophobicContact CD1-CD1 4.09Å; L22-L26 HydrophobicContact CD1-CG 4.37Å; L22-L26 HydrophobicContact CG-CD1 4.24Å; L22-L26 PolarHBondContact O-N 3.37Å; G23-L26 PolarHBondContact O-N 3.3Å; L26-H29 CarbonylContact O-C 3.17Å; L26-H29 PolarHBondContact O-N 3.26Å; L26-N30 PolarHBondContact O-N 2.85Å; L26-T31 HydrophobicContact CB-CG2 4.07Å; L26-T31 PolarHBondContact O-N 2.84Å; L26-L35 HydrophobicContact CB-CD1 4.33Å; L26-L35 HydrophobicContact CB-CD2 4.1Å; L26-L35 HydrophobicContact CD1-CD2 3.7Å; L26-L35 HydrophobicContact CG-CD2 4.46Å; L26-M101 HydrophobicContact CD1-SD 4.43Å; L26-V107 HydrophobicContact CD2-CB 4.46Å; L26-V107 HydrophobicContact CD2-CG1 4.37Å; L26-V107 HydrophobicContact CD2-CG2 3.77Å; L26-V107 HydrophobicContact CG-CG2 3.89Å; L26-I111 HydrophobicContact CD2-CD1 4.2Å; L26-I111 HydrophobicContact CD2-CG1 4.27Å
27R98.6Very high98.6Very high78 Ų7831.2 Ų31.229%0.29416%0.156SC..Hα-helixtrans-62.4-43.4176.6-68.3-59-169.4-160.6-3.2112.6G23 K24 H29 N30 L35 D56G23-R27 WeakPolarHBondContact O-CG 3.29Å; G23-R27 PolarHBondContact O-N 2.61Å; K24-R27 PolarHBondContact O-N 2.77Å; R27-H29 PolarHBondContact O-N 3.28Å; R27-N30 PolarHBondContact O-N 2.87Å; R27-L35 HydrophobicContact CG-CD1 3.83Å; R27-D56 IonicContact CZ-OD2 3.31Å; R27-D56 IonicContact NH1-OD2 2.65Å; R27-D56 VanDerWaalsContact NH2-CG 3.26Å; R27-D56 IonicContact NH2-OD1 3.09Å; R27-D56 IonicContact NH2-OD2 3.53Å; R27-D56 PolarHBondContact NH2-OD2 2.94Å
28N98.5Very high98.6Very high82 Ų8229.4 Ų29.444%0.43915%0.149SC..Hα-helixtrans-64.3-25.5179.7-70.91.3000112.3K24 S25 N30 L251K24-N28 WeakPolarHBondContact O-CB 3.37Å; K24-N28 PolarHBondContact O-N 3.07Å; K24-N28 PolarHBondContact O-OD1 2.59Å; S25-N28 PolarHBondContact O-N 2.92Å; N28-N30 VanDerWaalsContact C-N 3.32Å; N28-L251 WeakPolarHBondContact ND2-CD1 3.32Å
29H98.7Very high98.5Very high59 Ų5929.4 Ų29.427%0.27315%0.149SC..THydrogen-bonded Turntrans-95.720.7173.6-62.599000113.1S25 L26 R27 T31 V107 L108 S109 N110S25-H29 PolarHBondContact O-N 3.09Å; S25-H29 PolarHBondContact O-ND1 2.95Å; L26-H29 CarbonylContact O-C 3.17Å; L26-H29 PolarHBondContact O-N 3.26Å; R27-H29 PolarHBondContact O-N 3.28Å; H29-T31 PolarHBondContact O-N 3.3Å; H29-V107 PolarHBondContact CE1-O 2.93Å; H29-L108 VanDerWaalsContact NE2-C 3.27Å; H29-L108 PolarHBondContact NE2-O 2.93Å; H29-L108 VanDerWaalsContact NE2-O 3.12Å; H29-S109 VanDerWaalsContact CD2-CA 3.45Å; H29-S109 WeakPolarHBondContact CD2-CA 3.5Å; H29-N110 WeakPolarHBondContact O-CB 3.47Å; H29-N110 PolarHBondContact O-ND2 2.93Å
30N98.3Very high98.2Very high135 Ų13529.5 Ų29.572%0.72215%0.15SC*.THydrogen-bonded Turntrans55.342.4169.7-55.5-52.7000114.2L26 R27 N28 S32 N110L26-N30 PolarHBondContact O-N 2.85Å; R27-N30 PolarHBondContact O-N 2.87Å; N28-N30 VanDerWaalsContact C-N 3.32Å; N30-S32 PolarHBondContact O-N 2.68Å; N30-N110 PolarHBondContact O-ND2 2.85Å
31T98.5Very high97.7Very high16 Ų1632.9 Ų32.910%0.09817%0.172CC..  trans-57.3135.1170.6-176.80000111.1F6 L26 H29 K33 L35 D112F6-T31 WeakPolarHBondContact CE2-OG1 3.46Å; L26-T31 HydrophobicContact CB-CG2 4.07Å; L26-T31 PolarHBondContact O-N 2.84Å; H29-T31 PolarHBondContact O-N 3.3Å; T31-K33 VanDerWaalsContact C-N 3.29Å; T31-K33 PolarHBondContact OG1-N 2.82Å; T31-K33 VanDerWaalsContact OG1-N 3.13Å; T31-L35 HydrophobicContact CG2-CD2 4.12Å; T31-D112 VanDerWaalsContact CB-OD1 3.29Å; T31-D112 WeakPolarHBondContact CB-OD1 3.28Å; T31-D112 PolarHBondContact OG1-OD1 3.01Å
32S97.9Very high97.2Very high82 Ų8238.2 Ų38.257%0.57320%0.196SC*.  trans-83.2-7.7172.863.20000113N30 D112N30-S32 PolarHBondContact O-N 2.68Å; S32-D112 WeakPolarHBondContact CB-OD2 3.33Å; S32-D112 PolarHBondContact N-OD2 3.13Å; S32-D112 PolarHBondContact OG-OD2 3.09Å
33K98.5Very high97Very high39 Ų3938.2 Ų38.217%0.1720%0.197CC..SBendtrans-93161.4-170.5-49-63.5179.4-178.20111.2Q4 F6 T31 F115Q4-K33 HydrophobicContact CB-CD 3.97Å; F6-K33 HydrophobicContact CD2-CB 3.97Å; F6-K33 HydrophobicContact CD2-CG 4.5Å; F6-K33 HydrophobicContact CE2-CB 4.03Å; F6-K33 HydrophobicContact CE2-CG 4.07Å; T31-K33 VanDerWaalsContact C-N 3.29Å; T31-K33 PolarHBondContact OG1-N 2.82Å; T31-K33 VanDerWaalsContact OG1-N 3.13Å; K33-F115 HydrophobicContact CB-CE2 4.18Å; K33-F115 HydrophobicContact CB-CZ 4.1Å; K33-F115 HydrophobicContact CD-CD2 4.09Å; K33-F115 HydrophobicContact CD-CE2 4.1Å; K33-F115 HydrophobicContact CD-CG 4.34Å; K33-F115 HydrophobicContact CD-CZ 4.33Å; K33-F115 HydrophobicContact CG-CD2 3.92Å; K33-F115 HydrophobicContact CG-CE2 3.51Å; K33-F115 HydrophobicContact CG-CZ 3.86Å
34K98.6Very high96.9Very high76 Ų7639.8 Ų39.833%0.3321%0.208SC..EExtended strand (participates in β ladder)trans-72150.2174.1-68.3-61.1-170-177.70110.7A2 Q4 A5 F6 D56 Y95A2-K34 HydrophobicContact CB-CG 4.18Å; Q4-K34 PolarHBondContact O-N 3.19Å; A5-K34 CarbonylContact C-O 3.52Å; A5-K34 WeakPolarHBondContact CA-O 3.2Å; A5-K34 HydrophobicContact CB-CB 3.91Å; A5-K34 WeakPolarHBondContact CB-O 3.29Å; F6-K34 PolarHBondContact N-O 3.24Å; K34-D56 WeakPolarHBondContact CA-OD2 3.47Å; K34-D56 HydrophobicContact CD-CB 3.83Å; K34-D56 WeakPolarHBondContact CD-OD1 3.37Å; K34-D56 WeakPolarHBondContact CD-OD2 3.34Å; K34-D56 IonicContact NZ-OD1 3.09Å; K34-D56 PolarHBondContact NZ-OD1 3.42Å; K34-Y95 HydrophobicContact CB-CE1 3.94Å; K34-Y95 HydrophobicContact CG-CE1 4.12Å
35L98.9Very high96.8Very high0 Ų043.7 Ų43.70%023%0.231CC..EExtended strand (participates in β ladder)trans-112.1121.1174.4-59.9-169.9000109.4F6 L26 R27 T31 F55 D56 E57F6-L35 HydrophobicContact CB-CD2 3.84Å; F6-L35 HydrophobicContact CD2-CD2 4.07Å; F6-L35 HydrophobicContact CG-CD2 4.36Å; L26-L35 HydrophobicContact CB-CD1 4.33Å; L26-L35 HydrophobicContact CB-CD2 4.1Å; L26-L35 HydrophobicContact CD1-CD2 3.7Å; L26-L35 HydrophobicContact CG-CD2 4.46Å; R27-L35 HydrophobicContact CG-CD1 3.83Å; T31-L35 HydrophobicContact CG2-CD2 4.12Å; L35-F55 HydrophobicContact CB-CB 4.44Å; L35-F55 HydrophobicContact CB-CD1 3.63Å; L35-F55 HydrophobicContact CB-CE1 4.19Å; L35-F55 HydrophobicContact CB-CG 4.3Å; L35-D56 PolarHBondContact N-OD2 3.07Å; L35-D56 PolarHBondContact O-N 3.28Å; L35-E57 PolarHBondContact O-N 3.46Å; L35-E57 VanDerWaalsContact O-N 3.13Å
36V98.8Very high96.7Very high0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-117.9136.3178.1-175.30000109.2A5 F6 V7 T8 E57 L92 Y95A5-V36 HydrophobicContact CB-CG2 3.8Å; F6-V36 PolarHBondContact O-N 2.64Å; V7-V36 WeakPolarHBondContact CA-O 3.27Å; V7-V36 HydrophobicContact CG1-CB 4.49Å; V7-V36 HydrophobicContact CG2-CB 4.22Å; T8-V36 PolarHBondContact N-O 2.84Å; V36-E57 WeakPolarHBondContact CA-O 3.44Å; V36-E57 HydrophobicContact CB-CB 4.5Å; V36-E57 HydrophobicContact CG1-CB 4.24Å; V36-E57 HydrophobicContact CG1-CG 4.4Å; V36-E57 HydrophobicContact CG2-CB 4.12Å; V36-L92 HydrophobicContact CG1-CD1 3.98Å; V36-L92 HydrophobicContact CG1-CD2 4.5Å; V36-Y95 HydrophobicContact CG2-CD2 4.5Å; V36-Y95 HydrophobicContact CG2-CE2 3.52Å; V36-Y95 WeakPolarHBondContact CG2-OH 3.18Å
37V98.8Very high96.6Very high0 Ų044.9 Ų44.90%024%0.239CC..EExtended strand (participates in β ladder)trans-123.4125.916856.80000110.1T8 A10 A19 V39 L51 F55 E57 V58 K59T8-V37 HydrophobicContact CG2-CB 3.83Å; T8-V37 HydrophobicContact CG2-CG2 3.8Å; T8-V37 WeakPolarHBondContact O-CA 3.46Å; A10-V37 HydrophobicContact CB-CG2 4.45Å; A19-V37 HydrophobicContact CB-CG2 4.37Å; V37-V39 HydrophobicContact CG1-CG1 4.38Å; V37-V39 HydrophobicContact CG2-CG1 3.86Å; V37-L51 HydrophobicContact CG1-CB 4.2Å; V37-L51 HydrophobicContact CG1-CD1 4.41Å; V37-L51 HydrophobicContact CG1-CD2 4.32Å; V37-L51 HydrophobicContact CG2-CD1 4.37Å; V37-L51 HydrophobicContact CG2-CD2 4.45Å; V37-F55 HydrophobicContact CB-CD1 3.76Å; V37-F55 HydrophobicContact CB-CD2 4.28Å; V37-F55 HydrophobicContact CB-CE1 3.86Å; V37-F55 HydrophobicContact CB-CE2 4.36Å; V37-F55 HydrophobicContact CB-CG 4Å; V37-F55 HydrophobicContact CB-CZ 4.16Å; V37-F55 HydrophobicContact CG1-CB 3.93Å; V37-F55 HydrophobicContact CG1-CD1 3.86Å; V37-F55 HydrophobicContact CG1-CD2 3.81Å; V37-F55 HydrophobicContact CG1-CE1 4.36Å; V37-F55 HydrophobicContact CG1-CE2 4.31Å; V37-F55 HydrophobicContact CG1-CG 3.57Å; V37-E57 PolarHBondContact N-O 3.18Å; V37-V58 HydrophobicContact CG1-CB 4.16Å; V37-V58 HydrophobicContact CG1-CG1 4.1Å; V37-V58 HydrophobicContact CG1-CG2 3.69Å; V37-V58 WeakPolarHBondContact O-CA 3.36Å; V37-K59 PolarHBondContact O-N 2.74Å
38L98.2Very high96.5Very high0 Ų042.3 Ų42.30%023%0.23CC..EExtended strand (participates in β ladder)trans-81.9129.8165.8-54.2-176.5000107.8V7 T8 L9 A10 K59 V61 H88 C89 L92V7-L38 HydrophobicContact CG1-CD1 4.45Å; V7-L38 HydrophobicContact CG1-CG 4.24Å; T8-L38 PolarHBondContact O-N 2.76Å; L9-L38 CarbonylContact C-O 3.59Å; L9-L38 WeakPolarHBondContact CA-O 3.31Å; L9-L38 HydrophobicContact CD1-CB 3.79Å; A10-L38 PolarHBondContact N-O 2.84Å; L38-K59 CarbonylContact C-O 3Å; L38-K59 WeakPolarHBondContact CA-O 3.28Å; L38-K59 HydrophobicContact CD2-CB 3.96Å; L38-K59 HydrophobicContact CD2-CD 4.14Å; L38-K59 HydrophobicContact CD2-CG 4.36Å; L38-V61 HydrophobicContact CB-CG2 4.02Å; L38-V61 HydrophobicContact CD1-CG2 4.42Å; L38-V61 HydrophobicContact CD2-CG2 3.94Å; L38-V61 HydrophobicContact CG-CG2 4.34Å; L38-H88 HydrophobicContact CD1-CB 4.41Å; L38-C89 HydrophobicContact CD1-CB 4.05Å; L38-L92 HydrophobicContact CD2-CD1 4.4Å; L38-L92 HydrophobicContact CD2-CD2 4.35Å
39V96.3Very high96.5Very high0 Ų040.2 Ų40.20%022%0.222CC..EExtended strand (participates in β ladder)trans-121.5136.1179.4-610000111.1A10 V37 V43 L51 V58 K59 V60 V61A10-V39 WeakPolarHBondContact O-CA 3.43Å; V37-V39 HydrophobicContact CG1-CG1 4.38Å; V37-V39 HydrophobicContact CG2-CG1 3.86Å; V39-V43 HydrophobicContact CB-CB 4.46Å; V39-V43 HydrophobicContact CB-CG2 4.2Å; V39-L51 HydrophobicContact CG1-CD1 3.63Å; V39-V58 HydrophobicContact CG1-CG1 3.94Å; V39-V58 HydrophobicContact CG2-CG1 3.96Å; V39-K59 PolarHBondContact N-O 3.27Å; V39-V60 HydrophobicContact CG2-CB 4.15Å; V39-V60 HydrophobicContact CG2-CG2 3.69Å; V39-V60 CarbonylContact O-C 3.58Å; V39-V60 WeakPolarHBondContact O-CA 3.38Å; V39-V61 PolarHBondContact O-N 3.17Å
40G91.6Very high96.5Very high1 Ų137.4 Ų37.41%0.0121%0.209CC..  trans-73.3154.7169.500000111.7A10 Q42 V43A10-G40 PolarHBondContact O-N 2.57Å; G40-Q42 VanDerWaalsContact CA-OE1 3.3Å; G40-Q42 PolarHBondContact O-N 3.13Å; G40-V43 WeakPolarHBondContact O-CG2 3.31Å; G40-V43 PolarHBondContact O-N 3.45Å; G40-V43 VanDerWaalsContact O-N 3.09Å
41P88.4Confident96.5Very high71 Ų7131 Ų3146%0.46118%0.175SC..THydrogen-bonded Turntrans-58.2-21.5179.623.7-35.3000114.4V43P41-V43 VanDerWaalsContact C-N 3.34Å
42Q89.4Confident96.5Very high112 Ų11236.2 Ų36.252%0.52320%0.196SC..THydrogen-bonded Turntrans-79.3-8.3179.365.5-88.944.400114.7T11 N12 G40 S44T11-Q42 WeakPolarHBondContact O-CG 3.29Å; T11-Q42 PolarHBondContact O-NE2 3.08Å; N12-Q42 HydrophobicContact CB-CG 4.48Å; G40-Q42 VanDerWaalsContact CA-OE1 3.3Å; G40-Q42 PolarHBondContact O-N 3.13Å; Q42-S44 PolarHBondContact O-N 3.37Å
43V94.6Very high96.5Very high3 Ų337.2 Ų37.22%0.01820%0.195CC..SBendtrans-72.1126.7176.1-179.70000109.2A10 D13 A16 V39 G40 P41 C47 Q48A10-V43 WeakPolarHBondContact O-CG2 3.31Å; D13-V43 WeakPolarHBondContact OD1-CA 3.33Å; A16-V43 HydrophobicContact CB-CG1 4.1Å; V39-V43 HydrophobicContact CB-CB 4.46Å; V39-V43 HydrophobicContact CB-CG2 4.2Å; G40-V43 WeakPolarHBondContact O-CG2 3.31Å; G40-V43 PolarHBondContact O-N 3.45Å; G40-V43 VanDerWaalsContact O-N 3.09Å; P41-V43 VanDerWaalsContact C-N 3.34Å; V43-C47 HydrophobicContact CG1-CB 3.73Å; V43-Q48 HydrophobicContact CB-CG 4.26Å; V43-Q48 HydrophobicContact CG1-CG 3.87Å; V43-Q48 PolarHBondContact O-NE2 2.94Å
44S95.5Very high96.5Very high33 Ų3335.8 Ų35.823%0.23119%0.189CC..  trans-67153.4-174.670.20000113D13 Q42 C47 Q48 Y264D13-S44 VanDerWaalsContact CG-OG 3.29Å; D13-S44 PolarHBondContact OD1-N 3.19Å; D13-S44 PolarHBondContact OD1-OG 3.45Å; D13-S44 WeakPolarHBondContact OD2-CB 3.39Å; D13-S44 PolarHBondContact OD2-OG 3.26Å; Q42-S44 PolarHBondContact O-N 3.37Å; S44-C47 PolarHBondContact O-N 2.93Å; S44-C47 VanDerWaalsContact O-N 3.1Å; S44-Q48 WeakPolarHBondContact O-CG 3.49Å; S44-Q48 PolarHBondContact O-N 3.35Å; S44-Y264 PolarHBondContact OG-OH 3.48Å
45N96.1Very high96.5Very high124 Ų12432.8 Ų32.866%0.66318%0.176SC*.Hα-helixtrans-55-44.1179-69.6-23.3000113.4C47 Q48 S49N45-C47 VanDerWaalsContact C-N 3.34Å; N45-C47 PolarHBondContact O-N 3.28Å; N45-Q48 PolarHBondContact O-N 2.8Å; N45-S49 PolarHBondContact O-N 3.45Å; N45-S49 PolarHBondContact O-OG 2.93Å
46P96.7Very high96.5Very high28 Ų2836.1 Ų36.118%0.18219%0.194CC..Hα-helixtrans-58.2-44174.9-26.436.6000112.8S49 V50 Q263 Y264P46-S49 PolarHBondContact O-N 2.99Å; P46-V50 PolarHBondContact O-N 3.3Å; P46-V50 VanDerWaalsContact O-N 3.08Å; P46-Q263 HydrophobicContact CB-CB 3.96Å; P46-Y264 HydrophobicContact CB-CD1 4.46Å; P46-Y264 HydrophobicContact CB-CD2 3.64Å; P46-Y264 HydrophobicContact CB-CE1 4.24Å; P46-Y264 HydrophobicContact CB-CE2 3.37Å; P46-Y264 HydrophobicContact CB-CG 4.19Å; P46-Y264 HydrophobicContact CG-CD1 4.26Å; P46-Y264 HydrophobicContact CG-CD2 4.3Å; P46-Y264 HydrophobicContact CG-CE1 4.02Å; P46-Y264 HydrophobicContact CG-CE2 4.07Å; P46-Y264 HydrophobicContact CG-CG 4.4Å
47C97.1Very high96.5Very high4 Ų438.4 Ų38.43%0.02721%0.205CC..Hα-helixtrans-63.9-44176.2-740000111.9A16 M20 V43 S44 N45 S49 V50 L51A16-C47 HydrophobicContact CB-CB 4.09Å; M20-C47 HydrophobicContact CE-CB 3.88Å; M20-C47 VanDerWaalsContact CE-O 3.28Å; M20-C47 WeakPolarHBondContact CE-O 3.43Å; V43-C47 HydrophobicContact CG1-CB 3.73Å; S44-C47 PolarHBondContact O-N 2.93Å; S44-C47 VanDerWaalsContact O-N 3.1Å; N45-C47 VanDerWaalsContact C-N 3.34Å; N45-C47 PolarHBondContact O-N 3.28Å; C47-S49 VanDerWaalsContact C-N 3.32Å; C47-S49 PolarHBondContact O-N 3.24Å; C47-V50 PolarHBondContact O-N 2.95Å; C47-L51 VanDerWaalsContact O-CG 3.32Å; C47-L51 WeakPolarHBondContact O-CG 3.16Å; C47-L51 PolarHBondContact O-N 3.12Å
48Q97.7Very high96.4Very high24 Ų2440 Ų4011%0.11221%0.214CC..Hα-helixtrans-60.9-39.2175.5-68-173.441.200112.3V43 S44 N45 L51 K52V43-Q48 HydrophobicContact CB-CG 4.26Å; V43-Q48 HydrophobicContact CG1-CG 3.87Å; V43-Q48 PolarHBondContact O-NE2 2.94Å; S44-Q48 WeakPolarHBondContact O-CG 3.49Å; S44-Q48 PolarHBondContact O-N 3.35Å; N45-Q48 PolarHBondContact O-N 2.8Å; Q48-L51 PolarHBondContact O-N 3.45Å; Q48-K52 VanDerWaalsContact O-CG 3.32Å; Q48-K52 WeakPolarHBondContact O-CG 3.42Å; Q48-K52 PolarHBondContact O-N 3.2Å
49S98Very high96.3Very high38 Ų3843.3 Ų43.327%0.26623%0.228SC..Hα-helixtrans-63.4-45.2176.3-67.40000112N45 P46 C47 L51 K52 N53 Q263N45-S49 PolarHBondContact O-N 3.45Å; N45-S49 PolarHBondContact O-OG 2.93Å; P46-S49 PolarHBondContact O-N 2.99Å; C47-S49 VanDerWaalsContact C-N 3.32Å; C47-S49 PolarHBondContact O-N 3.24Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 2.8Å; S49-K52 PolarHBondContact O-N 2.93Å; S49-N53 PolarHBondContact O-N 2.85Å; S49-N53 VanDerWaalsContact O-N 3.17Å; S49-Q263 PolarHBondContact OG-OE1 3.25Å
50V98.4Very high96.2Very high0 Ų047 Ų470%025%0.251CS..Hα-helixtrans-63.9-39.8175.3176.80000111.2M20 P46 C47 K52 N53 I54 M259 L260 Q263M20-V50 HydrophobicContact CE-CB 3.85Å; M20-V50 HydrophobicContact CE-CG1 3.99Å; M20-V50 HydrophobicContact CG-CG1 3.98Å; M20-V50 HydrophobicContact SD-CB 4.14Å; M20-V50 HydrophobicContact SD-CG1 3.61Å; P46-V50 PolarHBondContact O-N 3.3Å; P46-V50 VanDerWaalsContact O-N 3.08Å; C47-V50 PolarHBondContact O-N 2.95Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 2.9Å; V50-N53 WeakPolarHBondContact O-CB 3.42Å; V50-N53 PolarHBondContact O-N 3.34Å; V50-N53 VanDerWaalsContact O-N 3.13Å; V50-I54 HydrophobicContact CG1-CD1 3.83Å; V50-I54 WeakPolarHBondContact O-CG1 3.47Å; V50-I54 PolarHBondContact O-N 3.03Å; V50-M259 HydrophobicContact CG1-CB 3.83Å; V50-M259 HydrophobicContact CG1-SD 4.2Å; V50-M259 HydrophobicContact CG2-CB 3.97Å; V50-M259 WeakPolarHBondContact CG2-O 3.23Å; V50-L260 HydrophobicContact CB-CD2 4.33Å; V50-L260 HydrophobicContact CG2-CD2 3.78Å; V50-L260 HydrophobicContact CG2-CG 4.16Å; V50-Q263 HydrophobicContact CG2-CB 4.27Å; V50-Q263 HydrophobicContact CG2-CG 3.58Å
51L98.6Very high96Very high0 Ų047.5 Ų47.50%025%0.253CS..Hα-helixtrans-60-42.6174.3-71.7171.2000111.5A16 A19 M20 V37 V39 C47 Q48 S49 N53 I54 F55 V58A16-L51 HydrophobicContact CB-CD1 4.26Å; A19-L51 HydrophobicContact CB-CD2 4.06Å; M20-L51 HydrophobicContact CE-CD2 4.24Å; M20-L51 HydrophobicContact CE-CG 3.92Å; M20-L51 HydrophobicContact CG-CD2 3.7Å; M20-L51 HydrophobicContact CG-CG 4.32Å; V37-L51 HydrophobicContact CG1-CB 4.2Å; V37-L51 HydrophobicContact CG1-CD1 4.41Å; V37-L51 HydrophobicContact CG1-CD2 4.32Å; V37-L51 HydrophobicContact CG2-CD1 4.37Å; V37-L51 HydrophobicContact CG2-CD2 4.45Å; V39-L51 HydrophobicContact CG1-CD1 3.63Å; C47-L51 VanDerWaalsContact O-CG 3.32Å; C47-L51 WeakPolarHBondContact O-CG 3.16Å; C47-L51 PolarHBondContact O-N 3.12Å; Q48-L51 PolarHBondContact O-N 3.45Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-L51 PolarHBondContact O-N 2.8Å; L51-N53 PolarHBondContact O-N 3.5Å; L51-I54 PolarHBondContact O-N 3.05Å; L51-F55 HydrophobicContact CB-CD2 4.41Å; L51-F55 HydrophobicContact CD2-CD2 3.87Å; L51-F55 HydrophobicContact CD2-CE2 3.61Å; L51-F55 WeakPolarHBondContact O-CB 3.43Å; L51-F55 WeakPolarHBondContact O-CD2 3.4Å; L51-F55 PolarHBondContact O-N 2.86Å; L51-V58 HydrophobicContact CB-CG2 4.09Å
52K98.5Very high95.5Very high125 Ų12546.7 Ų46.754%0.54325%0.245SC..Hα-helixtrans-63.1-24.4176-72.4170.2-175.3170.80113.4Q48 S49 V50 V58Q48-K52 VanDerWaalsContact O-CG 3.32Å; Q48-K52 WeakPolarHBondContact O-CG 3.42Å; Q48-K52 PolarHBondContact O-N 3.2Å; S49-K52 PolarHBondContact O-N 2.93Å; V50-K52 VanDerWaalsContact C-N 3.33Å; V50-K52 PolarHBondContact O-N 2.9Å; K52-V58 HydrophobicContact CB-CG2 4.27Å; K52-V58 HydrophobicContact CG-CB 3.98Å; K52-V58 HydrophobicContact CG-CG1 4.49Å; K52-V58 HydrophobicContact CG-CG2 3.6Å
53N98.1Very high94.5Very high103 Ų10341.8 Ų41.855%0.55122%0.223SC*.Hα-helixtrans-79.2-22.1174.5-67.8-12.2000113S49 V50 L51S49-N53 PolarHBondContact O-N 2.85Å; S49-N53 VanDerWaalsContact O-N 3.17Å; V50-N53 WeakPolarHBondContact O-CB 3.42Å; V50-N53 PolarHBondContact O-N 3.34Å; V50-N53 VanDerWaalsContact O-N 3.13Å; L51-N53 PolarHBondContact O-N 3.5Å
54I98.6Very high92.8Very high10 Ų1046.9 Ų46.95%0.05125%0.25CC..Hα-helixtrans-102.2-42.7-174.4-64.4166.3000111.5M20 K24 V50 L51 M259M20-I54 HydrophobicContact CB-CD1 3.78Å; M20-I54 HydrophobicContact CG-CD1 3.89Å; K24-I54 HydrophobicContact CD-CD1 4.36Å; K24-I54 HydrophobicContact CD-CG1 4.14Å; K24-I54 HydrophobicContact CD-CG2 4.4Å; K24-I54 HydrophobicContact CG-CD1 4.06Å; K24-I54 HydrophobicContact CG-CG1 4.35Å; K24-I54 HydrophobicContact CG-CG2 4.4Å; V50-I54 HydrophobicContact CG1-CD1 3.83Å; V50-I54 WeakPolarHBondContact O-CG1 3.47Å; V50-I54 PolarHBondContact O-N 3.03Å; L51-I54 PolarHBondContact O-N 3.05Å; I54-M259 HydrophobicContact CD1-SD 4.18Å; I54-M259 HydrophobicContact CG1-SD 4.2Å
55F98.8Very high90.8Very high12 Ų1251.6 Ų51.65%0.05327%0.272CS..  trans-94.1147-174.7-70.8-97000111.1T8 A19 L35 V37 L51 E57 V58T8-F55 HydrophobicContact CG2-CE1 3.58Å; T8-F55 HydrophobicContact CG2-CZ 3.68Å; A19-F55 HydrophobicContact CB-CZ 4.41Å; A19-F55 WeakPolarHBondContact O-CE2 3.37Å; A19-F55 VanDerWaalsContact O-CZ 3.22Å; A19-F55 WeakPolarHBondContact O-CZ 3.17Å; L35-F55 HydrophobicContact CB-CB 4.44Å; L35-F55 HydrophobicContact CB-CD1 3.63Å; L35-F55 HydrophobicContact CB-CE1 4.19Å; L35-F55 HydrophobicContact CB-CG 4.3Å; V37-F55 HydrophobicContact CB-CD1 3.76Å; V37-F55 HydrophobicContact CB-CD2 4.28Å; V37-F55 HydrophobicContact CB-CE1 3.86Å; V37-F55 HydrophobicContact CB-CE2 4.36Å; V37-F55 HydrophobicContact CB-CG 4Å; V37-F55 HydrophobicContact CB-CZ 4.16Å; V37-F55 HydrophobicContact CG1-CB 3.93Å; V37-F55 HydrophobicContact CG1-CD1 3.86Å; V37-F55 HydrophobicContact CG1-CD2 3.81Å; V37-F55 HydrophobicContact CG1-CE1 4.36Å; V37-F55 HydrophobicContact CG1-CE2 4.31Å; V37-F55 HydrophobicContact CG1-CG 3.57Å; L51-F55 HydrophobicContact CB-CD2 4.41Å; L51-F55 HydrophobicContact CD2-CD2 3.87Å; L51-F55 HydrophobicContact CD2-CE2 3.61Å; L51-F55 WeakPolarHBondContact O-CB 3.43Å; L51-F55 WeakPolarHBondContact O-CD2 3.4Å; L51-F55 PolarHBondContact O-N 2.86Å; F55-E57 VanDerWaalsContact C-N 3.3Å; F55-V58 HydrophobicContact CB-CG2 4.22Å
56D98.5Very high88.8Confident70 Ų7047.5 Ų47.537%0.37425%0.253SS..SBendtrans-70.2-31.7173.1-66.4-87.4000111.4R27 K34 L35R27-D56 IonicContact CZ-OD2 3.31Å; R27-D56 IonicContact NH1-OD2 2.65Å; R27-D56 VanDerWaalsContact NH2-CG 3.26Å; R27-D56 IonicContact NH2-OD1 3.09Å; R27-D56 IonicContact NH2-OD2 3.53Å; R27-D56 PolarHBondContact NH2-OD2 2.94Å; K34-D56 WeakPolarHBondContact CA-OD2 3.47Å; K34-D56 HydrophobicContact CD-CB 3.83Å; K34-D56 WeakPolarHBondContact CD-OD1 3.37Å; K34-D56 WeakPolarHBondContact CD-OD2 3.34Å; K34-D56 IonicContact NZ-OD1 3.09Å; K34-D56 PolarHBondContact NZ-OD1 3.42Å; L35-D56 PolarHBondContact N-OD2 3.07Å; L35-D56 PolarHBondContact O-N 3.28Å
57E98.1Very high86.5Confident49 Ų4949.6 Ų49.623%0.22928%0.28CS..EExtended strand (participates in β ladder)trans-140129-177.3-170.4-179.1155.700110.3L35 V36 V37 F55 H94 Y95L35-E57 PolarHBondContact O-N 3.46Å; L35-E57 VanDerWaalsContact O-N 3.13Å; V36-E57 WeakPolarHBondContact CA-O 3.44Å; V36-E57 HydrophobicContact CB-CB 4.5Å; V36-E57 HydrophobicContact CG1-CB 4.24Å; V36-E57 HydrophobicContact CG1-CG 4.4Å; V36-E57 HydrophobicContact CG2-CB 4.12Å; V37-E57 PolarHBondContact N-O 3.18Å; F55-E57 VanDerWaalsContact C-N 3.3Å; E57-H94 IonicContact OE1-CE1 3.9Å; E57-H94 IonicContact OE1-NE2 2.8Å; E57-H94 PolarHBondContact OE1-NE2 2.88Å; E57-H94 IonicContact OE2-CD2 3.99Å; E57-H94 IonicContact OE2-CE1 2.78Å; E57-H94 IonicContact OE2-NE2 3.89Å; E57-H94 PolarHBondContact OE2-NE2 3.26Å; E57-Y95 PolarHBondContact OE2-OH 2.83Å
58V98.2Very high84.8Confident32 Ų3254.7 Ų54.719%0.19431%0.307CS..EExtended strand (participates in β ladder)trans-118.6109.7173.3-179.30000107.6V37 V39 L51 K52 F55V37-V58 HydrophobicContact CG1-CB 4.16Å; V37-V58 HydrophobicContact CG1-CG1 4.1Å; V37-V58 HydrophobicContact CG1-CG2 3.69Å; V37-V58 WeakPolarHBondContact O-CA 3.36Å; V39-V58 HydrophobicContact CG1-CG1 3.94Å; V39-V58 HydrophobicContact CG2-CG1 3.96Å; L51-V58 HydrophobicContact CB-CG2 4.09Å; K52-V58 HydrophobicContact CB-CG2 4.27Å; K52-V58 HydrophobicContact CG-CB 3.98Å; K52-V58 HydrophobicContact CG-CG1 4.49Å; K52-V58 HydrophobicContact CG-CG2 3.6Å; F55-V58 HydrophobicContact CB-CG2 4.22Å
59K96.1Very high83Confident71 Ų7157.3 Ų57.331%0.30933%0.325SS..EExtended strand (participates in β ladder)trans-109.9114.6-176.2-174.8175-177.3176.90110V37 L38 V39 V61 T91 L92V37-K59 PolarHBondContact O-N 2.74Å; L38-K59 CarbonylContact C-O 3Å; L38-K59 WeakPolarHBondContact CA-O 3.28Å; L38-K59 HydrophobicContact CD2-CB 3.96Å; L38-K59 HydrophobicContact CD2-CD 4.14Å; L38-K59 HydrophobicContact CD2-CG 4.36Å; V39-K59 PolarHBondContact N-O 3.27Å; K59-V61 HydrophobicContact CG-CG2 4.41Å; K59-V61 PolarHBondContact O-N 2.75Å; K59-T91 PolarHBondContact NZ-OG1 3.03Å; K59-L92 HydrophobicContact CD-CD2 3.76Å
60V93.5Very high81.1Confident78 Ų7855.6 Ų55.647%0.47331%0.313SS..EExtended strand (participates in β ladder)trans-70127.8170.9-174.30000108.3V39V39-V60 HydrophobicContact CG2-CB 4.15Å; V39-V60 HydrophobicContact CG2-CG2 3.69Å; V39-V60 CarbonylContact O-C 3.58Å; V39-V60 WeakPolarHBondContact O-CA 3.38Å
61V87.6Confident79.3Confident10 Ų1057.7 Ų57.76%0.06132%0.323CS..  trans-118.3107.3176.8179.80000107.5L38 V39 K59 V63 T85 H88L38-V61 HydrophobicContact CB-CG2 4.02Å; L38-V61 HydrophobicContact CD1-CG2 4.42Å; L38-V61 HydrophobicContact CD2-CG2 3.94Å; L38-V61 HydrophobicContact CG-CG2 4.34Å; V39-V61 PolarHBondContact O-N 3.17Å; K59-V61 HydrophobicContact CG-CG2 4.41Å; K59-V61 PolarHBondContact O-N 2.75Å; V61-V63 HydrophobicContact CG1-CG2 4.3Å; V61-T85 HydrophobicContact CB-CG2 3.97Å; V61-T85 HydrophobicContact CG1-CG2 3.8Å; V61-H88 HydrophobicContact CG1-CB 3.89Å; V61-H88 WeakPolarHBondContact CG1-CD2 3.37Å; V61-H88 HydrophobicContact CG2-CB 4.34Å
62D77.6Confident77.4Confident54 Ų5462.8 Ų62.829%0.28935%0.35SS..  trans-103.2102.9172-166.5-19.3000109.4L64 D65 S66D62-L64 PolarHBondContact O-N 3.4Å; D62-L64 WeakPolarHBondContact OD1-CA 3.37Å; D62-L64 WeakPolarHBondContact OD1-CB 3.43Å; D62-L64 PolarHBondContact OD1-N 3.11Å; D62-D65 HydrophobicContact CB-CB 3.98Å; D62-D65 PolarHBondContact OD1-N 3.18Å; D62-D65 VanDerWaalsContact OD1-N 3.09Å; D62-S66 PolarHBondContact O-N 2.78Å; D62-S66 VanDerWaalsContact O-N 3.13Å
63V67.6Low75.7Confident9 Ų957 Ų576%0.05532%0.324CS..SBendtrans-68.3-29.3177.4-178.40000110.7V61 S66 M74 F84 T85V61-V63 HydrophobicContact CG1-CG2 4.3Å; V63-S66 PolarHBondContact O-OG 3.48Å; V63-M74 HydrophobicContact CG1-CB 4.21Å; V63-M74 HydrophobicContact CG1-CG 4.25Å; V63-M74 HydrophobicContact CG1-SD 3.91Å; V63-F84 HydrophobicContact CG1-CB 3.94Å; V63-F84 HydrophobicContact CG2-CB 4.39Å; V63-T85 HydrophobicContact CG2-CG2 4.34Å; V63-T85 VanDerWaalsContact CG2-OG1 3.27Å; V63-T85 WeakPolarHBondContact CG2-OG1 3.23Å
64L58.7Low74Confident111 Ų11153.5 Ų53.558%0.58131%0.305SS*.SBendtrans-75.4-35.2-179.4-61.2176.2000111.9D62 H71 M74D62-L64 PolarHBondContact O-N 3.4Å; D62-L64 WeakPolarHBondContact OD1-CA 3.37Å; D62-L64 WeakPolarHBondContact OD1-CB 3.43Å; D62-L64 PolarHBondContact OD1-N 3.11Å; L64-H71 PolarHBondContact O-CE1 3.48Å; L64-H71 PolarHBondContact O-ND1 2.94Å; L64-M74 HydrophobicContact CD2-CE 3.27Å; L64-M74 HydrophobicContact CD2-SD 3.61Å
65D53.8Low72.2Confident132 Ų13258.8 Ų58.871%0.70633%0.331SS*.SBendtrans-93.94.8177.5-161.726.4000113.2D62 G67D62-D65 HydrophobicContact CB-CB 3.98Å; D62-D65 PolarHBondContact OD1-N 3.18Å; D62-D65 VanDerWaalsContact OD1-N 3.09Å; D65-G67 PolarHBondContact O-N 3.26Å
66S54.8Low70.4Confident37 Ų3765 Ų6526%0.25936%0.359SS..  trans-62.9-16.7-177.263.20000113.8D62 V63 D68 H71D62-S66 PolarHBondContact O-N 2.78Å; D62-S66 VanDerWaalsContact O-N 3.13Å; V63-S66 PolarHBondContact O-OG 3.48Å; S66-D68 WeakPolarHBondContact O-CB 3.24Å; S66-D68 PolarHBondContact O-N 3.21Å; S66-H71 PolarHBondContact OG-N 3.35Å
67G49Very low69Low73 Ų7365 Ų6575%0.75335%0.353SS*.  trans63.97.4173.400000115.5D65D65-G67 PolarHBondContact O-N 3.26Å
68D59.6Low67.5Low110 Ų11067.3 Ų67.359%0.58837%0.373SS*.SBendtrans-133.9-166.7-160.2-128-10000113.7S66 A70 H71 L72S66-D68 WeakPolarHBondContact O-CB 3.24Å; S66-D68 PolarHBondContact O-N 3.21Å; D68-A70 PolarHBondContact O-N 3.04Å; D68-A70 VanDerWaalsContact O-N 3.14Å; D68-H71 WeakPolarHBondContact O-CB 3.5Å; D68-H71 PolarHBondContact O-N 3.4Å; D68-H71 VanDerWaalsContact O-N 3.07Å; D68-L72 PolarHBondContact O-N 3.2Å
69T60.2Low66.1Low79 Ų7970 Ų7049%0.48539%0.386SS..Hα-helixtrans-50.2-34.6176.1-42.70000113.7L72 A73T69-L72 PolarHBondContact O-N 2.89Å; T69-A73 VanDerWaalsContact O-CB 3.27Å; T69-A73 WeakPolarHBondContact O-CB 3.44Å; T69-A73 PolarHBondContact O-N 3.35Å
70A59.3Low64.9Low3 Ų366.7 Ų66.73%0.02537%0.372CS..Hα-helixtrans-66.7-42.7178.400000112.3D68 A73 M74 L150D68-A70 PolarHBondContact O-N 3.04Å; D68-A70 VanDerWaalsContact O-N 3.14Å; A70-A73 PolarHBondContact O-N 2.81Å; A70-M74 VanDerWaalsContact O-CB 3.31Å; A70-M74 WeakPolarHBondContact O-CB 3.45Å; A70-M74 PolarHBondContact O-N 3.02Å; A70-L150 HydrophobicContact CB-CD1 3.81Å; A70-L150 HydrophobicContact CB-CD2 4.19Å
71H60.2Low64.1Low43 Ų4364 Ų6420%0.19936%0.359CS..Hα-helixtrans-62.3-44.8174.5-176.477.3000111.5L64 S66 D68 M74 M75L64-H71 PolarHBondContact O-CE1 3.48Å; L64-H71 PolarHBondContact O-ND1 2.94Å; S66-H71 PolarHBondContact OG-N 3.35Å; D68-H71 WeakPolarHBondContact O-CB 3.5Å; D68-H71 PolarHBondContact O-N 3.4Å; D68-H71 VanDerWaalsContact O-N 3.07Å; H71-M74 PolarHBondContact O-N 2.83Å; H71-M75 WeakPolarHBondContact NE2-CE 3.22Å; H71-M75 WeakPolarHBondContact O-CG 3.44Å; H71-M75 PolarHBondContact O-N 3.31Å
72L59.3Low63.8Low108 Ų10867.4 Ų67.457%0.56538%0.38SS*.Hα-helixtrans-64.4-41176.6-70.8171.9000112.5D68 T69 M74 M75 K76D68-L72 PolarHBondContact O-N 3.2Å; T69-L72 PolarHBondContact O-N 2.89Å; L72-M74 VanDerWaalsContact C-N 3.35Å; L72-M75 PolarHBondContact O-N 3.04Å; L72-K76 PolarHBondContact O-N 2.83Å
73A63Low64.1Low2 Ų265 Ų652%0.01737%0.368CS..Hα-helixtrans-63.4-42.6174.700000111T69 A70 K76 R77 F84 T154T69-A73 VanDerWaalsContact O-CB 3.27Å; T69-A73 WeakPolarHBondContact O-CB 3.44Å; T69-A73 PolarHBondContact O-N 3.35Å; A70-A73 PolarHBondContact O-N 2.81Å; A73-K76 WeakPolarHBondContact O-CB 3.37Å; A73-K76 PolarHBondContact O-N 2.85Å; A73-R77 PolarHBondContact O-N 2.83Å; A73-F84 HydrophobicContact CB-CE1 3.61Å; A73-F84 HydrophobicContact CB-CZ 3.65Å; A73-T154 VanDerWaalsContact CB-OG1 3.29Å; A73-T154 WeakPolarHBondContact CB-OG1 3.41Å
74M61.6Low65Low30 Ų3064.6 Ų64.615%0.14837%0.365CS..Hα-helixtrans-65.9-38.4176.4-163.2-147.271.600112.4V63 L64 A70 H71 L72 K76 R77 P78 F84V63-M74 HydrophobicContact CG1-CB 4.21Å; V63-M74 HydrophobicContact CG1-CG 4.25Å; V63-M74 HydrophobicContact CG1-SD 3.91Å; L64-M74 HydrophobicContact CD2-CE 3.27Å; L64-M74 HydrophobicContact CD2-SD 3.61Å; A70-M74 VanDerWaalsContact O-CB 3.31Å; A70-M74 WeakPolarHBondContact O-CB 3.45Å; A70-M74 PolarHBondContact O-N 3.02Å; H71-M74 PolarHBondContact O-N 2.83Å; L72-M74 VanDerWaalsContact C-N 3.35Å; M74-K76 VanDerWaalsContact C-N 3.26Å; M74-K76 PolarHBondContact O-N 3.2Å; M74-R77 CarbonylContact O-C 3.53Å; M74-R77 PolarHBondContact O-N 3.13Å; M74-P78 WeakPolarHBondContact O-CA 3.49Å; M74-F84 HydrophobicContact CB-CD2 3.83Å; M74-F84 HydrophobicContact CB-CE2 3.97Å; M74-F84 HydrophobicContact CG-CD2 3.84Å; M74-F84 HydrophobicContact CG-CE2 4.21Å
75M59.8Low66.4Low121 Ų12160 Ų6060%0.59634%0.341SS*.Hα-helixtrans-60.9-35.7173.2-79.6-175.8161.600112.4H71 L72 R77H71-M75 WeakPolarHBondContact NE2-CE 3.22Å; H71-M75 WeakPolarHBondContact O-CG 3.44Å; H71-M75 PolarHBondContact O-N 3.31Å; L72-M75 PolarHBondContact O-N 3.04Å; M75-R77 VanDerWaalsContact C-N 3.35Å
76K62.9Low68.4Low144 Ų14453.8 Ų53.863%0.62631%0.308SS*.Hα-helixtrans-73-28.6173.9-70.2177.2176.8-176.80112.5L72 A73 M74 T154L72-K76 PolarHBondContact O-N 2.83Å; A73-K76 WeakPolarHBondContact O-CB 3.37Å; A73-K76 PolarHBondContact O-N 2.85Å; M74-K76 VanDerWaalsContact C-N 3.26Å; M74-K76 PolarHBondContact O-N 3.2Å; K76-T154 HydrophobicContact CD-CG2 3.59Å
77R68.4Low70.3Confident69 Ų6952 Ų5226%0.2630%0.296SS..  trans-13970.5-173.2-66.1-59.6-61.5-98.2-1.8112.2A73 M74 M75 D79 L80 F84A73-R77 PolarHBondContact O-N 2.83Å; M74-R77 CarbonylContact O-C 3.53Å; M74-R77 PolarHBondContact O-N 3.13Å; M75-R77 VanDerWaalsContact C-N 3.35Å; R77-D79 VanDerWaalsContact C-OD1 3.25Å; R77-D79 WeakPolarHBondContact CA-OD1 3.5Å; R77-D79 IonicContact CZ-OD1 3.9Å; R77-D79 IonicContact CZ-OD2 3.52Å; R77-D79 IonicContact NE-OD1 3.01Å; R77-D79 PolarHBondContact NE-OD1 2.96Å; R77-D79 IonicContact NE-OD2 3.39Å; R77-D79 PolarHBondContact NE-OD2 2.91Å; R77-D79 IonicContact NH2-OD1 3.51Å; R77-D79 IonicContact NH2-OD2 3.45Å; R77-D79 PolarHBondContact NH2-OD2 3.17Å; R77-D79 PolarHBondContact O-N 2.85Å; R77-L80 HydrophobicContact CB-CB 4.49Å; R77-L80 HydrophobicContact CB-CD1 4.02Å; R77-L80 HydrophobicContact CB-CG 4.23Å; R77-L80 HydrophobicContact CG-CD1 4.43Å; R77-L80 PolarHBondContact O-N 3.25Å; R77-L80 VanDerWaalsContact O-N 3.1Å; R77-F84 HydrophobicContact CB-CE2 4.37Å
78P67.2Low72.5Confident98 Ų9849.7 Ų49.764%0.63627%0.265SS*.G310 helixtrans-65.6-20.3-177.426.5-34.9000112.8M74 L80 G81M74-P78 WeakPolarHBondContact O-CA 3.49Å; P78-L80 PolarHBondContact O-N 3.25Å; P78-G81 PolarHBondContact O-N 3Å
79D67.6Low74.3Confident89 Ų8944.5 Ų44.548%0.47624%0.237SC..G310 helixtrans-61.3-24.6173.656.3-55.1000113.3R77R77-D79 VanDerWaalsContact C-OD1 3.25Å; R77-D79 WeakPolarHBondContact CA-OD1 3.5Å; R77-D79 IonicContact CZ-OD1 3.9Å; R77-D79 IonicContact CZ-OD2 3.52Å; R77-D79 IonicContact NE-OD1 3.01Å; R77-D79 PolarHBondContact NE-OD1 2.96Å; R77-D79 IonicContact NE-OD2 3.39Å; R77-D79 PolarHBondContact NE-OD2 2.91Å; R77-D79 IonicContact NH2-OD1 3.51Å; R77-D79 IonicContact NH2-OD2 3.45Å; R77-D79 PolarHBondContact NH2-OD2 3.17Å; R77-D79 PolarHBondContact O-N 2.85Å
80L72.2Confident76.1Confident1 Ų140.7 Ų40.71%0.00521%0.214CC..G310 helixtrans-98.818.2-174.8-59.3-178.7000113.7R77 P78 V82 T83 F84 G161R77-L80 HydrophobicContact CB-CB 4.49Å; R77-L80 HydrophobicContact CB-CD1 4.02Å; R77-L80 HydrophobicContact CB-CG 4.23Å; R77-L80 HydrophobicContact CG-CD1 4.43Å; R77-L80 PolarHBondContact O-N 3.25Å; R77-L80 VanDerWaalsContact O-N 3.1Å; P78-L80 PolarHBondContact O-N 3.25Å; L80-V82 PolarHBondContact O-N 3.06Å; L80-T83 WeakPolarHBondContact O-CA 3.37Å; L80-T83 VanDerWaalsContact O-CB 3.24Å; L80-T83 WeakPolarHBondContact O-CB 3.48Å; L80-T83 PolarHBondContact O-N 3.23Å; L80-F84 HydrophobicContact CB-CD2 3.97Å; L80-F84 HydrophobicContact CB-CE2 3.63Å; L80-F84 HydrophobicContact CB-CZ 4.35Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-F84 PolarHBondContact O-N 2.91Å; L80-G161 VanDerWaalsContact CD2-O 3.26Å; L80-G161 WeakPolarHBondContact CD2-O 3.32Å
81G76.2Confident77.9Confident21 Ų2142.1 Ų42.122%0.21622%0.222CC..Hα-helixtrans-51.9-47.7-172.400000114.6P78 F84 T85P78-G81 PolarHBondContact O-N 3Å; G81-F84 PolarHBondContact O-N 3.4Å; G81-T85 PolarHBondContact O-N 3.5Å; G81-T85 PolarHBondContact O-OG1 2.86Å
82V81.4Confident79.7Confident81 Ų8140 Ų4049%0.49121%0.213SC..Hα-helixtrans-68.1-37178.1177.90000111.8L9 T11 L80 F84 T85 K86L9-V82 HydrophobicContact CD2-CG1 4.33Å; T11-V82 HydrophobicContact CG2-CG1 4.27Å; L80-V82 PolarHBondContact O-N 3.06Å; V82-F84 PolarHBondContact O-N 3Å; V82-T85 WeakPolarHBondContact O-CB 3.44Å; V82-T85 PolarHBondContact O-N 2.65Å; V82-K86 PolarHBondContact O-N 3.41Å
83T83.8Confident81.5Confident5 Ų538.9 Ų38.93%0.03121%0.21CC..Hα-helixtrans-57.5-48.7175.1-57.90000110.6L80 T85 K86 L87 G162 D163 V166L80-T83 WeakPolarHBondContact O-CA 3.37Å; L80-T83 VanDerWaalsContact O-CB 3.24Å; L80-T83 WeakPolarHBondContact O-CB 3.48Å; L80-T83 PolarHBondContact O-N 3.23Å; T83-T85 VanDerWaalsContact C-N 3.31Å; T83-T85 PolarHBondContact O-N 3.21Å; T83-K86 WeakPolarHBondContact O-CB 3.4Å; T83-K86 PolarHBondContact O-N 2.96Å; T83-K86 VanDerWaalsContact O-N 3.07Å; T83-L87 HydrophobicContact CG2-CD1 4.42Å; T83-L87 HydrophobicContact CG2-CG 4.48Å; T83-L87 WeakPolarHBondContact O-CG 2.92Å; T83-L87 PolarHBondContact O-N 3.2Å; T83-G162 VanDerWaalsContact OG1-C 3.23Å; T83-D163 HydrophobicContact CG2-CB 3.78Å; T83-D163 PolarHBondContact OG1-N 3Å; T83-D163 VanDerWaalsContact OG1-N 3.16Å; T83-V166 HydrophobicContact CG2-CB 4.48Å; T83-V166 HydrophobicContact CG2-CG2 3.92Å
84F85.8Confident83.1Confident0 Ų043.8 Ų43.80%023%0.233CC..Hα-helixtrans-58.9-42.1176.9-71.1-62.1000112.3V63 A73 M74 R77 L80 G81 V82 K86 L87 H88 L150 C153V63-F84 HydrophobicContact CG1-CB 3.94Å; V63-F84 HydrophobicContact CG2-CB 4.39Å; A73-F84 HydrophobicContact CB-CE1 3.61Å; A73-F84 HydrophobicContact CB-CZ 3.65Å; M74-F84 HydrophobicContact CB-CD2 3.83Å; M74-F84 HydrophobicContact CB-CE2 3.97Å; M74-F84 HydrophobicContact CG-CD2 3.84Å; M74-F84 HydrophobicContact CG-CE2 4.21Å; R77-F84 HydrophobicContact CB-CE2 4.37Å; L80-F84 HydrophobicContact CB-CD2 3.97Å; L80-F84 HydrophobicContact CB-CE2 3.63Å; L80-F84 HydrophobicContact CB-CZ 4.35Å; L80-F84 WeakPolarHBondContact O-CD2 3.45Å; L80-F84 PolarHBondContact O-N 2.91Å; G81-F84 PolarHBondContact O-N 3.4Å; V82-F84 PolarHBondContact O-N 3Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.37Å; F84-L87 HydrophobicContact CD1-CD1 4.46Å; F84-L87 PolarHBondContact O-N 2.75Å; F84-H88 PolarHBondContact O-CD2 3.32Å; F84-H88 PolarHBondContact O-N 2.82Å; F84-L150 HydrophobicContact CD1-CD2 3.53Å; F84-L150 HydrophobicContact CE1-CD2 3.85Å; F84-C153 HydrophobicContact CE1-CB 3.6Å; F84-C153 HydrophobicContact CZ-CB 3.81Å
85T88.7Confident84.8Confident13 Ų1343.3 Ų43.38%0.0823%0.229CC..Hα-helixtrans-60.6-38.5175.3-43.80000112.2L9 T11 V61 V63 G81 V82 T83 H88L9-T85 HydrophobicContact CD1-CG2 3.57Å; L9-T85 HydrophobicContact CD2-CG2 4.36Å; T11-T85 HydrophobicContact CG2-CG2 4.4Å; V61-T85 HydrophobicContact CB-CG2 3.97Å; V61-T85 HydrophobicContact CG1-CG2 3.8Å; V63-T85 HydrophobicContact CG2-CG2 4.34Å; V63-T85 VanDerWaalsContact CG2-OG1 3.27Å; V63-T85 WeakPolarHBondContact CG2-OG1 3.23Å; G81-T85 PolarHBondContact O-N 3.5Å; G81-T85 PolarHBondContact O-OG1 2.86Å; V82-T85 WeakPolarHBondContact O-CB 3.44Å; V82-T85 PolarHBondContact O-N 2.65Å; T83-T85 VanDerWaalsContact C-N 3.31Å; T83-T85 PolarHBondContact O-N 3.21Å; T85-H88 WeakPolarHBondContact O-CB 3.41Å; T85-H88 PolarHBondContact O-N 2.96Å
86K95.3Very high86.6Confident3 Ų340.2 Ų40.21%0.01322%0.219CC..Hα-helixtrans-66.8-42.6177.4-177.7160.9169.6172.30112L9 V82 T83 F84 H88 C89 F100 D102 S134 D163L9-K86 HydrophobicContact CD2-CB 3.82Å; V82-K86 PolarHBondContact O-N 3.41Å; T83-K86 WeakPolarHBondContact O-CB 3.4Å; T83-K86 PolarHBondContact O-N 2.96Å; T83-K86 VanDerWaalsContact O-N 3.07Å; F84-K86 VanDerWaalsContact C-N 3.29Å; F84-K86 PolarHBondContact O-N 3.37Å; K86-H88 PolarHBondContact O-N 2.78Å; K86-H88 VanDerWaalsContact O-N 3.12Å; K86-C89 WeakPolarHBondContact O-CB 3.4Å; K86-C89 PolarHBondContact O-N 3.41Å; K86-C89 PolarHBondContact O-SG 2.92Å; K86-F100 HydrophobicContact CD-CE1 3.88Å; K86-F100 HydrophobicContact CD-CE2 4.36Å; K86-F100 HydrophobicContact CD-CZ 3.68Å; K86-F100 HydrophobicContact CG-CE1 4.27Å; K86-F100 HydrophobicContact CG-CE2 3.85Å; K86-F100 HydrophobicContact CG-CZ 3.66Å; K86-D102 IonicContact NZ-OD1 2.68Å; K86-D102 PolarHBondContact NZ-OD1 3.48Å; K86-D102 IonicContact NZ-OD2 2.63Å; K86-D102 PolarHBondContact NZ-OD2 2.96Å; K86-S134 PolarHBondContact NZ-O 3.31Å; K86-D163 HydrophobicContact CD-CB 4Å; K86-D163 WeakPolarHBondContact CE-OD2 3.48Å; K86-D163 IonicContact NZ-OD1 3.56Å; K86-D163 IonicContact NZ-OD2 3.61Å; K86-D163 PolarHBondContact NZ-OD2 3.23Å
87L95.6Very high88.3Confident0 Ų034 Ų340%019%0.193CC..Hα-helixtrans-60.1-24.1-179.9-63.8179.7000113.2T83 F84 C89 W90 H146 L149 L150 L167T83-L87 HydrophobicContact CG2-CD1 4.42Å; T83-L87 HydrophobicContact CG2-CG 4.48Å; T83-L87 WeakPolarHBondContact O-CG 2.92Å; T83-L87 PolarHBondContact O-N 3.2Å; F84-L87 HydrophobicContact CD1-CD1 4.46Å; F84-L87 PolarHBondContact O-N 2.75Å; L87-C89 PolarHBondContact O-N 3.17Å; L87-W90 HydrophobicContact CD2-CE3 4.4Å; L87-W90 HydrophobicContact CD2-CZ3 4.06Å; L87-W90 PolarHBondContact O-N 2.95Å; L87-H146 PolarHBondContact O-CD2 2.86Å; L87-H146 VanDerWaalsContact O-CD2 3.23Å; L87-L149 HydrophobicContact CD1-CB 4.17Å; L87-L149 HydrophobicContact CD2-CB 4.35Å; L87-L149 HydrophobicContact CD2-CD1 4.17Å; L87-L149 HydrophobicContact CD2-CD2 4.38Å; L87-L150 HydrophobicContact CD1-CD2 4.21Å; L87-L167 HydrophobicContact CD2-CD2 4.05Å
88H94.8Very high89.8Confident24 Ų2430.8 Ų30.811%0.11118%0.18CC..G310 helixtrans-59.5-13.2173.1-78.8-77.5000114L38 V61 F84 T85 K86 W90 T91 H146L38-H88 HydrophobicContact CD1-CB 4.41Å; V61-H88 HydrophobicContact CG1-CB 3.89Å; V61-H88 WeakPolarHBondContact CG1-CD2 3.37Å; V61-H88 HydrophobicContact CG2-CB 4.34Å; F84-H88 PolarHBondContact O-CD2 3.32Å; F84-H88 PolarHBondContact O-N 2.82Å; T85-H88 WeakPolarHBondContact O-CB 3.41Å; T85-H88 PolarHBondContact O-N 2.96Å; K86-H88 PolarHBondContact O-N 2.78Å; K86-H88 VanDerWaalsContact O-N 3.12Å; H88-W90 PolarHBondContact O-N 2.99Å; H88-T91 WeakPolarHBondContact O-CB 3.21Å; H88-T91 PolarHBondContact O-N 2.88Å; H88-T91 PolarHBondContact O-OG1 3.16Å; H88-H146 AromaticContact ND1-NE2 3.84Å
89C97.7Very high91.3Very high0 Ų026.1 Ų26.10%015%0.15CC..G310 helixtrans-57.9-30.4171.372.50000112.5V7 L38 K86 L87 T91 L92 F100 F139V7-C89 HydrophobicContact CG1-CB 4.04Å; L38-C89 HydrophobicContact CD1-CB 4.05Å; K86-C89 WeakPolarHBondContact O-CB 3.4Å; K86-C89 PolarHBondContact O-N 3.41Å; K86-C89 PolarHBondContact O-SG 2.92Å; L87-C89 PolarHBondContact O-N 3.17Å; C89-T91 PolarHBondContact O-N 3.07Å; C89-L92 WeakPolarHBondContact O-CG 3.21Å; C89-L92 PolarHBondContact O-N 3.05Å; C89-F100 HydrophobicContact CB-CD2 3.92Å; C89-F100 HydrophobicContact CB-CE2 4.27Å; C89-F139 HydrophobicContact CB-CE2 4.24Å; C89-F139 HydrophobicContact CB-CZ 3.74Å; C89-F139 WeakPolarHBondContact O-CE2 3.22Å
90W98.3Very high92.8Very high0 Ų021.9 Ų21.90%013%0.127CC..G310 helixtrans-68.9-14.1173.4-87.6-88.1000113.9L87 H88 L92 E119 F137 F139 R140 P141 S142 T145 H146 L149 L167 F171L87-W90 HydrophobicContact CD2-CE3 4.4Å; L87-W90 HydrophobicContact CD2-CZ3 4.06Å; L87-W90 PolarHBondContact O-N 2.95Å; H88-W90 PolarHBondContact O-N 2.99Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.83Å; W90-E119 PolarHBondContact NE1-OE2 3.26Å; W90-F137 HydrophobicContact CH2-CD2 4.38Å; W90-F137 AromaticContact CH2-CE2 3.45Å; W90-F137 HydrophobicContact CH2-CE2 3.45Å; W90-F137 VanDerWaalsContact CH2-CE2 3.45Å; W90-F137 AromaticContact CH2-CZ 3.79Å; W90-F137 HydrophobicContact CH2-CZ 3.79Å; W90-F137 HydrophobicContact CZ2-CE2 4.03Å; W90-F137 HydrophobicContact CZ3-CE2 4.04Å; W90-F137 HydrophobicContact CZ3-CZ 4.03Å; W90-F139 AromaticContact CD1-CD2 3.87Å; W90-F139 AromaticContact CD2-CD2 3.94Å; W90-F139 HydrophobicContact CD2-CD2 3.94Å; W90-F139 HydrophobicContact CD2-CE2 4.34Å; W90-F139 AromaticContact CE2-CD2 3.68Å; W90-F139 HydrophobicContact CG-CD2 4.06Å; W90-F139 HydrophobicContact CG-CE2 4.31Å; W90-F139 HydrophobicContact CZ2-CB 3.76Å; W90-F139 HydrophobicContact CZ2-CD2 4.16Å; W90-F139 HydrophobicContact CZ2-CG 4.14Å; W90-F139 AromaticContact NE1-CD2 3.62Å; W90-R140 VanDerWaalsContact CD1-O 3.27Å; W90-P141 CarbonylContact O-C 3.55Å; W90-P141 WeakPolarHBondContact O-CA 3.41Å; W90-S142 CarbonylContact O-C 3.55Å; W90-S142 PolarHBondContact O-N 3.45Å; W90-T145 HydrophobicContact CG-CG2 4.33Å; W90-H146 HydrophobicContact CB-CB 3.85Å; W90-L149 HydrophobicContact CD2-CD1 3.71Å; W90-L149 HydrophobicContact CE3-CD1 3.67Å; W90-L149 HydrophobicContact CG-CD1 4.33Å; W90-L149 HydrophobicContact CH2-CD1 4.16Å; W90-L149 HydrophobicContact CZ2-CD1 4.17Å; W90-L149 HydrophobicContact CZ3-CD1 3.91Å; W90-L167 HydrophobicContact CH2-CD2 3.5Å; W90-L167 HydrophobicContact CZ2-CD2 4.5Å; W90-L167 HydrophobicContact CZ3-CD2 3.83Å; W90-F171 HydrophobicContact CH2-CE2 4.21Å; W90-F171 AromaticContact CZ2-CE2 3.83Å; W90-F171 HydrophobicContact CZ2-CE2 3.83Å; W90-F171 AromaticContact CZ2-CZ 3.94Å; W90-F171 HydrophobicContact CZ2-CZ 3.94Å
91T96.5Very high94.1Very high32 Ų3221.9 Ų21.920%0.19613%0.127CC..G310 helixtrans-82.3-3.6178.371.40000113.8K59 H88 C89 T93 H146K59-T91 PolarHBondContact NZ-OG1 3.03Å; H88-T91 WeakPolarHBondContact O-CB 3.21Å; H88-T91 PolarHBondContact O-N 2.88Å; H88-T91 PolarHBondContact O-OG1 3.16Å; C89-T91 PolarHBondContact O-N 3.07Å; T91-T93 PolarHBondContact O-N 2.86Å; T91-H146 HydrophobicContact CG2-CB 4.4Å
92L97.3Very high95.2Very high0 Ų022.3 Ų22.30%013%0.125CC..  trans-80.854.9-178.5-58.2172.4000111.9V7 V36 L38 K59 C89 W90 H94 Y95 P141V7-L92 HydrophobicContact CG1-CD1 3.86Å; V7-L92 HydrophobicContact CG2-CD1 3.8Å; V36-L92 HydrophobicContact CG1-CD1 3.98Å; V36-L92 HydrophobicContact CG1-CD2 4.5Å; L38-L92 HydrophobicContact CD2-CD1 4.4Å; L38-L92 HydrophobicContact CD2-CD2 4.35Å; K59-L92 HydrophobicContact CD-CD2 3.76Å; C89-L92 WeakPolarHBondContact O-CG 3.21Å; C89-L92 PolarHBondContact O-N 3.05Å; W90-L92 VanDerWaalsContact C-N 3.28Å; W90-L92 PolarHBondContact O-N 2.83Å; L92-H94 PolarHBondContact O-N 2.85Å; L92-H94 VanDerWaalsContact O-N 3.1Å; L92-Y95 HydrophobicContact CB-CD2 3.97Å; L92-Y95 PolarHBondContact O-N 3.19Å; L92-P141 HydrophobicContact CB-CB 4.46Å; L92-P141 HydrophobicContact CB-CG 4.45Å; L92-P141 VanDerWaalsContact O-CB 3.22Å; L92-P141 WeakPolarHBondContact O-CB 3.42Å; L92-P141 WeakPolarHBondContact O-CG 3.44Å
93T97.1Very high96Very high83 Ų8318.5 Ų18.551%0.50910%0.102SC..THydrogen-bonded Turntrans-70.3-4.6-169.553.70000115.4T91 V143T91-T93 PolarHBondContact O-N 2.86Å; T93-V143 HydrophobicContact CG2-CG2 3.86Å
94H96.4Very high96.6Very high106 Ų10618.6 Ų18.649%0.49110%0.102SC..THydrogen-bonded Turntrans-75.5-9.2167.157.3-74.3000113.3E57 L92E57-H94 IonicContact OE1-CE1 3.9Å; E57-H94 IonicContact OE1-NE2 2.8Å; E57-H94 PolarHBondContact OE1-NE2 2.88Å; E57-H94 IonicContact OE2-CD2 3.99Å; E57-H94 IonicContact OE2-CE1 2.78Å; E57-H94 IonicContact OE2-NE2 3.89Å; E57-H94 PolarHBondContact OE2-NE2 3.26Å; L92-H94 PolarHBondContact O-N 2.85Å; L92-H94 VanDerWaalsContact O-N 3.1Å
95Y98.4Very high97.3Very high19 Ų1918.6 Ų18.68%0.07510%0.102CC..SBendtrans-103.8139168.4-58.8-69.4000111D3 A5 K34 V36 E57 L92 C98D3-Y95 CarbonylContact O-C 3.43Å; D3-Y95 VanDerWaalsContact O-CA 3.22Å; D3-Y95 WeakPolarHBondContact O-CA 3.28Å; D3-Y95 WeakPolarHBondContact O-CB 3.42Å; A5-Y95 HydrophobicContact CB-CD1 3.84Å; A5-Y95 HydrophobicContact CB-CD2 4.13Å; A5-Y95 HydrophobicContact CB-CE1 3.79Å; A5-Y95 HydrophobicContact CB-CE2 4.09Å; A5-Y95 HydrophobicContact CB-CG 4.03Å; K34-Y95 HydrophobicContact CB-CE1 3.94Å; K34-Y95 HydrophobicContact CG-CE1 4.12Å; V36-Y95 HydrophobicContact CG2-CD2 4.5Å; V36-Y95 HydrophobicContact CG2-CE2 3.52Å; V36-Y95 WeakPolarHBondContact CG2-OH 3.18Å; E57-Y95 PolarHBondContact OE2-OH 2.83Å; L92-Y95 HydrophobicContact CB-CD2 3.97Å; L92-Y95 PolarHBondContact O-N 3.19Å; Y95-C98 VanDerWaalsContact CB-SG 3.59Å
96S98.2Very high97.7Very high56 Ų5618.2 Ų18.239%0.39210%0.1SC..SBendtrans-78.2-30.6178.165.90000112.9D3D3-S96 VanDerWaalsContact CG-OG 3.24Å; D3-S96 PolarHBondContact O-N 2.59Å; D3-S96 PolarHBondContact O-OG 3.01Å; D3-S96 VanDerWaalsContact OD2-CB 3.28Å; D3-S96 WeakPolarHBondContact OD2-CB 3.47Å; D3-S96 PolarHBondContact OD2-OG 3.35Å
97K98.6Very high97.9Very high15 Ų1518.2 Ų18.27%0.06510%0.1CC..EExtended strand (participates in β ladder)trans-156.6140.6-179.7-172178.8-66.3-175.10110Q4 A5 F115 R117 E118 V138Q4-K97 VanDerWaalsContact CA-O 3.31Å; Q4-K97 WeakPolarHBondContact CA-O 3.37Å; Q4-K97 HydrophobicContact CG-CB 4.25Å; A5-K97 PolarHBondContact N-O 2.81Å; K97-F115 HydrophobicContact CB-CD1 4.49Å; K97-F115 HydrophobicContact CD-CD1 4.43Å; K97-F115 VanDerWaalsContact CD-O 3.26Å; K97-F115 WeakPolarHBondContact CD-O 3.37Å; K97-F115 HydrophobicContact CG-CD1 4.32Å; K97-F115 PolarHBondContact NZ-O 3.24Å; K97-R117 WeakPolarHBondContact CD-O 3.37Å; K97-R117 VanDerWaalsContact CE-O 3.28Å; K97-R117 WeakPolarHBondContact CE-O 3.2Å; K97-R117 PolarHBondContact NZ-O 3.41Å; K97-E118 IonicContact NZ-OE1 3.29Å; K97-E118 PolarHBondContact NZ-OE1 2.88Å; K97-E118 IonicContact NZ-OE2 2.85Å; K97-V138 HydrophobicContact CD-CG1 3.92Å; K97-V138 HydrophobicContact CG-CG1 3.97Å
98C98.9Very high98Very high0 Ų020.1 Ų20.10%011%0.11CC..EExtended strand (participates in β ladder)trans-130.6153.9179.8-70.80000111.4A5 V7 Y95 V138 F139 P141A5-C98 CarbonylContact O-C 3.49Å; A5-C98 WeakPolarHBondContact O-CA 3.32Å; V7-C98 HydrophobicContact CG2-CB 3.86Å; Y95-C98 VanDerWaalsContact CB-SG 3.59Å; C98-V138 WeakPolarHBondContact O-CA 3.22Å; C98-F139 HydrophobicContact CB-CD1 3.89Å; C98-F139 HydrophobicContact CB-CE1 3.23Å; C98-F139 HydrophobicContact CB-CE2 3.97Å; C98-F139 HydrophobicContact CB-CG 4.5Å; C98-F139 HydrophobicContact CB-CZ 3.29Å; C98-F139 PolarHBondContact N-O 3.03Å; C98-F139 WeakPolarHBondContact O-CD1 3.44Å; C98-F139 PolarHBondContact O-N 2.95Å; C98-P141 HydrophobicContact CB-CG 4.3Å
99V98.9Very high98.2Very high0 Ų020.5 Ų20.50%012%0.115CC..EExtended strand (participates in β ladder)trans-111.8112.7165.5-179.40000107.3A5 F6 V7 M101 L114 F115 V136 F137 V138A5-V99 PolarHBondContact O-N 3.24Å; F6-V99 CarbonylContact C-O 3.55Å; F6-V99 VanDerWaalsContact CA-O 3.31Å; F6-V99 WeakPolarHBondContact CA-O 3.1Å; F6-V99 HydrophobicContact CD1-CB 3.63Å; F6-V99 HydrophobicContact CD1-CG1 3.88Å; F6-V99 HydrophobicContact CD1-CG2 4.45Å; F6-V99 HydrophobicContact CE1-CB 3.73Å; F6-V99 HydrophobicContact CE1-CG1 3.8Å; F6-V99 HydrophobicContact CE1-CG2 4.13Å; V7-V99 PolarHBondContact N-O 2.97Å; V99-M101 HydrophobicContact CG1-CG 4.1Å; V99-L114 HydrophobicContact CG1-CD1 3.96Å; V99-L114 HydrophobicContact CG2-CB 3.9Å; V99-F115 HydrophobicContact CB-CE2 4.41Å; V99-F115 HydrophobicContact CB-CZ 4.12Å; V99-F115 HydrophobicContact CG2-CD1 4.28Å; V99-F115 HydrophobicContact CG2-CD2 4.05Å; V99-F115 HydrophobicContact CG2-CE1 3.91Å; V99-F115 HydrophobicContact CG2-CE2 3.62Å; V99-F115 HydrophobicContact CG2-CG 4.37Å; V99-F115 HydrophobicContact CG2-CZ 3.58Å; V99-V136 HydrophobicContact CG1-CG1 4.24Å; V99-F137 CarbonylContact C-O 3Å; V99-F137 WeakPolarHBondContact CA-O 3.42Å; V99-V138 HydrophobicContact CG2-CG1 4.45Å; V99-V138 HydrophobicContact CG2-CG2 4.12Å
100F98.9Very high98.2Very high0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-77.9138.5171.6-170-81.4000109.4V7 L9 K86 C89 D102 V136 F137 F139V7-F100 HydrophobicContact CB-CD2 4.31Å; V7-F100 HydrophobicContact CG1-CD2 4.23Å; V7-F100 HydrophobicContact CG1-CE2 4.48Å; V7-F100 CarbonylContact O-C 3.47Å; V7-F100 VanDerWaalsContact O-CA 3.32Å; V7-F100 WeakPolarHBondContact O-CA 3.39Å; L9-F100 HydrophobicContact CB-CE2 4.42Å; L9-F100 HydrophobicContact CB-CZ 4.06Å; K86-F100 HydrophobicContact CD-CE1 3.88Å; K86-F100 HydrophobicContact CD-CE2 4.36Å; K86-F100 HydrophobicContact CD-CZ 3.68Å; K86-F100 HydrophobicContact CG-CE1 4.27Å; K86-F100 HydrophobicContact CG-CE2 3.85Å; K86-F100 HydrophobicContact CG-CZ 3.66Å; C89-F100 HydrophobicContact CB-CD2 3.92Å; C89-F100 HydrophobicContact CB-CE2 4.27Å; F100-D102 VanDerWaalsContact CE1-OD1 3.23Å; F100-D102 WeakPolarHBondContact CE1-OD1 3.37Å; F100-V136 VanDerWaalsContact O-CA 3.32Å; F100-V136 WeakPolarHBondContact O-CA 3.31Å; F100-F137 HydrophobicContact CB-CD1 3.95Å; F100-F137 HydrophobicContact CB-CD2 4.01Å; F100-F137 HydrophobicContact CB-CE1 3.54Å; F100-F137 HydrophobicContact CB-CE2 3.59Å; F100-F137 HydrophobicContact CB-CG 4.18Å; F100-F137 HydrophobicContact CB-CZ 3.34Å; F100-F137 HydrophobicContact CD1-CD1 4.22Å; F100-F137 AromaticContact CD1-CE1 3.55Å; F100-F137 HydrophobicContact CD1-CE1 3.55Å; F100-F137 HydrophobicContact CD1-CZ 4Å; F100-F137 HydrophobicContact CD2-CZ 4.21Å; F100-F137 HydrophobicContact CG-CD1 4.39Å; F100-F137 AromaticContact CG-CE1 3.61Å; F100-F137 HydrophobicContact CG-CE1 3.61Å; F100-F137 HydrophobicContact CG-CE2 4.3Å; F100-F137 AromaticContact CG-CZ 3.56Å; F100-F137 HydrophobicContact CG-CZ 3.56Å; F100-F137 PolarHBondContact N-O 2.9Å; F100-F137 PolarHBondContact O-N 3.42Å; F100-F137 VanDerWaalsContact O-N 3.11Å; F100-F139 HydrophobicContact CB-CD1 4.12Å; F100-F139 HydrophobicContact CB-CE1 3.79Å
101M98.9Very high98.3Very high1 Ų123.3 Ų23.31%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-137.9126.9174.1-60.1-170.975.300109.4F6 V7 T8 L22 L26 V99 V107 I111 G135 V136 V210F6-M101 HydrophobicContact CD1-CG 4.23Å; F6-M101 HydrophobicContact CD1-SD 3.63Å; F6-M101 HydrophobicContact CE1-SD 3.95Å; V7-M101 PolarHBondContact O-N 2.87Å; T8-M101 VanDerWaalsContact CA-O 3.32Å; T8-M101 WeakPolarHBondContact CA-O 3.36Å; T8-M101 VanDerWaalsContact CB-O 3.27Å; T8-M101 WeakPolarHBondContact CB-O 3.38Å; T8-M101 PolarHBondContact OG1-O 2.67Å; T8-M101 VanDerWaalsContact OG1-O 3.09Å; L22-M101 HydrophobicContact CD1-CB 4.5Å; L22-M101 HydrophobicContact CD1-CE 4.03Å; L22-M101 HydrophobicContact CD1-SD 4.11Å; L22-M101 HydrophobicContact CD2-CB 3.82Å; L26-M101 HydrophobicContact CD1-SD 4.43Å; V99-M101 HydrophobicContact CG1-CG 4.1Å; M101-V107 HydrophobicContact CE-CG2 3.72Å; M101-V107 HydrophobicContact SD-CG2 4.26Å; M101-I111 HydrophobicContact CE-CD1 3.9Å; M101-I111 HydrophobicContact SD-CD1 3.84Å; M101-G135 CarbonylContact C-O 3.39Å; M101-G135 VanDerWaalsContact CA-O 3.26Å; M101-G135 WeakPolarHBondContact CA-O 3.4Å; M101-V136 HydrophobicContact CE-CG2 4.1Å; M101-V136 HydrophobicContact CG-CG1 4.39Å; M101-V136 HydrophobicContact CG-CG2 4.43Å; M101-V210 HydrophobicContact CE-CB 4.42Å; M101-V210 HydrophobicContact CE-CG1 3.6Å; M101-V210 HydrophobicContact CE-CG2 3.89Å
102D98.8Very high98.4Very high31 Ų3122.9 Ų22.917%0.16613%0.127CC..  trans-64.3148.7173.5-80.9-28.7000110.6K86 F100 D104 T105 G135K86-D102 IonicContact NZ-OD1 2.68Å; K86-D102 PolarHBondContact NZ-OD1 3.48Å; K86-D102 IonicContact NZ-OD2 2.63Å; K86-D102 PolarHBondContact NZ-OD2 2.96Å; F100-D102 VanDerWaalsContact CE1-OD1 3.23Å; F100-D102 WeakPolarHBondContact CE1-OD1 3.37Å; D102-D104 WeakPolarHBondContact CB-OD1 3.44Å; D102-D104 PolarHBondContact O-N 2.69Å; D102-D104 VanDerWaalsContact O-N 3.13Å; D102-T105 HydrophobicContact CB-CG2 4.37Å; D102-T105 WeakPolarHBondContact O-CB 3.38Å; D102-T105 WeakPolarHBondContact O-CG2 3.49Å; D102-T105 PolarHBondContact O-N 3.4Å; D102-T105 PolarHBondContact O-OG1 3.07Å; D102-G135 PolarHBondContact N-O 3.49Å; D102-G135 VanDerWaalsContact OD2-CA 3.24Å; D102-G135 WeakPolarHBondContact OD2-CA 3.32Å
103A98.5Very high98.5Very high1 Ų125.3 Ų25.31%0.00814%0.138CC..THydrogen-bonded Turntrans-68.7-11.4-174.300000114.2L9 Y15 G18 A19 T105L9-A103 WeakPolarHBondContact O-CB 3.47Å; Y15-A103 HydrophobicContact CD1-CB 4.19Å; G18-A103 CarbonylContact C-O 3.47Å; G18-A103 WeakPolarHBondContact CA-O 3.45Å; A19-A103 HydrophobicContact CB-CB 4.03Å; A103-T105 VanDerWaalsContact C-N 3.32Å
104D97.8Very high98.5Very high7 Ų721.4 Ų21.44%0.03711%0.114CC..THydrogen-bonded Turntrans-96.125.2170.758.4-6.5000112.6D102 H212 F213 K218 W220D102-D104 WeakPolarHBondContact CB-OD1 3.44Å; D102-D104 PolarHBondContact O-N 2.69Å; D102-D104 VanDerWaalsContact O-N 3.13Å; D104-H212 IonicContact OD1-CD2 3.68Å; D104-H212 IonicContact OD1-NE2 2.64Å; D104-H212 PolarHBondContact OD1-NE2 2.95Å; D104-H212 IonicContact OD2-NE2 3.61Å; D104-F213 HydrophobicContact CB-CB 4.39Å; D104-F213 WeakPolarHBondContact O-CB 3.43Å; D104-F213 VanDerWaalsContact O-CD2 3.25Å; D104-F213 WeakPolarHBondContact O-CD2 3.45Å; D104-F213 PolarHBondContact O-N 2.86Å; D104-K218 HydrophobicContact CB-CD 4.2Å; D104-K218 WeakPolarHBondContact OD2-CE 3.03Å; D104-K218 IonicContact OD2-NZ 2.84Å; D104-K218 PolarHBondContact OD2-NZ 2.97Å; D104-W220 HydrophobicContact CB-CH2 3.82Å; D104-W220 HydrophobicContact CB-CZ3 4.12Å
105T98.7Very high98.6Very high0 Ų016.8 Ų16.80%09%0.093CC..EExtended strand (participates in β ladder)trans-100.1156166.464.40000111.9L22 D102 A103 V136 V210 V211 H212L22-T105 WeakPolarHBondContact CD1-OG1 3.39Å; D102-T105 HydrophobicContact CB-CG2 4.37Å; D102-T105 WeakPolarHBondContact O-CB 3.38Å; D102-T105 WeakPolarHBondContact O-CG2 3.49Å; D102-T105 PolarHBondContact O-N 3.4Å; D102-T105 PolarHBondContact O-OG1 3.07Å; A103-T105 VanDerWaalsContact C-N 3.32Å; T105-V136 HydrophobicContact CG2-CG2 4.12Å; T105-V210 HydrophobicContact CG2-CG1 4.43Å; T105-V211 CarbonylContact C-O 3.57Å; T105-V211 VanDerWaalsContact CA-O 3.23Å; T105-V211 WeakPolarHBondContact CA-O 3.5Å; T105-H212 HydrophobicContact CG2-CB 4.12Å
106L98.6Very high98.6Very high5 Ų523.4 Ų23.43%0.02612%0.124CC..EExtended strand (participates in β ladder)trans-134.6127.2175.3173.870.1000110.2V21 L108 V210 V211 F213 N247 W248 L251V21-L106 HydrophobicContact CG1-CD1 3.95Å; L106-L108 HydrophobicContact CD2-CD2 3.89Å; L106-L108 HydrophobicContact CG-CD2 4.07Å; L106-V210 WeakPolarHBondContact O-CA 3.47Å; L106-V211 PolarHBondContact N-O 2.81Å; L106-V211 PolarHBondContact O-N 3.19Å; L106-F213 HydrophobicContact CB-CE2 3.74Å; L106-F213 HydrophobicContact CB-CZ 4.4Å; L106-F213 HydrophobicContact CD2-CE2 4.35Å; L106-F213 HydrophobicContact CD2-CZ 4.27Å; L106-N247 HydrophobicContact CD2-CB 4.06Å; L106-W248 HydrophobicContact CD2-CB 4.27Å; L106-L251 HydrophobicContact CD1-CD2 4.28Å
107V98.8Very high98.6Very high2 Ų224.2 Ų24.21%0.01212%0.119CC..EExtended strand (participates in β ladder)trans-87.6130177.3178.70000110.6L22 S25 L26 H29 M101 S109 I111 V210L22-V107 HydrophobicContact CD1-CG2 3.91Å; S25-V107 WeakPolarHBondContact OG-CB 3.49Å; S25-V107 PolarHBondContact OG-N 3.38Å; L26-V107 HydrophobicContact CD2-CB 4.46Å; L26-V107 HydrophobicContact CD2-CG1 4.37Å; L26-V107 HydrophobicContact CD2-CG2 3.77Å; L26-V107 HydrophobicContact CG-CG2 3.89Å; H29-V107 PolarHBondContact CE1-O 2.93Å; M101-V107 HydrophobicContact CE-CG2 3.72Å; M101-V107 HydrophobicContact SD-CG2 4.26Å; V107-S109 WeakPolarHBondContact CG1-O 3.39Å; V107-I111 HydrophobicContact CG1-CD1 4.35Å; V107-I111 HydrophobicContact CG1-CG1 4.3Å; V107-I111 HydrophobicContact CG2-CD1 3.9Å; V107-V210 HydrophobicContact CG2-CG2 4.39Å
108L98.4Very high98.6Very high41 Ų4127.2 Ų27.222%0.21513%0.133CC..  trans-110.9-9.5-177.4-57.6-178000113.4H29 L106 A208 K209 V211 F244H29-L108 VanDerWaalsContact NE2-C 3.27Å; H29-L108 PolarHBondContact NE2-O 2.93Å; H29-L108 VanDerWaalsContact NE2-O 3.12Å; L106-L108 HydrophobicContact CD2-CD2 3.89Å; L106-L108 HydrophobicContact CG-CD2 4.07Å; L108-A208 HydrophobicContact CD1-CB 3.97Å; L108-K209 PolarHBondContact N-O 3.29Å; L108-V211 HydrophobicContact CD1-CG2 3.6Å; L108-V211 HydrophobicContact CG-CG2 4.29Å; L108-F244 HydrophobicContact CD1-CD1 4Å; L108-F244 HydrophobicContact CD1-CE1 3.57Å; L108-F244 HydrophobicContact CD1-CZ 4.3Å
109S98.4Very high98.6Very high32 Ų3229.3 Ų29.322%0.22414%0.143CC..SBendtrans-159.5167.1177.866.40000110.1H29 V107 I111 K209H29-S109 VanDerWaalsContact CD2-CA 3.45Å; H29-S109 WeakPolarHBondContact CD2-CA 3.5Å; V107-S109 WeakPolarHBondContact CG1-O 3.39Å; S109-I111 PolarHBondContact O-N 3.37Å; S109-K209 WeakPolarHBondContact OG-CB 3.29Å; S109-K209 WeakPolarHBondContact OG-CD 3.32Å; S109-K209 VanDerWaalsContact OG-CG 3.23Å; S109-K209 WeakPolarHBondContact OG-CG 3.49Å
110N98.8Very high98.6Very high57 Ų5729.5 Ų29.531%0.30514%0.144SC..  trans-62137.9173.2-169.1-72.3000110.2H29 N30 D112H29-N110 WeakPolarHBondContact O-CB 3.47Å; H29-N110 PolarHBondContact O-ND2 2.93Å; N30-N110 PolarHBondContact O-ND2 2.85Å; N110-D112 VanDerWaalsContact OD1-CB 3.29Å; N110-D112 WeakPolarHBondContact OD1-CB 3.28Å; N110-D112 PolarHBondContact OD1-N 2.89Å
111I98.9Very high98.6Very high2 Ų229.6 Ų29.61%0.0114%0.144CC..  trans-132.122.5-17754.7167.8000111.6F6 L26 M101 V107 S109 E113 L114 Y187 K209 V210F6-I111 HydrophobicContact CE1-CD1 3.66Å; F6-I111 HydrophobicContact CE1-CG1 3.94Å; F6-I111 HydrophobicContact CZ-CD1 4.01Å; F6-I111 HydrophobicContact CZ-CG1 3.74Å; L26-I111 HydrophobicContact CD2-CD1 4.2Å; L26-I111 HydrophobicContact CD2-CG1 4.27Å; M101-I111 HydrophobicContact CE-CD1 3.9Å; M101-I111 HydrophobicContact SD-CD1 3.84Å; V107-I111 HydrophobicContact CG1-CD1 4.35Å; V107-I111 HydrophobicContact CG1-CG1 4.3Å; V107-I111 HydrophobicContact CG2-CD1 3.9Å; S109-I111 PolarHBondContact O-N 3.37Å; I111-E113 VanDerWaalsContact C-OE2 3.26Å; I111-E113 VanDerWaalsContact CA-OE2 3.29Å; I111-E113 WeakPolarHBondContact CA-OE2 3.42Å; I111-E113 PolarHBondContact O-N 2.91Å; I111-L114 HydrophobicContact CB-CD1 4.1Å; I111-L114 HydrophobicContact CB-CG 4.34Å; I111-L114 HydrophobicContact CD1-CD1 4.08Å; I111-L114 HydrophobicContact CG1-CD1 4.46Å; I111-L114 WeakPolarHBondContact O-CB 3.38Å; I111-L114 WeakPolarHBondContact O-CG 3.34Å; I111-L114 PolarHBondContact O-N 3.39Å; I111-L114 VanDerWaalsContact O-N 3.07Å; I111-Y187 HydrophobicContact CB-CD1 4.32Å; I111-Y187 HydrophobicContact CB-CE1 4.22Å; I111-Y187 HydrophobicContact CG2-CD1 3.84Å; I111-Y187 HydrophobicContact CG2-CE1 3.84Å; I111-K209 HydrophobicContact CG2-CB 3.81Å; I111-K209 HydrophobicContact CG2-CD 4.03Å; I111-V210 HydrophobicContact CD1-CG2 3.8Å; I111-V210 HydrophobicContact CG2-CG2 4.16Å
112D98.8Very high98.6Very high23 Ų2329.5 Ų29.512%0.12314%0.144CC..G310 helixtrans-64.2-20.1180-76.35.2000112.2T31 S32 N110 L114 F115T31-D112 VanDerWaalsContact CB-OD1 3.29Å; T31-D112 WeakPolarHBondContact CB-OD1 3.28Å; T31-D112 PolarHBondContact OG1-OD1 3.01Å; S32-D112 WeakPolarHBondContact CB-OD2 3.33Å; S32-D112 PolarHBondContact N-OD2 3.13Å; S32-D112 PolarHBondContact OG-OD2 3.09Å; N110-D112 VanDerWaalsContact OD1-CB 3.29Å; N110-D112 WeakPolarHBondContact OD1-CB 3.28Å; N110-D112 PolarHBondContact OD1-N 2.89Å; D112-L114 PolarHBondContact O-N 2.67Å; D112-F115 VanDerWaalsContact O-CD2 3.31Å; D112-F115 WeakPolarHBondContact O-CD2 3.26Å; D112-F115 PolarHBondContact O-N 2.84Å; D112-F115 VanDerWaalsContact O-N 3.16Å
113E98.6Very high98.6Very high50 Ų5028 Ų2823%0.23414%0.136CC..G310 helixtrans-64.9-14.6173.170.9-84.8-164.200113.1I111 F115 E116 Y187 K209I111-E113 VanDerWaalsContact C-OE2 3.26Å; I111-E113 VanDerWaalsContact CA-OE2 3.29Å; I111-E113 WeakPolarHBondContact CA-OE2 3.42Å; I111-E113 PolarHBondContact O-N 2.91Å; E113-F115 PolarHBondContact O-N 3.29Å; E113-E116 VanDerWaalsContact O-CB 3.31Å; E113-E116 WeakPolarHBondContact O-CB 3.48Å; E113-E116 WeakPolarHBondContact O-CG 3.34Å; E113-E116 PolarHBondContact O-N 2.81Å; E113-E116 VanDerWaalsContact O-N 3.08Å; E113-Y187 HydrophobicContact CG-CE1 4.47Å; E113-Y187 WeakPolarHBondContact OE1-CE1 3.45Å; E113-Y187 PolarHBondContact OE1-OH 2.76Å; E113-K209 IonicContact OE1-NZ 2.82Å; E113-K209 PolarHBondContact OE1-NZ 3.01Å
114L98.8Very high98.5Very high2 Ų229.6 Ų29.61%0.0115%0.146CC..G310 helixtrans-60.3-24.8171.5-71.3-179.9000112.4V99 I111 D112 E116 R117 V136 V138 L183 Y187V99-L114 HydrophobicContact CG1-CD1 3.96Å; V99-L114 HydrophobicContact CG2-CB 3.9Å; I111-L114 HydrophobicContact CB-CD1 4.1Å; I111-L114 HydrophobicContact CB-CG 4.34Å; I111-L114 HydrophobicContact CD1-CD1 4.08Å; I111-L114 HydrophobicContact CG1-CD1 4.46Å; I111-L114 WeakPolarHBondContact O-CB 3.38Å; I111-L114 WeakPolarHBondContact O-CG 3.34Å; I111-L114 PolarHBondContact O-N 3.39Å; I111-L114 VanDerWaalsContact O-N 3.07Å; D112-L114 PolarHBondContact O-N 2.67Å; L114-E116 PolarHBondContact O-N 3.07Å; L114-R117 VanDerWaalsContact O-CB 3.27Å; L114-R117 WeakPolarHBondContact O-CB 3.34Å; L114-R117 WeakPolarHBondContact O-CG 3.37Å; L114-R117 PolarHBondContact O-N 2.92Å; L114-R117 VanDerWaalsContact O-N 3.09Å; L114-V136 HydrophobicContact CD1-CG1 4.44Å; L114-V138 HydrophobicContact CB-CG2 4.27Å; L114-L183 HydrophobicContact CD2-CD1 4.01Å; L114-L183 HydrophobicContact CD2-CD2 3.73Å; L114-L183 HydrophobicContact CD2-CG 4.45Å; L114-Y187 HydrophobicContact CD1-CD1 3.95Å; L114-Y187 HydrophobicContact CD2-CD1 3.56Å; L114-Y187 HydrophobicContact CD2-CE1 3.81Å; L114-Y187 HydrophobicContact CD2-CG 3.94Å; L114-Y187 HydrophobicContact CG-CD1 3.84Å; L114-Y187 HydrophobicContact CG-CE1 3.98Å
115F98.7Very high98.5Very high9 Ų930.3 Ų30.34%0.03915%0.15CC..G310 helixtrans-73.5-7.8177.8-68.7-91.8000113.8Q4 A5 F6 K33 K97 V99 D112 E113Q4-F115 HydrophobicContact CB-CD1 3.64Å; Q4-F115 HydrophobicContact CB-CE1 3.65Å; Q4-F115 HydrophobicContact CG-CD1 3.87Å; Q4-F115 HydrophobicContact CG-CE1 4.33Å; A5-F115 WeakPolarHBondContact O-CE1 3.37Å; A5-F115 WeakPolarHBondContact O-CZ 3.2Å; F6-F115 HydrophobicContact CD2-CE2 4.11Å; F6-F115 HydrophobicContact CD2-CZ 4.16Å; F6-F115 HydrophobicContact CE1-CE2 4.02Å; F6-F115 HydrophobicContact CE1-CZ 4.46Å; F6-F115 AromaticContact CE2-CE2 3.54Å; F6-F115 HydrophobicContact CE2-CE2 3.54Å; F6-F115 HydrophobicContact CE2-CZ 4.06Å; F6-F115 HydrophobicContact CG-CZ 4.39Å; F6-F115 HydrophobicContact CZ-CD2 4.46Å; F6-F115 AromaticContact CZ-CE2 3.49Å; F6-F115 HydrophobicContact CZ-CE2 3.49Å; F6-F115 VanDerWaalsContact CZ-CE2 3.49Å; F6-F115 HydrophobicContact CZ-CZ 4.22Å; K33-F115 HydrophobicContact CB-CE2 4.18Å; K33-F115 HydrophobicContact CB-CZ 4.1Å; K33-F115 HydrophobicContact CD-CD2 4.09Å; K33-F115 HydrophobicContact CD-CE2 4.1Å; K33-F115 HydrophobicContact CD-CG 4.34Å; K33-F115 HydrophobicContact CD-CZ 4.33Å; K33-F115 HydrophobicContact CG-CD2 3.92Å; K33-F115 HydrophobicContact CG-CE2 3.51Å; K33-F115 HydrophobicContact CG-CZ 3.86Å; K97-F115 HydrophobicContact CB-CD1 4.49Å; K97-F115 HydrophobicContact CD-CD1 4.43Å; K97-F115 VanDerWaalsContact CD-O 3.26Å; K97-F115 WeakPolarHBondContact CD-O 3.37Å; K97-F115 HydrophobicContact CG-CD1 4.32Å; K97-F115 PolarHBondContact NZ-O 3.24Å; V99-F115 HydrophobicContact CB-CE2 4.41Å; V99-F115 HydrophobicContact CB-CZ 4.12Å; V99-F115 HydrophobicContact CG2-CD1 4.28Å; V99-F115 HydrophobicContact CG2-CD2 4.05Å; V99-F115 HydrophobicContact CG2-CE1 3.91Å; V99-F115 HydrophobicContact CG2-CE2 3.62Å; V99-F115 HydrophobicContact CG2-CG 4.37Å; V99-F115 HydrophobicContact CG2-CZ 3.58Å; D112-F115 VanDerWaalsContact O-CD2 3.31Å; D112-F115 WeakPolarHBondContact O-CD2 3.26Å; D112-F115 PolarHBondContact O-N 2.84Å; D112-F115 VanDerWaalsContact O-N 3.16Å; E113-F115 PolarHBondContact O-N 3.29Å
116E98.2Very high98.2Very high157 Ų15733 Ų3373%0.73417%0.167SC*.G310 helixtrans-75-16.6169.1-59.5176.5-177.900112E113 L114E113-E116 VanDerWaalsContact O-CB 3.31Å; E113-E116 WeakPolarHBondContact O-CB 3.48Å; E113-E116 WeakPolarHBondContact O-CG 3.34Å; E113-E116 PolarHBondContact O-N 2.81Å; E113-E116 VanDerWaalsContact O-N 3.08Å; L114-E116 PolarHBondContact O-N 3.07Å
117R98.4Very high97.9Very high74 Ų7435.9 Ų35.928%0.27920%0.198SC..SBendtrans-84.1159.8-177.7-54.5-70.7178.4157.3-2.5112.2K97 L114 V138 S180 L183K97-R117 WeakPolarHBondContact CD-O 3.37Å; K97-R117 VanDerWaalsContact CE-O 3.28Å; K97-R117 WeakPolarHBondContact CE-O 3.2Å; K97-R117 PolarHBondContact NZ-O 3.41Å; L114-R117 VanDerWaalsContact O-CB 3.27Å; L114-R117 WeakPolarHBondContact O-CB 3.34Å; L114-R117 WeakPolarHBondContact O-CG 3.37Å; L114-R117 PolarHBondContact O-N 2.92Å; L114-R117 VanDerWaalsContact O-N 3.09Å; R117-V138 HydrophobicContact CB-CB 4.32Å; R117-V138 HydrophobicContact CB-CG1 4.31Å; R117-V138 HydrophobicContact CB-CG2 4.04Å; R117-S180 WeakPolarHBondContact CD-O 3.49Å; R117-S180 PolarHBondContact NH1-O 3.42Å; R117-L183 HydrophobicContact CB-CD2 4.49Å; R117-L183 HydrophobicContact CG-CD2 3.79Å
118E98.3Very high97.8Very high77 Ų7744.1 Ų44.136%0.3623%0.229SC..  trans-107167.1-178.8-71.2-56.7143.100113.1K97 L120 S121 R140K97-E118 IonicContact NZ-OE1 3.29Å; K97-E118 PolarHBondContact NZ-OE1 2.88Å; K97-E118 IonicContact NZ-OE2 2.85Å; E118-L120 CarbonylContact O-C 3.57Å; E118-S121 WeakPolarHBondContact O-CB 3.43Å; E118-S121 PolarHBondContact O-N 2.82Å; E118-S121 VanDerWaalsContact O-N 3.09Å; E118-S121 PolarHBondContact O-OG 2.93Å; E118-R140 IonicContact OE1-NH2 3.83Å; E118-R140 PolarHBondContact OE1-NH2 2.88Å; E118-R140 VanDerWaalsContact OE1-NH2 3.09Å; E118-R140 IonicContact OE2-CZ 2.76Å; E118-R140 IonicContact OE2-NE 2.81Å; E118-R140 PolarHBondContact OE2-NE 3.49Å; E118-R140 IonicContact OE2-NH2 3.84Å; E118-R140 PolarHBondContact OE2-NH2 2.86Å
119E98.6Very high97.7Very high44 Ų4446 Ų4621%0.20624%0.244CC..SBendtrans-74.8138.6176.7-177.3176.678.400111.3W90 F139 R140 F171 K181W90-E119 PolarHBondContact NE1-OE2 3.26Å; E119-F139 HydrophobicContact CG-CB 4.38Å; E119-F139 WeakPolarHBondContact OE2-CB 3.35Å; E119-R140 HydrophobicContact CB-CB 4.48Å; E119-R140 HydrophobicContact CB-CG 4.24Å; E119-R140 PolarHBondContact OE2-N 3.08Å; E119-F171 HydrophobicContact CG-CE1 4.17Å; E119-F171 HydrophobicContact CG-CZ 4.35Å; E119-K181 VanDerWaalsContact O-CE 3.28Å; E119-K181 WeakPolarHBondContact O-CE 3.32Å; E119-K181 PolarHBondContact O-NZ 3.24Å
120L98.4Very high97.6Very high5 Ų549.8 Ų49.83%0.02626%0.261CS..SBendcis-93.1122.3-17.1-175.6-74.7000107.6E118 A122 F132 F137 V138 F171 K181E118-L120 CarbonylContact O-C 3.57Å; L120-A122 HydrophobicContact CD1-CB 3.72Å; L120-F132 HydrophobicContact CD1-CD1 4.19Å; L120-F132 HydrophobicContact CD1-CD2 4.12Å; L120-F132 HydrophobicContact CD1-CE1 3.92Å; L120-F132 HydrophobicContact CD1-CE2 3.86Å; L120-F132 HydrophobicContact CD1-CG 4.27Å; L120-F132 HydrophobicContact CD1-CZ 3.73Å; L120-F132 HydrophobicContact CG-CZ 4.27Å; L120-F137 HydrophobicContact CD1-CB 4.44Å; L120-F137 HydrophobicContact CD2-CB 3.83Å; L120-F137 HydrophobicContact CD2-CD2 3.55Å; L120-F137 HydrophobicContact CD2-CE2 4.41Å; L120-F137 HydrophobicContact CD2-CG 3.95Å; L120-V138 WeakPolarHBondContact CD2-O 3.47Å; L120-F171 HydrophobicContact CB-CB 4.24Å; L120-F171 HydrophobicContact CB-CD1 3.78Å; L120-F171 HydrophobicContact CB-CD2 4.13Å; L120-F171 HydrophobicContact CB-CE1 4.1Å; L120-F171 HydrophobicContact CB-CE2 4.43Å; L120-F171 HydrophobicContact CB-CG 3.8Å; L120-F171 HydrophobicContact CB-CZ 4.41Å; L120-F171 HydrophobicContact CG-CB 4.38Å; L120-F171 HydrophobicContact CG-CD1 4.44Å; L120-F171 HydrophobicContact CG-CD2 3.88Å; L120-F171 HydrophobicContact CG-CE2 4.23Å; L120-F171 HydrophobicContact CG-CG 4Å; L120-K181 WeakPolarHBondContact O-CB 3.3Å
121S98.9Very high97.6Very high1 Ų148.1 Ų48.11%0.00725%0.254CS..EExtended strand (participates in β ladder)trans-111.5124172.6-59.80000110.5E118 F137 V138 K181E118-S121 WeakPolarHBondContact O-CB 3.43Å; E118-S121 PolarHBondContact O-N 2.82Å; E118-S121 VanDerWaalsContact O-N 3.09Å; E118-S121 PolarHBondContact O-OG 2.93Å; S121-F137 CarbonylContact O-C 3.49Å; S121-F137 WeakPolarHBondContact O-CA 3.25Å; S121-V138 PolarHBondContact N-O 3.45Å; S121-V138 PolarHBondContact O-N 3.45Å; S121-K181 CarbonylContact C-O 3.52Å; S121-K181 WeakPolarHBondContact CA-O 3.49Å; S121-K181 WeakPolarHBondContact OG-CA 3.48Å
122A98.9Very high97.6Very high0 Ų048 Ų480%025%0.254CS..EExtended strand (participates in β ladder)trans-147.8165.2-177.700000110.3L120 F132 F137 W174 K181 L183L120-A122 HydrophobicContact CD1-CB 3.72Å; A122-F132 HydrophobicContact CB-CB 3.58Å; A122-F132 HydrophobicContact CB-CD2 3.68Å; A122-F132 HydrophobicContact CB-CG 3.77Å; A122-F137 HydrophobicContact CB-CB 3.86Å; A122-W174 WeakPolarHBondContact O-CZ2 3.24Å; A122-W174 PolarHBondContact O-NE1 3.34Å; A122-K181 PolarHBondContact N-O 2.95Å; A122-L183 PolarHBondContact O-N 3.4Å
123A98.6Very high97.6Very high0 Ų047.2 Ų47.20%025%0.249CC..EExtended strand (participates in β ladder)trans-88.3151.4176.200000110.8F132 N133 L183 N188A123-F132 CarbonylContact O-C 3.48Å; A123-F132 WeakPolarHBondContact O-CA 3.44Å; A123-N133 PolarHBondContact O-N 3.46Å; A123-L183 HydrophobicContact CB-CB 4.19Å; A123-N188 HydrophobicContact CB-CB 3.57Å
124P98.1Very high97.6Very high33 Ų3345 Ų4521%0.21424%0.239CC..EExtended strand (participates in β ladder)trans-59.5143.1175-19.529.1000112.9W174P124-W174 HydrophobicContact CB-CH2 3.98Å; P124-W174 HydrophobicContact CG-CH2 3.89Å; P124-W174 HydrophobicContact CG-CZ2 4.34Å
125D96.9Very high97.6Very high23 Ų2345 Ų4512%0.12324%0.239CC..PPolyproline II helixtrans-74.8133.7169.5-176.283.1000110.6G127 W128 P129 C131 N133 Q164D125-G127 VanDerWaalsContact C-N 3.26Å; D125-G127 PolarHBondContact O-N 2.88Å; D125-G127 VanDerWaalsContact OD2-CA 3.3Å; D125-G127 WeakPolarHBondContact OD2-CA 3.09Å; D125-G127 PolarHBondContact OD2-N 3.37Å; D125-W128 CarbonylContact O-C 3.46Å; D125-W128 PolarHBondContact OD2-N 3.07Å; D125-W128 VanDerWaalsContact OD2-N 3.1Å; D125-P129 VanDerWaalsContact O-CA 3.32Å; D125-P129 WeakPolarHBondContact O-CA 3.39Å; D125-C131 HydrophobicContact CB-CB 4.46Å; D125-C131 WeakPolarHBondContact CB-O 3.43Å; D125-C131 PolarHBondContact N-O 3.29Å; D125-N133 HydrophobicContact CB-CB 4.23Å; D125-N133 PolarHBondContact OD1-ND2 3.12Å; D125-Q164 PolarHBondContact OD1-NE2 3Å
126P91.9Very high97.6Very high57 Ų5744.5 Ų44.537%0.3724%0.237SC..SBendtrans-71.8-18.6-177.830.1-37.4000113.8F185 A193P126-F185 HydrophobicContact CB-CE2 4.41Å; P126-F185 HydrophobicContact CB-CZ 4.22Å; P126-A193 HydrophobicContact CB-CB 4.5Å
127G92.1Very high97.6Very high64 Ų6437 Ų3766%0.6620%0.202SC*.SBendtrans-81.2-52.2177.400000111.7D125D125-G127 VanDerWaalsContact C-N 3.26Å; D125-G127 PolarHBondContact O-N 2.88Å; D125-G127 VanDerWaalsContact OD2-CA 3.3Å; D125-G127 WeakPolarHBondContact OD2-CA 3.09Å; D125-G127 PolarHBondContact OD2-N 3.37Å
128W96.4Very high97.7Very high175 Ų17533.5 Ų33.566%0.66319%0.189SC*.SBendtrans-129.197.8176.6-165.4-84.4000110.3D125 D130 C131D125-W128 CarbonylContact O-C 3.46Å; D125-W128 PolarHBondContact OD2-N 3.07Å; D125-W128 VanDerWaalsContact OD2-N 3.1Å; W128-D130 VanDerWaalsContact C-N 3.26Å; W128-D130 PolarHBondContact O-N 3.48Å; W128-C131 WeakPolarHBondContact O-CA 3.38Å; W128-C131 WeakPolarHBondContact O-CB 3.36Å; W128-C131 PolarHBondContact O-N 3.48Å
129P96.3Very high97.7Very high82 Ų8229.9 Ų29.953%0.53217%0.172SC..THydrogen-bonded Turntrans-71-13.7-166.227.1-35.6000115.5D125D125-P129 VanDerWaalsContact O-CA 3.32Å; D125-P129 WeakPolarHBondContact O-CA 3.39Å
130D98.1Very high97.7Very high110 Ų11033.3 Ų33.359%0.58818%0.183SC*.THydrogen-bonded Turntrans-78.5-8.9169.5-71.6-1.9000112.1W128 A175W128-D130 VanDerWaalsContact C-N 3.26Å; W128-D130 PolarHBondContact O-N 3.48Å; D130-A175 HydrophobicContact CB-CB 4.19Å; D130-A175 WeakPolarHBondContact O-CB 3.23Å
131C98.4Very high97.7Very high23 Ų2333.9 Ų33.916%0.15519%0.187CC..SBendtrans-97142.9165.1-67.70000109D125 W128 N168D125-C131 HydrophobicContact CB-CB 4.46Å; D125-C131 WeakPolarHBondContact CB-O 3.43Å; D125-C131 PolarHBondContact N-O 3.29Å; W128-C131 WeakPolarHBondContact O-CA 3.38Å; W128-C131 WeakPolarHBondContact O-CB 3.36Å; W128-C131 PolarHBondContact O-N 3.48Å; C131-N168 WeakPolarHBondContact CA-OD1 3.44Å; C131-N168 WeakPolarHBondContact CB-OD1 3.49Å
132F98.6Very high97.7Very high0 Ų035.4 Ų35.40%020%0.197CC..EExtended strand (participates in β ladder)trans-84.2150.3165.559.7-95.4000111.1L120 A122 A123 L167 N168 F171 W174L120-F132 HydrophobicContact CD1-CD1 4.19Å; L120-F132 HydrophobicContact CD1-CD2 4.12Å; L120-F132 HydrophobicContact CD1-CE1 3.92Å; L120-F132 HydrophobicContact CD1-CE2 3.86Å; L120-F132 HydrophobicContact CD1-CG 4.27Å; L120-F132 HydrophobicContact CD1-CZ 3.73Å; L120-F132 HydrophobicContact CG-CZ 4.27Å; A122-F132 HydrophobicContact CB-CB 3.58Å; A122-F132 HydrophobicContact CB-CD2 3.68Å; A122-F132 HydrophobicContact CB-CG 3.77Å; A123-F132 CarbonylContact O-C 3.48Å; A123-F132 WeakPolarHBondContact O-CA 3.44Å; F132-L167 HydrophobicContact CE2-CB 3.83Å; F132-L167 VanDerWaalsContact CZ-C 3.46Å; F132-L167 HydrophobicContact CZ-CB 3.79Å; F132-L167 WeakPolarHBondContact CZ-O 3.46Å; F132-N168 WeakPolarHBondContact CD1-OD1 3.37Å; F132-N168 HydrophobicContact CE1-CB 4.32Å; F132-N168 WeakPolarHBondContact CE1-OD1 3.39Å; F132-N168 PolarHBondContact N-OD1 3.01Å; F132-N168 PolarHBondContact O-ND2 3.2Å; F132-F171 HydrophobicContact CE1-CB 4.09Å; F132-F171 HydrophobicContact CZ-CB 4.24Å; F132-F171 HydrophobicContact CZ-CD2 4.49Å; F132-W174 HydrophobicContact CB-CD2 3.74Å; F132-W174 HydrophobicContact CB-CE3 3.91Å; F132-W174 HydrophobicContact CB-CG 4.38Å; F132-W174 HydrophobicContact CB-CH2 3.96Å; F132-W174 HydrophobicContact CB-CZ2 3.77Å; F132-W174 HydrophobicContact CB-CZ3 4.02Å; F132-W174 HydrophobicContact CD1-CB 3.74Å; F132-W174 AromaticContact CD1-CD2 3.61Å; F132-W174 HydrophobicContact CD1-CD2 3.61Å; F132-W174 AromaticContact CD1-CE3 3.93Å; F132-W174 HydrophobicContact CD1-CE3 3.93Å; F132-W174 AromaticContact CD1-CG 3.49Å; F132-W174 HydrophobicContact CD1-CG 3.49Å; F132-W174 VanDerWaalsContact CD1-CG 3.49Å; F132-W174 HydrophobicContact CE1-CB 3.98Å; F132-W174 HydrophobicContact CE1-CG 4.16Å; F132-W174 HydrophobicContact CG-CD2 4.13Å; F132-W174 HydrophobicContact CG-CE3 4.44Å; F132-W174 HydrophobicContact CG-CG 4.3Å
133N98.6Very high97.6Very high6 Ų640 Ų403%0.03223%0.225CC..EExtended strand (participates in β ladder)trans-81.2125.2171-174.2-89.1000110.2A123 D125 G135 Q164 N188 H212A123-N133 PolarHBondContact O-N 3.46Å; D125-N133 HydrophobicContact CB-CB 4.23Å; D125-N133 PolarHBondContact OD1-ND2 3.12Å; N133-G135 PolarHBondContact O-N 2.91Å; N133-G135 WeakPolarHBondContact OD1-CA 3.27Å; N133-G135 PolarHBondContact OD1-N 3.26Å; N133-Q164 VanDerWaalsContact CA-OE1 3.31Å; N133-Q164 PolarHBondContact ND2-OE1 3.36Å; N133-N188 WeakPolarHBondContact CB-ND2 3.24Å; N133-N188 PolarHBondContact OD1-ND2 3.31Å; N133-H212 PolarHBondContact OD1-CE1 3.2Å; N133-H212 PolarHBondContact OD1-ND1 2.87Å
134S98.6Very high97.5Very high4 Ų445.9 Ų45.93%0.02825%0.253CS..EExtended strand (participates in β ladder)trans-816.8-176.865.10000114.4K86 F137 D163 Q164K86-S134 PolarHBondContact NZ-O 3.31Å; S134-F137 VanDerWaalsContact O-CD1 3.31Å; S134-F137 WeakPolarHBondContact O-CD1 3.4Å; S134-F137 WeakPolarHBondContact O-CE1 3.23Å; S134-D163 VanDerWaalsContact CB-OD2 3.23Å; S134-D163 WeakPolarHBondContact CB-OD2 3.26Å; S134-D163 PolarHBondContact OG-OD2 3.3Å; S134-Q164 WeakPolarHBondContact OG-CA 3.47Å; S134-Q164 VanDerWaalsContact OG-CB 3.32Å; S134-Q164 WeakPolarHBondContact OG-CB 3.36Å
135G98.4Very high97.5Very high0 Ų045.2 Ų45.20%025%0.248CC..EExtended strand (participates in β ladder)trans-71.7-28.3177.700000114.5M101 D102 N133M101-G135 CarbonylContact C-O 3.39Å; M101-G135 VanDerWaalsContact CA-O 3.26Å; M101-G135 WeakPolarHBondContact CA-O 3.4Å; D102-G135 PolarHBondContact N-O 3.49Å; D102-G135 VanDerWaalsContact OD2-CA 3.24Å; D102-G135 WeakPolarHBondContact OD2-CA 3.32Å; N133-G135 PolarHBondContact O-N 2.91Å; N133-G135 WeakPolarHBondContact OD1-CA 3.27Å; N133-G135 PolarHBondContact OD1-N 3.26Å
136V98.9Very high97.5Very high0 Ų045.1 Ų45.10%025%0.247CC..EExtended strand (participates in β ladder)trans-142.1119.1173.4-177.90000109.2V99 F100 M101 T105 L114 N188 V210V99-V136 HydrophobicContact CG1-CG1 4.24Å; F100-V136 VanDerWaalsContact O-CA 3.32Å; F100-V136 WeakPolarHBondContact O-CA 3.31Å; M101-V136 HydrophobicContact CE-CG2 4.1Å; M101-V136 HydrophobicContact CG-CG1 4.39Å; M101-V136 HydrophobicContact CG-CG2 4.43Å; T105-V136 HydrophobicContact CG2-CG2 4.12Å; L114-V136 HydrophobicContact CD1-CG1 4.44Å; V136-N188 HydrophobicContact CB-CB 4.03Å; V136-N188 HydrophobicContact CG2-CB 4.07Å; V136-N188 PolarHBondContact N-ND2 2.87Å; V136-V210 HydrophobicContact CG2-CG1 4.21Å
137F98.9Very high97.6Very high0 Ų043.9 Ų43.90%025%0.245CC..EExtended strand (participates in β ladder)trans-150.5151176.463.9-94.6000113.1W90 V99 F100 L120 S121 A122 S134 F139 L167W90-F137 HydrophobicContact CH2-CD2 4.38Å; W90-F137 AromaticContact CH2-CE2 3.45Å; W90-F137 HydrophobicContact CH2-CE2 3.45Å; W90-F137 VanDerWaalsContact CH2-CE2 3.45Å; W90-F137 AromaticContact CH2-CZ 3.79Å; W90-F137 HydrophobicContact CH2-CZ 3.79Å; W90-F137 HydrophobicContact CZ2-CE2 4.03Å; W90-F137 HydrophobicContact CZ3-CE2 4.04Å; W90-F137 HydrophobicContact CZ3-CZ 4.03Å; V99-F137 CarbonylContact C-O 3Å; V99-F137 WeakPolarHBondContact CA-O 3.42Å; F100-F137 HydrophobicContact CB-CD1 3.95Å; F100-F137 HydrophobicContact CB-CD2 4.01Å; F100-F137 HydrophobicContact CB-CE1 3.54Å; F100-F137 HydrophobicContact CB-CE2 3.59Å; F100-F137 HydrophobicContact CB-CG 4.18Å; F100-F137 HydrophobicContact CB-CZ 3.34Å; F100-F137 HydrophobicContact CD1-CD1 4.22Å; F100-F137 AromaticContact CD1-CE1 3.55Å; F100-F137 HydrophobicContact CD1-CE1 3.55Å; F100-F137 HydrophobicContact CD1-CZ 4Å; F100-F137 HydrophobicContact CD2-CZ 4.21Å; F100-F137 HydrophobicContact CG-CD1 4.39Å; F100-F137 AromaticContact CG-CE1 3.61Å; F100-F137 HydrophobicContact CG-CE1 3.61Å; F100-F137 HydrophobicContact CG-CE2 4.3Å; F100-F137 AromaticContact CG-CZ 3.56Å; F100-F137 HydrophobicContact CG-CZ 3.56Å; F100-F137 PolarHBondContact N-O 2.9Å; F100-F137 PolarHBondContact O-N 3.42Å; F100-F137 VanDerWaalsContact O-N 3.11Å; L120-F137 HydrophobicContact CD1-CB 4.44Å; L120-F137 HydrophobicContact CD2-CB 3.83Å; L120-F137 HydrophobicContact CD2-CD2 3.55Å; L120-F137 HydrophobicContact CD2-CE2 4.41Å; L120-F137 HydrophobicContact CD2-CG 3.95Å; S121-F137 CarbonylContact O-C 3.49Å; S121-F137 WeakPolarHBondContact O-CA 3.25Å; A122-F137 HydrophobicContact CB-CB 3.86Å; S134-F137 VanDerWaalsContact O-CD1 3.31Å; S134-F137 WeakPolarHBondContact O-CD1 3.4Å; S134-F137 WeakPolarHBondContact O-CE1 3.23Å; F137-F139 HydrophobicContact CD2-CB 3.96Å; F137-F139 AromaticContact CD2-CD1 3.83Å; F137-F139 HydrophobicContact CD2-CD1 3.83Å; F137-F139 HydrophobicContact CD2-CG 4.21Å; F137-F139 HydrophobicContact CE2-CB 3.95Å; F137-F139 AromaticContact CE2-CD1 3.5Å; F137-F139 HydrophobicContact CE2-CD1 3.5Å; F137-F139 HydrophobicContact CE2-CE1 4.19Å; F137-F139 AromaticContact CE2-CG 3.84Å; F137-F139 HydrophobicContact CE2-CG 3.84Å; F137-L167 HydrophobicContact CE1-CD1 3.99Å; F137-L167 HydrophobicContact CZ-CD1 4.21Å
138V98.9Very high97.9Very high0 Ų045.3 Ų45.30%023%0.233CC..EExtended strand (participates in β ladder)trans-98.2129.3175.8-1690000109.1K97 C98 V99 L114 R117 L120 S121 L183K97-V138 HydrophobicContact CD-CG1 3.92Å; K97-V138 HydrophobicContact CG-CG1 3.97Å; C98-V138 WeakPolarHBondContact O-CA 3.22Å; V99-V138 HydrophobicContact CG2-CG1 4.45Å; V99-V138 HydrophobicContact CG2-CG2 4.12Å; L114-V138 HydrophobicContact CB-CG2 4.27Å; R117-V138 HydrophobicContact CB-CB 4.32Å; R117-V138 HydrophobicContact CB-CG1 4.31Å; R117-V138 HydrophobicContact CB-CG2 4.04Å; L120-V138 WeakPolarHBondContact CD2-O 3.47Å; S121-V138 PolarHBondContact N-O 3.45Å; S121-V138 PolarHBondContact O-N 3.45Å; V138-L183 HydrophobicContact CG2-CD1 4.39Å
139F98.9Very high97.8Very high0 Ų037 Ų370%020%0.201CC..EExtended strand (participates in β ladder)trans-144.1167.2-175.874.5-79.3000112V7 C89 W90 C98 F100 E119 F137 P141V7-F139 HydrophobicContact CG2-CZ 4.35Å; C89-F139 HydrophobicContact CB-CE2 4.24Å; C89-F139 HydrophobicContact CB-CZ 3.74Å; C89-F139 WeakPolarHBondContact O-CE2 3.22Å; W90-F139 AromaticContact CD1-CD2 3.87Å; W90-F139 AromaticContact CD2-CD2 3.94Å; W90-F139 HydrophobicContact CD2-CD2 3.94Å; W90-F139 HydrophobicContact CD2-CE2 4.34Å; W90-F139 AromaticContact CE2-CD2 3.68Å; W90-F139 HydrophobicContact CG-CD2 4.06Å; W90-F139 HydrophobicContact CG-CE2 4.31Å; W90-F139 HydrophobicContact CZ2-CB 3.76Å; W90-F139 HydrophobicContact CZ2-CD2 4.16Å; W90-F139 HydrophobicContact CZ2-CG 4.14Å; W90-F139 AromaticContact NE1-CD2 3.62Å; C98-F139 HydrophobicContact CB-CD1 3.89Å; C98-F139 HydrophobicContact CB-CE1 3.23Å; C98-F139 HydrophobicContact CB-CE2 3.97Å; C98-F139 HydrophobicContact CB-CG 4.5Å; C98-F139 HydrophobicContact CB-CZ 3.29Å; C98-F139 PolarHBondContact N-O 3.03Å; C98-F139 WeakPolarHBondContact O-CD1 3.44Å; C98-F139 PolarHBondContact O-N 2.95Å; F100-F139 HydrophobicContact CB-CD1 4.12Å; F100-F139 HydrophobicContact CB-CE1 3.79Å; E119-F139 HydrophobicContact CG-CB 4.38Å; E119-F139 WeakPolarHBondContact OE2-CB 3.35Å; F137-F139 HydrophobicContact CD2-CB 3.96Å; F137-F139 AromaticContact CD2-CD1 3.83Å; F137-F139 HydrophobicContact CD2-CD1 3.83Å; F137-F139 HydrophobicContact CD2-CG 4.21Å; F137-F139 HydrophobicContact CE2-CB 3.95Å; F137-F139 AromaticContact CE2-CD1 3.5Å; F137-F139 HydrophobicContact CE2-CD1 3.5Å; F137-F139 HydrophobicContact CE2-CE1 4.19Å; F137-F139 AromaticContact CE2-CG 3.84Å; F137-F139 HydrophobicContact CE2-CG 3.84Å; F139-P141 HydrophobicContact CD2-CG 4.39Å; F139-P141 HydrophobicContact CE2-CB 4.48Å; F139-P141 HydrophobicContact CE2-CG 3.82Å; F139-P141 HydrophobicContact CZ-CG 4.49Å
140R98.7Very high97.6Very high117 Ų11733.3 Ų33.344%0.44218%0.177SC..  trans-115.2112.3176-70.8-179.2173.8-136.4-2.3108.9W90 E118 E119 S142W90-R140 VanDerWaalsContact CD1-O 3.27Å; E118-R140 IonicContact OE1-NH2 3.83Å; E118-R140 PolarHBondContact OE1-NH2 2.88Å; E118-R140 VanDerWaalsContact OE1-NH2 3.09Å; E118-R140 IonicContact OE2-CZ 2.76Å; E118-R140 IonicContact OE2-NE 2.81Å; E118-R140 PolarHBondContact OE2-NE 3.49Å; E118-R140 IonicContact OE2-NH2 3.84Å; E118-R140 PolarHBondContact OE2-NH2 2.86Å; E119-R140 HydrophobicContact CB-CB 4.48Å; E119-R140 HydrophobicContact CB-CG 4.24Å; E119-R140 PolarHBondContact OE2-N 3.08Å; R140-S142 PolarHBondContact O-N 2.91Å
141P98.5Very high97.3Very high17 Ų1733 Ų3311%0.1117%0.172CC..  trans-53.2127.9175.5-26.534.8000111.9W90 L92 C98 F139W90-P141 CarbonylContact O-C 3.55Å; W90-P141 WeakPolarHBondContact O-CA 3.41Å; L92-P141 HydrophobicContact CB-CB 4.46Å; L92-P141 HydrophobicContact CB-CG 4.45Å; L92-P141 VanDerWaalsContact O-CB 3.22Å; L92-P141 WeakPolarHBondContact O-CB 3.42Å; L92-P141 WeakPolarHBondContact O-CG 3.44Å; C98-P141 HydrophobicContact CB-CG 4.3Å; F139-P141 HydrophobicContact CD2-CG 4.39Å; F139-P141 HydrophobicContact CE2-CB 4.48Å; F139-P141 HydrophobicContact CE2-CG 3.82Å; F139-P141 HydrophobicContact CZ-CG 4.49Å
142S98.2Very high97Very high32 Ų3234.5 Ų34.522%0.22418%0.175CC..  trans-157.1124.2-177.6170.70000109.6W90 R140 E144 T145 H146W90-S142 CarbonylContact O-C 3.55Å; W90-S142 PolarHBondContact O-N 3.45Å; R140-S142 PolarHBondContact O-N 2.91Å; S142-E144 PolarHBondContact O-N 3.08Å; S142-E144 PolarHBondContact OG-N 2.92Å; S142-T145 WeakPolarHBondContact CB-OG1 3.47Å; S142-T145 PolarHBondContact O-N 3.32Å; S142-T145 PolarHBondContact OG-N 3.42Å; S142-T145 PolarHBondContact OG-OG1 2.82Å; S142-H146 WeakPolarHBondContact O-CB 3.46Å; S142-H146 PolarHBondContact O-N 3.22Å
143V97.1Very high96.6Very high96 Ų9634.5 Ų34.558%0.58218%0.175SC*.Hα-helixtrans-61.3-33.5173.7179.20000110.8T93 G147T93-V143 HydrophobicContact CG2-CG2 3.86Å; V143-G147 PolarHBondContact O-N 2.88Å
144E97.8Very high96Very high124 Ų12436.2 Ų36.258%0.57919%0.186SC*.Hα-helixtrans-65.7-49176.2-173.8-172.5164.300111.2S142 H146 G147 K148S142-E144 PolarHBondContact O-N 3.08Å; S142-E144 PolarHBondContact OG-N 2.92Å; E144-H146 VanDerWaalsContact C-N 3.32Å; E144-H146 PolarHBondContact O-N 2.85Å; E144-G147 PolarHBondContact O-N 3.33Å; E144-K148 HydrophobicContact CG-CD 4.48Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 3.44Å; E144-K148 VanDerWaalsContact OE1-CE 3.24Å; E144-K148 WeakPolarHBondContact OE1-CE 3.32Å; E144-K148 IonicContact OE1-NZ 2.67Å; E144-K148 PolarHBondContact OE1-NZ 3.2Å
145T98.1Very high95.6Very high20 Ų2041.7 Ų41.712%0.12321%0.211CC..Hα-helixtrans-62.6-41.5177.9-55.20000110.8W90 S142 G147 K148 L149 F170 F171W90-T145 HydrophobicContact CG-CG2 4.33Å; S142-T145 WeakPolarHBondContact CB-OG1 3.47Å; S142-T145 PolarHBondContact O-N 3.32Å; S142-T145 PolarHBondContact OG-N 3.42Å; S142-T145 PolarHBondContact OG-OG1 2.82Å; T145-G147 PolarHBondContact O-N 3.45Å; T145-K148 PolarHBondContact O-N 2.79Å; T145-L149 HydrophobicContact CG2-CD1 3.93Å; T145-L149 WeakPolarHBondContact O-CB 3.33Å; T145-L149 WeakPolarHBondContact O-CG 3.37Å; T145-L149 PolarHBondContact O-N 3.04Å; T145-F170 HydrophobicContact CG2-CE1 4.18Å; T145-F171 HydrophobicContact CG2-CZ 4.24Å
146H96.1Very high95.2Very high20 Ų2047.2 Ų47.29%0.09324%0.236CC..Hα-helixtrans-57-49.8173.2179-112.7000112.1L87 H88 W90 T91 S142 E144 K148 L149 L150L87-H146 PolarHBondContact O-CD2 2.86Å; L87-H146 VanDerWaalsContact O-CD2 3.23Å; H88-H146 AromaticContact ND1-NE2 3.84Å; W90-H146 HydrophobicContact CB-CB 3.85Å; T91-H146 HydrophobicContact CG2-CB 4.4Å; S142-H146 WeakPolarHBondContact O-CB 3.46Å; S142-H146 PolarHBondContact O-N 3.22Å; E144-H146 VanDerWaalsContact C-N 3.32Å; E144-H146 PolarHBondContact O-N 2.85Å; H146-K148 VanDerWaalsContact C-N 3.33Å; H146-K148 PolarHBondContact O-N 3.42Å; H146-L149 PolarHBondContact O-N 3.4Å; H146-L150 VanDerWaalsContact CE1-CD1 3.47Å; H146-L150 WeakPolarHBondContact CE1-CD1 3.47Å; H146-L150 WeakPolarHBondContact O-CG 3.4Å; H146-L150 PolarHBondContact O-N 3.14Å
147G95.1Very high94.8Very high32 Ų3247.3 Ų47.333%0.3324%0.237SC..Hα-helixtrans-59.1-42.517800000112.8V143 E144 T145 L150 Q151V143-G147 PolarHBondContact O-N 2.88Å; E144-G147 PolarHBondContact O-N 3.33Å; T145-G147 PolarHBondContact O-N 3.45Å; G147-L150 PolarHBondContact O-N 3.47Å; G147-Q151 WeakPolarHBondContact O-CB 3.39Å; G147-Q151 PolarHBondContact O-N 3.13Å
148K96.6Very high94.5Very high94 Ų9448 Ų4841%0.40924%0.242SC..Hα-helixtrans-65.6-38.3176.2-69177.4-177168.90112.7E144 T145 H146 Q151 Y152 F170E144-K148 HydrophobicContact CG-CD 4.48Å; E144-K148 WeakPolarHBondContact O-CG 3.48Å; E144-K148 PolarHBondContact O-N 3.44Å; E144-K148 VanDerWaalsContact OE1-CE 3.24Å; E144-K148 WeakPolarHBondContact OE1-CE 3.32Å; E144-K148 IonicContact OE1-NZ 2.67Å; E144-K148 PolarHBondContact OE1-NZ 3.2Å; T145-K148 PolarHBondContact O-N 2.79Å; H146-K148 VanDerWaalsContact C-N 3.33Å; H146-K148 PolarHBondContact O-N 3.42Å; K148-Q151 PolarHBondContact O-N 3.01Å; K148-Y152 WeakPolarHBondContact O-CB 3.31Å; K148-Y152 PolarHBondContact O-N 3.07Å; K148-F170 HydrophobicContact CB-CE2 3.65Å; K148-F170 HydrophobicContact CB-CZ 3.72Å; K148-F170 HydrophobicContact CD-CZ 4.4Å
149L95.9Very high94.1Very high0 Ų054.6 Ų54.60%027%0.271CS..Hα-helixtrans-64.6-43.2174.5-77.4161.2000111.6L87 W90 T145 H146 Q151 Y152 C153 V166 L167 F170 F171L87-L149 HydrophobicContact CD1-CB 4.17Å; L87-L149 HydrophobicContact CD2-CB 4.35Å; L87-L149 HydrophobicContact CD2-CD1 4.17Å; L87-L149 HydrophobicContact CD2-CD2 4.38Å; W90-L149 HydrophobicContact CD2-CD1 3.71Å; W90-L149 HydrophobicContact CE3-CD1 3.67Å; W90-L149 HydrophobicContact CG-CD1 4.33Å; W90-L149 HydrophobicContact CH2-CD1 4.16Å; W90-L149 HydrophobicContact CZ2-CD1 4.17Å; W90-L149 HydrophobicContact CZ3-CD1 3.91Å; T145-L149 HydrophobicContact CG2-CD1 3.93Å; T145-L149 WeakPolarHBondContact O-CB 3.33Å; T145-L149 WeakPolarHBondContact O-CG 3.37Å; T145-L149 PolarHBondContact O-N 3.04Å; H146-L149 PolarHBondContact O-N 3.4Å; L149-Q151 PolarHBondContact O-N 3.22Å; L149-Y152 WeakPolarHBondContact O-CB 3.27Å; L149-Y152 PolarHBondContact O-N 3.07Å; L149-C153 PolarHBondContact O-N 3.04Å; L149-C153 PolarHBondContact O-SG 2.99Å; L149-V166 HydrophobicContact CD2-CG1 4.29Å; L149-L167 HydrophobicContact CD2-CD2 3.94Å; L149-F170 HydrophobicContact CD2-CB 3.74Å; L149-F170 HydrophobicContact CD2-CD1 3.59Å; L149-F170 HydrophobicContact CD2-CD2 3.97Å; L149-F170 HydrophobicContact CD2-CE1 4.17Å; L149-F170 HydrophobicContact CD2-CG 3.47Å; L149-F170 VanDerWaalsContact CD2-CG 3.47Å; L149-F170 HydrophobicContact CG-CD1 4.13Å; L149-F170 HydrophobicContact CG-CD2 4.4Å; L149-F170 HydrophobicContact CG-CE1 4.19Å; L149-F170 HydrophobicContact CG-CE2 4.48Å; L149-F170 HydrophobicContact CG-CG 4.22Å; L149-F170 HydrophobicContact CG-CZ 4.37Å; L149-F171 HydrophobicContact CD2-CE2 4.48Å
150L91.2Very high93.6Very high5 Ų558.3 Ų58.33%0.02629%0.291CS..Hα-helixtrans-63.8-40.2175.3-65.9-177.4000112.5A70 F84 L87 H146 G147 C153 T154A70-L150 HydrophobicContact CB-CD1 3.81Å; A70-L150 HydrophobicContact CB-CD2 4.19Å; F84-L150 HydrophobicContact CD1-CD2 3.53Å; F84-L150 HydrophobicContact CE1-CD2 3.85Å; L87-L150 HydrophobicContact CD1-CD2 4.21Å; H146-L150 VanDerWaalsContact CE1-CD1 3.47Å; H146-L150 WeakPolarHBondContact CE1-CD1 3.47Å; H146-L150 WeakPolarHBondContact O-CG 3.4Å; H146-L150 PolarHBondContact O-N 3.14Å; G147-L150 PolarHBondContact O-N 3.47Å; L150-C153 PolarHBondContact O-N 3.48Å; L150-T154 PolarHBondContact O-N 3.46Å; L150-T154 VanDerWaalsContact O-N 3.08Å; L150-T154 PolarHBondContact O-OG1 3.35Å
151Q91.5Very high93.1Very high104 Ų10454.5 Ų54.549%0.48629%0.288SS..Hα-helixtrans-62.1-46.3173.5-177.8176.8-300110.6G147 K148 L149 C153 T154 E155G147-Q151 WeakPolarHBondContact O-CB 3.39Å; G147-Q151 PolarHBondContact O-N 3.13Å; K148-Q151 PolarHBondContact O-N 3.01Å; L149-Q151 PolarHBondContact O-N 3.22Å; Q151-C153 PolarHBondContact O-N 3.24Å; Q151-T154 WeakPolarHBondContact O-CB 3.43Å; Q151-T154 PolarHBondContact O-N 3.48Å; Q151-E155 HydrophobicContact CG-CG 4.36Å; Q151-E155 VanDerWaalsContact CG-OE1 3.29Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.34Å; Q151-E155 PolarHBondContact NE2-OE1 3.2Å; Q151-E155 WeakPolarHBondContact O-CG 3.49Å; Q151-E155 PolarHBondContact O-N 3.12Å
152Y93.3Very high92.6Very high53 Ų5354.6 Ų54.621%0.20829%0.292CS..Hα-helixtrans-57.3-47.6176.3-172.8-81.3000111.7K148 L149 T154 E155 H156 V166 G169 F170K148-Y152 WeakPolarHBondContact O-CB 3.31Å; K148-Y152 PolarHBondContact O-N 3.07Å; L149-Y152 WeakPolarHBondContact O-CB 3.27Å; L149-Y152 PolarHBondContact O-N 3.07Å; Y152-T154 PolarHBondContact O-N 2.75Å; Y152-E155 PolarHBondContact O-N 3.3Å; Y152-H156 HydrophobicContact CD1-CB 4.19Å; Y152-H156 AromaticContact CD2-ND1 3.64Å; Y152-H156 HydrophobicContact CE1-CB 3.77Å; Y152-H156 HydrophobicContact CE2-CB 4.24Å; Y152-H156 AromaticContact CE2-CG 3.92Å; Y152-H156 AromaticContact CE2-ND1 3.75Å; Y152-H156 AromaticContact CZ-CG 3.95Å; Y152-H156 WeakPolarHBondContact O-CB 3.29Å; Y152-H156 PolarHBondContact O-N 2.9Å; Y152-V166 HydrophobicContact CD1-CG1 4.11Å; Y152-G169 WeakPolarHBondContact OH-CA 3.28Å; Y152-F170 HydrophobicContact CD2-CB 4.45Å; Y152-F170 HydrophobicContact CD2-CD2 4.1Å; Y152-F170 HydrophobicContact CG-CB 4.41Å; Y152-F170 HydrophobicContact CG-CD2 4.15Å
153C89.7Confident92.5Very high0 Ų054.3 Ų54.30%029%0.288CS..Hα-helixtrans-55.8-38.6174.5-70.40000112.4F84 L149 L150 Q151 G157 V166F84-C153 HydrophobicContact CE1-CB 3.6Å; F84-C153 HydrophobicContact CZ-CB 3.81Å; L149-C153 PolarHBondContact O-N 3.04Å; L149-C153 PolarHBondContact O-SG 2.99Å; L150-C153 PolarHBondContact O-N 3.48Å; Q151-C153 PolarHBondContact O-N 3.24Å; C153-G157 WeakPolarHBondContact O-CA 3.15Å; C153-G157 PolarHBondContact O-N 3.18Å; C153-V166 WeakPolarHBondContact SG-CG1 3.25Å
154T86Confident92.4Very high43 Ų4351.3 Ų51.326%0.26427%0.268SS..Hα-helixtrans-72-39.1-178.5-590000112.2A73 K76 L150 Q151 Y152A73-T154 VanDerWaalsContact CB-OG1 3.29Å; A73-T154 WeakPolarHBondContact CB-OG1 3.41Å; K76-T154 HydrophobicContact CD-CG2 3.59Å; L150-T154 PolarHBondContact O-N 3.46Å; L150-T154 VanDerWaalsContact O-N 3.08Å; L150-T154 PolarHBondContact O-OG1 3.35Å; Q151-T154 WeakPolarHBondContact O-CB 3.43Å; Q151-T154 PolarHBondContact O-N 3.48Å; Y152-T154 PolarHBondContact O-N 2.75Å
155E90.3Very high92.3Very high119 Ų11945.4 Ų45.456%0.55624%0.241SC*.Hα-helixtrans-84.8-40.6-175.4-70.7173.7179.700112.8Q151 Y152Q151-E155 HydrophobicContact CG-CG 4.36Å; Q151-E155 VanDerWaalsContact CG-OE1 3.29Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.34Å; Q151-E155 PolarHBondContact NE2-OE1 3.2Å; Q151-E155 WeakPolarHBondContact O-CG 3.49Å; Q151-E155 PolarHBondContact O-N 3.12Å; Y152-E155 PolarHBondContact O-N 3.3Å
156H90.4Very high92.2Very high115 Ų11544.5 Ų44.553%0.53224%0.235SC..Hα-helixtrans-115.6-21.4-169.8-54.688.5000112.8Y152Y152-H156 HydrophobicContact CD1-CB 4.19Å; Y152-H156 AromaticContact CD2-ND1 3.64Å; Y152-H156 HydrophobicContact CE1-CB 3.77Å; Y152-H156 HydrophobicContact CE2-CB 4.24Å; Y152-H156 AromaticContact CE2-CG 3.92Å; Y152-H156 AromaticContact CE2-ND1 3.75Å; Y152-H156 AromaticContact CZ-CG 3.95Å; Y152-H156 WeakPolarHBondContact O-CB 3.29Å; Y152-H156 PolarHBondContact O-N 2.9Å
157G90.1Very high92.3Very high2 Ų243.6 Ų43.62%0.02123%0.231CC..  trans68.2-146.9-171.900000113C153C153-G157 WeakPolarHBondContact O-CA 3.15Å; C153-G157 PolarHBondContact O-N 3.18Å
158S92.4Very high92.5Very high14 Ų1442.8 Ų42.810%0.09822%0.219CC..  trans-128.4134.3171.8-171.10000110.2D160 G161 G162 G165 V166S158-D160 VanDerWaalsContact C-N 3.27Å; S158-D160 PolarHBondContact O-N 2.81Å; S158-D160 PolarHBondContact OG-OD1 3.41Å; S158-G161 PolarHBondContact O-N 3.36Å; S158-G162 WeakPolarHBondContact CB-O 3.49Å; S158-G162 PolarHBondContact OG-N 2.84Å; S158-G162 PolarHBondContact OG-O 3.1Å; S158-G165 VanDerWaalsContact OG-CA 3.3Å; S158-G165 WeakPolarHBondContact OG-CA 3.46Å; S158-V166 PolarHBondContact OG-N 3.31Å
159F90.8Very high92.6Very high140 Ų14039.1 Ų39.161%0.61421%0.208SC*.SBendtrans-70.8-24179.667.8-109.3000113.1G165 N168F159-G165 WeakPolarHBondContact CD1-O 3.44Å; F159-G165 WeakPolarHBondContact CE1-O 3.41Å; F159-N168 HydrophobicContact CE1-CB 4.09Å; F159-N168 HydrophobicContact CZ-CB 4.36Å
160D87.5Confident92.7Very high77 Ų7741.8 Ų41.841%0.41222%0.22SC..SBendtrans-106.51.7177.569-4.7000112.8S158 G162 Q164 G165S158-D160 VanDerWaalsContact C-N 3.27Å; S158-D160 PolarHBondContact O-N 2.81Å; S158-D160 PolarHBondContact OG-OD1 3.41Å; D160-G162 PolarHBondContact O-N 3.23Å; D160-G162 WeakPolarHBondContact OD1-CA 3.44Å; D160-G162 PolarHBondContact OD1-N 3.25Å; D160-Q164 WeakPolarHBondContact OD2-CB 3.3Å; D160-G165 VanDerWaalsContact CG-N 3.34Å; D160-G165 VanDerWaalsContact OD1-CA 3.32Å; D160-G165 WeakPolarHBondContact OD1-CA 3.21Å; D160-G165 PolarHBondContact OD1-N 3.43Å; D160-G165 PolarHBondContact OD2-N 2.91Å; D160-G165 VanDerWaalsContact OD2-N 3.13Å
161G87.8Confident93Very high37 Ų3742.5 Ų42.538%0.38122%0.223SC..SBendtrans72.75.9-175.600000114.6L80 S158L80-G161 VanDerWaalsContact CD2-O 3.26Å; L80-G161 WeakPolarHBondContact CD2-O 3.32Å; S158-G161 PolarHBondContact O-N 3.36Å
162G89.9Confident93.3Very high19 Ų1942 Ų4220%0.19623%0.23CC..SBendtrans-123.6-170.8-179.100000113.1T83 S158 D160T83-G162 VanDerWaalsContact OG1-C 3.23Å; S158-G162 WeakPolarHBondContact CB-O 3.49Å; S158-G162 PolarHBondContact OG-N 2.84Å; S158-G162 PolarHBondContact OG-O 3.1Å; D160-G162 PolarHBondContact O-N 3.23Å; D160-G162 WeakPolarHBondContact OD1-CA 3.44Å; D160-G162 PolarHBondContact OD1-N 3.25Å
163D94.5Very high93.5Very high26 Ų2643.3 Ų43.314%0.13924%0.241CC..Hα-helixtrans-73.7-31.8177.958-85.2000113T83 K86 S134 G165 V166 L167T83-D163 HydrophobicContact CG2-CB 3.78Å; T83-D163 PolarHBondContact OG1-N 3Å; T83-D163 VanDerWaalsContact OG1-N 3.16Å; K86-D163 HydrophobicContact CD-CB 4Å; K86-D163 WeakPolarHBondContact CE-OD2 3.48Å; K86-D163 IonicContact NZ-OD1 3.56Å; K86-D163 IonicContact NZ-OD2 3.61Å; K86-D163 PolarHBondContact NZ-OD2 3.23Å; S134-D163 VanDerWaalsContact CB-OD2 3.23Å; S134-D163 WeakPolarHBondContact CB-OD2 3.26Å; S134-D163 PolarHBondContact OG-OD2 3.3Å; D163-G165 VanDerWaalsContact C-N 3.31Å; D163-G165 PolarHBondContact O-N 3.49Å; D163-V166 PolarHBondContact O-N 3.33Å; D163-L167 WeakPolarHBondContact O-CB 3.23Å; D163-L167 VanDerWaalsContact O-CG 3.25Å; D163-L167 WeakPolarHBondContact O-CG 3.39Å; D163-L167 PolarHBondContact O-N 3.18Å
164Q96.4Very high93.9Very high33 Ų3343.5 Ų43.515%0.15424%0.242CC..Hα-helixtrans-59.7-43179.5-176.1166-62.700111.3D125 N133 S134 D160 L167 N168D125-Q164 PolarHBondContact OD1-NE2 3Å; N133-Q164 VanDerWaalsContact CA-OE1 3.31Å; N133-Q164 PolarHBondContact ND2-OE1 3.36Å; S134-Q164 WeakPolarHBondContact OG-CA 3.47Å; S134-Q164 VanDerWaalsContact OG-CB 3.32Å; S134-Q164 WeakPolarHBondContact OG-CB 3.36Å; D160-Q164 WeakPolarHBondContact OD2-CB 3.3Å; Q164-L167 PolarHBondContact O-N 2.93Å; Q164-N168 WeakPolarHBondContact CG-ND2 3.29Å; Q164-N168 WeakPolarHBondContact O-CB 3.3Å; Q164-N168 PolarHBondContact O-N 3.02Å; Q164-N168 PolarHBondContact O-ND2 2.65Å
165G95.4Very high94.5Very high1 Ų143.1 Ų43.11%0.0124%0.243CC..Hα-helixtrans-67.6-37.2177.700000114.2S158 F159 D160 D163 G169S158-G165 VanDerWaalsContact OG-CA 3.3Å; S158-G165 WeakPolarHBondContact OG-CA 3.46Å; F159-G165 WeakPolarHBondContact CD1-O 3.44Å; F159-G165 WeakPolarHBondContact CE1-O 3.41Å; D160-G165 VanDerWaalsContact CG-N 3.34Å; D160-G165 VanDerWaalsContact OD1-CA 3.32Å; D160-G165 WeakPolarHBondContact OD1-CA 3.21Å; D160-G165 PolarHBondContact OD1-N 3.43Å; D160-G165 PolarHBondContact OD2-N 2.91Å; D160-G165 VanDerWaalsContact OD2-N 3.13Å; D163-G165 VanDerWaalsContact C-N 3.31Å; D163-G165 PolarHBondContact O-N 3.49Å; G165-G169 PolarHBondContact O-N 3.31Å; G165-G169 VanDerWaalsContact O-N 3.07Å
166V96.3Very high94.8Very high0 Ų043.7 Ų43.70%026%0.255CS..Hα-helixtrans-62.5-51.8172.4175.10000110.1T83 L149 Y152 C153 S158 D163 G169 F170T83-V166 HydrophobicContact CG2-CB 4.48Å; T83-V166 HydrophobicContact CG2-CG2 3.92Å; L149-V166 HydrophobicContact CD2-CG1 4.29Å; Y152-V166 HydrophobicContact CD1-CG1 4.11Å; C153-V166 WeakPolarHBondContact SG-CG1 3.25Å; S158-V166 PolarHBondContact OG-N 3.31Å; D163-V166 PolarHBondContact O-N 3.33Å; V166-G169 PolarHBondContact O-N 3.43Å; V166-F170 WeakPolarHBondContact O-CB 3.4Å; V166-F170 PolarHBondContact O-N 3.36Å
167L98.3Very high94.9Very high1 Ų139.6 Ų39.61%0.00524%0.241CC..Hα-helixtrans-66.5-41.7-173.3-68.5174.3000111.7L87 W90 F132 F137 L149 D163 Q164 G169 F170 F171L87-L167 HydrophobicContact CD2-CD2 4.05Å; W90-L167 HydrophobicContact CH2-CD2 3.5Å; W90-L167 HydrophobicContact CZ2-CD2 4.5Å; W90-L167 HydrophobicContact CZ3-CD2 3.83Å; F132-L167 HydrophobicContact CE2-CB 3.83Å; F132-L167 VanDerWaalsContact CZ-C 3.46Å; F132-L167 HydrophobicContact CZ-CB 3.79Å; F132-L167 WeakPolarHBondContact CZ-O 3.46Å; F137-L167 HydrophobicContact CE1-CD1 3.99Å; F137-L167 HydrophobicContact CZ-CD1 4.21Å; L149-L167 HydrophobicContact CD2-CD2 3.94Å; D163-L167 WeakPolarHBondContact O-CB 3.23Å; D163-L167 VanDerWaalsContact O-CG 3.25Å; D163-L167 WeakPolarHBondContact O-CG 3.39Å; D163-L167 PolarHBondContact O-N 3.18Å; Q164-L167 PolarHBondContact O-N 2.93Å; L167-G169 VanDerWaalsContact C-N 3.34Å; L167-F170 PolarHBondContact O-N 3.19Å; L167-F171 HydrophobicContact CD2-CD2 4.37Å; L167-F171 HydrophobicContact CD2-CE2 4.1Å; L167-F171 WeakPolarHBondContact O-CB 3.45Å; L167-F171 WeakPolarHBondContact O-CD2 3.33Å; L167-F171 PolarHBondContact O-N 3.13Å
168N98.5Very high95.1Very high15 Ų1544.3 Ų44.38%0.0827%0.266CS..Hα-helixtrans-66.7-36.6174.6-81.7-85000112.1C131 F132 F159 Q164 F171 S172C131-N168 WeakPolarHBondContact CA-OD1 3.44Å; C131-N168 WeakPolarHBondContact CB-OD1 3.49Å; F132-N168 WeakPolarHBondContact CD1-OD1 3.37Å; F132-N168 HydrophobicContact CE1-CB 4.32Å; F132-N168 WeakPolarHBondContact CE1-OD1 3.39Å; F132-N168 PolarHBondContact N-OD1 3.01Å; F132-N168 PolarHBondContact O-ND2 3.2Å; F159-N168 HydrophobicContact CE1-CB 4.09Å; F159-N168 HydrophobicContact CZ-CB 4.36Å; Q164-N168 WeakPolarHBondContact CG-ND2 3.29Å; Q164-N168 WeakPolarHBondContact O-CB 3.3Å; Q164-N168 PolarHBondContact O-N 3.02Å; Q164-N168 PolarHBondContact O-ND2 2.65Å; N168-F171 CarbonylContact O-C 3.48Å; N168-S172 WeakPolarHBondContact O-CA 3.44Å; N168-S172 PolarHBondContact O-N 3.22Å
169G97.7Very high95.3Very high18 Ų1850 Ų5019%0.18629%0.294CS..Hα-helixtrans-65.2-41.9174.800000112.9Y152 G165 V166 L167 S172Y152-G169 WeakPolarHBondContact OH-CA 3.28Å; G165-G169 PolarHBondContact O-N 3.31Å; G165-G169 VanDerWaalsContact O-N 3.07Å; V166-G169 PolarHBondContact O-N 3.43Å; L167-G169 VanDerWaalsContact C-N 3.34Å; G169-S172 WeakPolarHBondContact O-CB 3.04Å; G169-S172 PolarHBondContact O-OG 2.92Å
170F98.3Very high95.7Very high55 Ų5546 Ų4624%0.24128%0.283CS..Hα-helixtrans-73-47.9179.4-173.3-95.5000112.9T145 K148 L149 Y152 V166 L167 S172T145-F170 HydrophobicContact CG2-CE1 4.18Å; K148-F170 HydrophobicContact CB-CE2 3.65Å; K148-F170 HydrophobicContact CB-CZ 3.72Å; K148-F170 HydrophobicContact CD-CZ 4.4Å; L149-F170 HydrophobicContact CD2-CB 3.74Å; L149-F170 HydrophobicContact CD2-CD1 3.59Å; L149-F170 HydrophobicContact CD2-CD2 3.97Å; L149-F170 HydrophobicContact CD2-CE1 4.17Å; L149-F170 HydrophobicContact CD2-CG 3.47Å; L149-F170 VanDerWaalsContact CD2-CG 3.47Å; L149-F170 HydrophobicContact CG-CD1 4.13Å; L149-F170 HydrophobicContact CG-CD2 4.4Å; L149-F170 HydrophobicContact CG-CE1 4.19Å; L149-F170 HydrophobicContact CG-CE2 4.48Å; L149-F170 HydrophobicContact CG-CG 4.22Å; L149-F170 HydrophobicContact CG-CZ 4.37Å; Y152-F170 HydrophobicContact CD2-CB 4.45Å; Y152-F170 HydrophobicContact CD2-CD2 4.1Å; Y152-F170 HydrophobicContact CG-CB 4.41Å; Y152-F170 HydrophobicContact CG-CD2 4.15Å; V166-F170 WeakPolarHBondContact O-CB 3.4Å; V166-F170 PolarHBondContact O-N 3.36Å; L167-F170 PolarHBondContact O-N 3.19Å; F170-S172 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 2.98Å
171F98.3Very high96.2Very high21 Ų2144.6 Ų44.69%0.09227%0.273CS..THydrogen-bonded Turntrans-95.651.1176.5-60.8-73.8000111W90 E119 L120 F132 T145 L149 L167 N168 D173 W174W90-F171 HydrophobicContact CH2-CE2 4.21Å; W90-F171 AromaticContact CZ2-CE2 3.83Å; W90-F171 HydrophobicContact CZ2-CE2 3.83Å; W90-F171 AromaticContact CZ2-CZ 3.94Å; W90-F171 HydrophobicContact CZ2-CZ 3.94Å; E119-F171 HydrophobicContact CG-CE1 4.17Å; E119-F171 HydrophobicContact CG-CZ 4.35Å; L120-F171 HydrophobicContact CB-CB 4.24Å; L120-F171 HydrophobicContact CB-CD1 3.78Å; L120-F171 HydrophobicContact CB-CD2 4.13Å; L120-F171 HydrophobicContact CB-CE1 4.1Å; L120-F171 HydrophobicContact CB-CE2 4.43Å; L120-F171 HydrophobicContact CB-CG 3.8Å; L120-F171 HydrophobicContact CB-CZ 4.41Å; L120-F171 HydrophobicContact CG-CB 4.38Å; L120-F171 HydrophobicContact CG-CD1 4.44Å; L120-F171 HydrophobicContact CG-CD2 3.88Å; L120-F171 HydrophobicContact CG-CE2 4.23Å; L120-F171 HydrophobicContact CG-CG 4Å; F132-F171 HydrophobicContact CE1-CB 4.09Å; F132-F171 HydrophobicContact CZ-CB 4.24Å; F132-F171 HydrophobicContact CZ-CD2 4.49Å; T145-F171 HydrophobicContact CG2-CZ 4.24Å; L149-F171 HydrophobicContact CD2-CE2 4.48Å; L167-F171 HydrophobicContact CD2-CD2 4.37Å; L167-F171 HydrophobicContact CD2-CE2 4.1Å; L167-F171 WeakPolarHBondContact O-CB 3.45Å; L167-F171 WeakPolarHBondContact O-CD2 3.33Å; L167-F171 PolarHBondContact O-N 3.13Å; N168-F171 CarbonylContact O-C 3.48Å; F171-D173 PolarHBondContact O-N 3.47Å; F171-W174 WeakPolarHBondContact O-CB 3.19Å; F171-W174 PolarHBondContact O-N 2.87Å
172S97.8Very high96.7Very high92 Ų9244.9 Ų44.964%0.64326%0.264SS*.THydrogen-bonded Turntrans-70.6-12.2-17048.90000115N168 G169 F170 W174N168-S172 WeakPolarHBondContact O-CA 3.44Å; N168-S172 PolarHBondContact O-N 3.22Å; G169-S172 WeakPolarHBondContact O-CB 3.04Å; G169-S172 PolarHBondContact O-OG 2.92Å; F170-S172 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 2.98Å; S172-W174 VanDerWaalsContact C-N 3.33Å
173D97.7Very high97.1Very high82 Ų8244 Ų4444%0.43926%0.256SS..THydrogen-bonded Turntrans-79.4-13.3174.270.2-34.9000112.9F171 A175 T176 A177F171-D173 PolarHBondContact O-N 3.47Å; D173-A175 VanDerWaalsContact C-N 3.27Å; D173-A175 PolarHBondContact O-N 3.44Å; D173-T176 CarbonylContact O-C 3.54Å; D173-T176 PolarHBondContact O-N 3.06Å; D173-T176 PolarHBondContact O-OG1 2.57Å; D173-A177 WeakPolarHBondContact O-CB 3.32Å; D173-A177 PolarHBondContact O-N 3.24Å
174W98.6Very high97.3Very high4 Ų445.5 Ų45.52%0.01527%0.267CS..THydrogen-bonded Turntrans-48.8-43.1-172.6174.887.2000114A122 P124 F132 F171 S172 T176 K181 H182A122-W174 WeakPolarHBondContact O-CZ2 3.24Å; A122-W174 PolarHBondContact O-NE1 3.34Å; P124-W174 HydrophobicContact CB-CH2 3.98Å; P124-W174 HydrophobicContact CG-CH2 3.89Å; P124-W174 HydrophobicContact CG-CZ2 4.34Å; F132-W174 HydrophobicContact CB-CD2 3.74Å; F132-W174 HydrophobicContact CB-CE3 3.91Å; F132-W174 HydrophobicContact CB-CG 4.38Å; F132-W174 HydrophobicContact CB-CH2 3.96Å; F132-W174 HydrophobicContact CB-CZ2 3.77Å; F132-W174 HydrophobicContact CB-CZ3 4.02Å; F132-W174 HydrophobicContact CD1-CB 3.74Å; F132-W174 AromaticContact CD1-CD2 3.61Å; F132-W174 HydrophobicContact CD1-CD2 3.61Å; F132-W174 AromaticContact CD1-CE3 3.93Å; F132-W174 HydrophobicContact CD1-CE3 3.93Å; F132-W174 AromaticContact CD1-CG 3.49Å; F132-W174 HydrophobicContact CD1-CG 3.49Å; F132-W174 VanDerWaalsContact CD1-CG 3.49Å; F132-W174 HydrophobicContact CE1-CB 3.98Å; F132-W174 HydrophobicContact CE1-CG 4.16Å; F132-W174 HydrophobicContact CG-CD2 4.13Å; F132-W174 HydrophobicContact CG-CE3 4.44Å; F132-W174 HydrophobicContact CG-CG 4.3Å; F171-W174 WeakPolarHBondContact O-CB 3.19Å; F171-W174 PolarHBondContact O-N 2.87Å; S172-W174 VanDerWaalsContact C-N 3.33Å; W174-T176 VanDerWaalsContact C-N 3.25Å; W174-T176 PolarHBondContact O-N 3.31Å; W174-K181 PolarHBondContact NE1-O 3.18Å; W174-H182 AromaticContact CD2-NE2 3.9Å; W174-H182 AromaticContact CE2-CD2 3.88Å; W174-H182 AromaticContact CE2-CE1 3.9Å; W174-H182 AromaticContact CE2-NE2 3.71Å; W174-H182 AromaticContact CH2-CE1 3.37Å; W174-H182 WeakPolarHBondContact CH2-CE1 3.45Å; W174-H182 AromaticContact CH2-ND1 3.55Å; W174-H182 HydrophobicContact CZ2-CB 4.41Å; W174-H182 AromaticContact CZ2-CD2 3.94Å; W174-H182 AromaticContact CZ2-CE1 3.5Å; W174-H182 AromaticContact CZ2-CG 3.73Å; W174-H182 AromaticContact CZ2-ND1 3.48Å; W174-H182 WeakPolarHBondContact CZ2-ND1 3.36Å; W174-H182 AromaticContact CZ2-NE2 3.79Å; W174-H182 AromaticContact CZ3-CE1 3.68Å; W174-H182 PolarHBondContact O-NE2 3.17Å
175A97.7Very high97.4Very high35 Ų3547.2 Ų47.229%0.28927%0.274SS..THydrogen-bonded Turntrans-63.8-29.5-177.700000113.7D130 D173D130-A175 HydrophobicContact CB-CB 4.19Å; D130-A175 WeakPolarHBondContact O-CB 3.23Å; D173-A175 VanDerWaalsContact C-N 3.27Å; D173-A175 PolarHBondContact O-N 3.44Å
176T97.3Very high97.5Very high130 Ų13049.3 Ų49.380%0.79828%0.284SS*.THydrogen-bonded Turntrans-117.7-2.4-174.658.40000113.3D173 W174D173-T176 CarbonylContact O-C 3.54Å; D173-T176 PolarHBondContact O-N 3.06Å; D173-T176 PolarHBondContact O-OG1 2.57Å; W174-T176 VanDerWaalsContact C-N 3.25Å; W174-T176 PolarHBondContact O-N 3.31Å
177A91.6Very high97.6Very high30 Ų3050.4 Ų50.425%0.24829%0.288CS..SBendtrans-72.6-175.5173.500000111.9D173 I179 K181D173-A177 WeakPolarHBondContact O-CB 3.32Å; D173-A177 PolarHBondContact O-N 3.24Å; A177-I179 PolarHBondContact O-N 3.04Å; A177-K181 HydrophobicContact CB-CD 4.2Å
178D94.1Very high97.6Very high101 Ų10150.5 Ų50.554%0.5429%0.289SS..  trans-54.4131.6-179.9-168.2-64.9000112.2S180 K181D178-S180 VanDerWaalsContact CG-OG 3.3Å; D178-S180 PolarHBondContact O-N 3.43Å; D178-S180 WeakPolarHBondContact OD1-CA 3.4Å; D178-S180 WeakPolarHBondContact OD1-CB 3.48Å; D178-S180 PolarHBondContact OD1-N 3.38Å; D178-S180 PolarHBondContact OD1-OG 3.23Å; D178-K181 WeakPolarHBondContact O-CB 3.32Å; D178-K181 PolarHBondContact O-N 2.67Å
179I97.8Very high97.6Very high133 Ų13350.3 Ų50.368%0.68229%0.288SS*.G310 helixtrans-57.6-22.6-179.9-167.762000113.1A177 K181 H182A177-I179 PolarHBondContact O-N 3.04Å; I179-K181 PolarHBondContact O-N 3.13Å; I179-H182 HydrophobicContact CD1-CB 4.06Å; I179-H182 WeakPolarHBondContact O-CB 3.16Å; I179-H182 PolarHBondContact O-N 2.77Å
180S97.6Very high97.3Very high56 Ų5649.5 Ų49.539%0.39228%0.279SS..G310 helixtrans-63.1-19.7173.465.70000113.4R117 D178 H182R117-S180 WeakPolarHBondContact CD-O 3.49Å; R117-S180 PolarHBondContact NH1-O 3.42Å; D178-S180 VanDerWaalsContact CG-OG 3.3Å; D178-S180 PolarHBondContact O-N 3.43Å; D178-S180 WeakPolarHBondContact OD1-CA 3.4Å; D178-S180 WeakPolarHBondContact OD1-CB 3.48Å; D178-S180 PolarHBondContact OD1-N 3.38Å; D178-S180 PolarHBondContact OD1-OG 3.23Å; S180-H182 VanDerWaalsContact C-N 3.34Å
181K98.3Very high96.7Very high47 Ų4747.1 Ų47.120%0.20427%0.27CS..G310 helixtrans-81.4-11.7172.7-67-175.1173.8-1740113.8E119 L120 S121 A122 W174 A177 D178 I179 L183E119-K181 VanDerWaalsContact O-CE 3.28Å; E119-K181 WeakPolarHBondContact O-CE 3.32Å; E119-K181 PolarHBondContact O-NZ 3.24Å; L120-K181 WeakPolarHBondContact O-CB 3.3Å; S121-K181 CarbonylContact C-O 3.52Å; S121-K181 WeakPolarHBondContact CA-O 3.49Å; S121-K181 WeakPolarHBondContact OG-CA 3.48Å; A122-K181 PolarHBondContact N-O 2.95Å; W174-K181 PolarHBondContact NE1-O 3.18Å; A177-K181 HydrophobicContact CB-CD 4.2Å; D178-K181 WeakPolarHBondContact O-CB 3.32Å; D178-K181 PolarHBondContact O-N 2.67Å; I179-K181 PolarHBondContact O-N 3.13Å; K181-L183 PolarHBondContact O-N 2.92Å
182H98.7Very high95.8Very high43 Ų4349 Ų4920%0.19928%0.28CS..BIsolated β-bridgetrans-86.999.7174-74.1-122000108.7W174 I179 S180W174-H182 AromaticContact CD2-NE2 3.9Å; W174-H182 AromaticContact CE2-CD2 3.88Å; W174-H182 AromaticContact CE2-CE1 3.9Å; W174-H182 AromaticContact CE2-NE2 3.71Å; W174-H182 AromaticContact CH2-CE1 3.37Å; W174-H182 WeakPolarHBondContact CH2-CE1 3.45Å; W174-H182 AromaticContact CH2-ND1 3.55Å; W174-H182 HydrophobicContact CZ2-CB 4.41Å; W174-H182 AromaticContact CZ2-CD2 3.94Å; W174-H182 AromaticContact CZ2-CE1 3.5Å; W174-H182 AromaticContact CZ2-CG 3.73Å; W174-H182 AromaticContact CZ2-ND1 3.48Å; W174-H182 WeakPolarHBondContact CZ2-ND1 3.36Å; W174-H182 AromaticContact CZ2-NE2 3.79Å; W174-H182 AromaticContact CZ3-CE1 3.68Å; W174-H182 PolarHBondContact O-NE2 3.17Å; I179-H182 HydrophobicContact CD1-CB 4.06Å; I179-H182 WeakPolarHBondContact O-CB 3.16Å; I179-H182 PolarHBondContact O-N 2.77Å; S180-H182 VanDerWaalsContact C-N 3.34Å
183L98.6Very high94.7Very high2 Ų245.2 Ų45.21%0.0125%0.254CS..  trans-63.7136.3171.9-59.5-177000108.8L114 R117 A122 A123 V138 K181 F185L114-L183 HydrophobicContact CD2-CD1 4.01Å; L114-L183 HydrophobicContact CD2-CD2 3.73Å; L114-L183 HydrophobicContact CD2-CG 4.45Å; R117-L183 HydrophobicContact CB-CD2 4.49Å; R117-L183 HydrophobicContact CG-CD2 3.79Å; A122-L183 PolarHBondContact O-N 3.4Å; A123-L183 HydrophobicContact CB-CB 4.19Å; V138-L183 HydrophobicContact CG2-CD1 4.39Å; K181-L183 PolarHBondContact O-N 2.92Å; L183-F185 PolarHBondContact O-N 3.16Å
184P98.5Very high93.7Very high57 Ų5741.7 Ų41.737%0.3724%0.236SC..  trans-54.5139.3171.8-25.833.8000110.8I186 Y187P184-I186 HydrophobicContact CB-CG1 3.96Å; P184-I186 PolarHBondContact O-N 3.5Å; P184-Y187 HydrophobicContact CB-CD2 3.89Å; P184-Y187 HydrophobicContact CB-CE2 4.13Å; P184-Y187 HydrophobicContact CG-CD2 4.01Å; P184-Y187 HydrophobicContact CG-CE2 3.91Å; P184-Y187 WeakPolarHBondContact O-CB 3.18Å; P184-Y187 WeakPolarHBondContact O-CD2 3.5Å; P184-Y187 PolarHBondContact O-N 3.44Å
185F98.1Very high92.4Very high69 Ų6946.7 Ų46.730%0.30326%0.255SS..G310 helixtrans-54.6-26.6-174.6-169.6-117.9000114P126 L183 Y187 N188 L189 A193P126-F185 HydrophobicContact CB-CE2 4.41Å; P126-F185 HydrophobicContact CB-CZ 4.22Å; L183-F185 PolarHBondContact O-N 3.16Å; F185-Y187 PolarHBondContact O-N 3.09Å; F185-N188 CarbonylContact O-C 3.59Å; F185-N188 PolarHBondContact O-N 3.27Å; F185-L189 HydrophobicContact CD1-CD1 3.72Å; F185-L189 HydrophobicContact CE1-CD1 3.36Å; F185-L189 HydrophobicContact CZ-CD1 4.25Å; F185-L189 WeakPolarHBondContact O-CA 3.36Å; F185-L189 PolarHBondContact O-N 3.02Å; F185-A193 HydrophobicContact CE1-CB 3.68Å; F185-A193 HydrophobicContact CZ-CB 3.63Å
186I97.9Very high91.7Very high44 Ų4449.2 Ų49.223%0.22627%0.267CS..G310 helixtrans-63.7-16.2175.459.5171.1000114.8P184 N188 N207 K209 V210P184-I186 HydrophobicContact CB-CG1 3.96Å; P184-I186 PolarHBondContact O-N 3.5Å; I186-N188 VanDerWaalsContact C-N 3.34Å; I186-N207 HydrophobicContact CD1-CB 4.44Å; I186-N207 WeakPolarHBondContact CD1-O 3.17Å; I186-N207 HydrophobicContact CG2-CB 4.34Å; I186-K209 HydrophobicContact CD1-CG 4.32Å; I186-K209 PolarHBondContact O-N 2.87Å; I186-V210 PolarHBondContact O-N 3.21Å
187Y98.8Very high91.3Very high24 Ų2450.5 Ų50.59%0.09426%0.258CS..G310 helixtrans-86.7-3.5173.5-70.3-85.9000113.3I111 E113 L114 P184 F185 K209 V210I111-Y187 HydrophobicContact CB-CD1 4.32Å; I111-Y187 HydrophobicContact CB-CE1 4.22Å; I111-Y187 HydrophobicContact CG2-CD1 3.84Å; I111-Y187 HydrophobicContact CG2-CE1 3.84Å; E113-Y187 HydrophobicContact CG-CE1 4.47Å; E113-Y187 WeakPolarHBondContact OE1-CE1 3.45Å; E113-Y187 PolarHBondContact OE1-OH 2.76Å; L114-Y187 HydrophobicContact CD1-CD1 3.95Å; L114-Y187 HydrophobicContact CD2-CD1 3.56Å; L114-Y187 HydrophobicContact CD2-CE1 3.81Å; L114-Y187 HydrophobicContact CD2-CG 3.94Å; L114-Y187 HydrophobicContact CG-CD1 3.84Å; L114-Y187 HydrophobicContact CG-CE1 3.98Å; P184-Y187 HydrophobicContact CB-CD2 3.89Å; P184-Y187 HydrophobicContact CB-CE2 4.13Å; P184-Y187 HydrophobicContact CG-CD2 4.01Å; P184-Y187 HydrophobicContact CG-CE2 3.91Å; P184-Y187 WeakPolarHBondContact O-CB 3.18Å; P184-Y187 WeakPolarHBondContact O-CD2 3.5Å; P184-Y187 PolarHBondContact O-N 3.44Å; F185-Y187 PolarHBondContact O-N 3.09Å; Y187-K209 HydrophobicContact CD1-CB 4.33Å; Y187-K209 HydrophobicContact CD1-CD 4.18Å; Y187-K209 HydrophobicContact CE1-CD 3.57Å; Y187-K209 HydrophobicContact CE2-CD 4.45Å; Y187-V210 VanDerWaalsContact O-CB 3.28Å; Y187-V210 WeakPolarHBondContact O-CB 3.47Å; Y187-V210 WeakPolarHBondContact O-CG2 3.22Å
188N98.5Very high91.2Very high3 Ų352.8 Ų52.82%0.01627%0.266CS..SBendtrans-155.254.5173.2-166.72.4000109.4A123 N133 V136 F185 I186 S190 H212A123-N188 HydrophobicContact CB-CB 3.57Å; N133-N188 WeakPolarHBondContact CB-ND2 3.24Å; N133-N188 PolarHBondContact OD1-ND2 3.31Å; V136-N188 HydrophobicContact CB-CB 4.03Å; V136-N188 HydrophobicContact CG2-CB 4.07Å; V136-N188 PolarHBondContact N-ND2 2.87Å; F185-N188 CarbonylContact O-C 3.59Å; F185-N188 PolarHBondContact O-N 3.27Å; I186-N188 VanDerWaalsContact C-N 3.34Å; N188-S190 PolarHBondContact O-N 3.43Å; N188-H212 WeakPolarHBondContact OD1-CB 3.45Å; N188-H212 PolarHBondContact OD1-ND1 3.16Å
189L96.9Very high91.2Very high10 Ų1052.1 Ų52.15%0.05227%0.268CS..EExtended strand (participates in β ladder)trans-69.3107.3-174.4175.863.7000109.7F185 S191 F201 A208 V210 V211 H212 F244F185-L189 HydrophobicContact CD1-CD1 3.72Å; F185-L189 HydrophobicContact CE1-CD1 3.36Å; F185-L189 HydrophobicContact CZ-CD1 4.25Å; F185-L189 WeakPolarHBondContact O-CA 3.36Å; F185-L189 PolarHBondContact O-N 3.02Å; L189-S191 PolarHBondContact O-N 3.17Å; L189-F201 HydrophobicContact CD2-CD2 4.31Å; L189-F201 HydrophobicContact CD2-CE2 3.98Å; L189-A208 HydrophobicContact CD2-CB 3.57Å; L189-V210 VanDerWaalsContact CB-O 3.26Å; L189-V210 WeakPolarHBondContact CB-O 3.4Å; L189-V210 PolarHBondContact N-O 3.39Å; L189-V211 WeakPolarHBondContact O-CA 3.31Å; L189-H212 PolarHBondContact O-N 3.19Å; L189-F244 HydrophobicContact CD2-CE2 4.16Å; L189-F244 HydrophobicContact CD2-CZ 4.42Å
190S93.2Very high90.9Very high2 Ų246.9 Ų46.91%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-60.8129.5174168.60000111.5N188 L192 A193N188-S190 PolarHBondContact O-N 3.43Å; S190-L192 PolarHBondContact O-N 3.46Å; S190-L192 WeakPolarHBondContact OG-CB 3.18Å; S190-L192 PolarHBondContact OG-N 2.84Å; S190-L192 VanDerWaalsContact OG-N 3.08Å; S190-A193 WeakPolarHBondContact O-CB 3.28Å; S190-A193 PolarHBondContact O-N 3.15Å
191S85.8Confident90.6Very high5 Ų545.6 Ų45.64%0.03523%0.231CC..THydrogen-bonded Turntrans-58.5-25.7171.153.80000112.8L189 H212 L214L189-S191 PolarHBondContact O-N 3.17Å; S191-H212 PolarHBondContact N-O 3.37Å; S191-H212 PolarHBondContact OG-O 3.35Å; S191-L214 PolarHBondContact OG-N 3.02Å; S191-L214 PolarHBondContact OG-O 2.83Å
192L78.9Confident90.3Very high59 Ų5951 Ų5131%0.30926%0.255SS..THydrogen-bonded Turntrans-71.3-36.3176.4-53.6174.5000111.8S190 I194 Y195 T196 L214S190-L192 PolarHBondContact O-N 3.46Å; S190-L192 WeakPolarHBondContact OG-CB 3.18Å; S190-L192 PolarHBondContact OG-N 2.84Å; S190-L192 VanDerWaalsContact OG-N 3.08Å; L192-I194 PolarHBondContact O-N 3.2Å; L192-I194 VanDerWaalsContact O-N 3.12Å; L192-Y195 HydrophobicContact CB-CD1 4.47Å; L192-Y195 HydrophobicContact CB-CE1 3.67Å; L192-Y195 HydrophobicContact CD2-CE1 3.65Å; L192-Y195 HydrophobicContact CG-CE1 4.27Å; L192-Y195 WeakPolarHBondContact O-CD1 3.39Å; L192-Y195 WeakPolarHBondContact O-CE1 3.5Å; L192-Y195 PolarHBondContact O-N 3.48Å; L192-T196 PolarHBondContact O-N 3.4Å; L192-T196 PolarHBondContact O-OG1 2.95Å; L192-L214 HydrophobicContact CD1-CB 4.1Å; L192-L214 HydrophobicContact CG-CB 4.17Å
193A74.4Confident90.1Very high13 Ų1355.4 Ų55.411%0.10728%0.275CS..Hα-helixtrans-63.3-22.1-178.900000113.3P126 F185 S190 Y195 T196 Y197P126-A193 HydrophobicContact CB-CB 4.5Å; F185-A193 HydrophobicContact CE1-CB 3.68Å; F185-A193 HydrophobicContact CZ-CB 3.63Å; S190-A193 WeakPolarHBondContact O-CB 3.28Å; S190-A193 PolarHBondContact O-N 3.15Å; A193-Y195 VanDerWaalsContact C-N 3.33Å; A193-Y195 PolarHBondContact O-N 3.27Å; A193-T196 WeakPolarHBondContact CA-OG1 3.36Å; A193-Y197 PolarHBondContact O-N 3.41Å
194I75.9Confident89.9Confident9 Ų962.1 Ų62.15%0.04630%0.302CS..Hα-helixtrans-64.2-39.6178.6-53.2176.5000110.9L192 F201 H241 F244L192-I194 PolarHBondContact O-N 3.2Å; L192-I194 VanDerWaalsContact O-N 3.12Å; I194-F201 HydrophobicContact CB-CD2 4.23Å; I194-F201 HydrophobicContact CB-CE2 4.46Å; I194-F201 HydrophobicContact CB-CG 4.27Å; I194-F201 HydrophobicContact CD1-CE2 4.08Å; I194-F201 HydrophobicContact CD1-CZ 4.34Å; I194-F201 HydrophobicContact CG1-CD2 3.82Å; I194-F201 HydrophobicContact CG1-CE2 3.81Å; I194-F201 HydrophobicContact CG1-CG 4.36Å; I194-F201 HydrophobicContact CG1-CZ 4.34Å; I194-F201 HydrophobicContact CG2-CD1 3.55Å; I194-F201 HydrophobicContact CG2-CD2 4.02Å; I194-F201 HydrophobicContact CG2-CE1 3.61Å; I194-F201 HydrophobicContact CG2-CE2 4.08Å; I194-F201 HydrophobicContact CG2-CG 3.76Å; I194-F201 HydrophobicContact CG2-CZ 3.88Å; I194-H241 HydrophobicContact CD1-CB 3.51Å; I194-H241 HydrophobicContact CG2-CB 3.71Å; I194-F244 HydrophobicContact CD1-CD2 3.63Å; I194-F244 HydrophobicContact CD1-CE2 3.64Å
195Y72.5Confident89.6Confident109 Ų10959.9 Ų59.943%0.42729%0.289SS..Hα-helixtrans-90-34178.776.9-100.7000112.6L192 A193 P238L192-Y195 HydrophobicContact CB-CD1 4.47Å; L192-Y195 HydrophobicContact CB-CE1 3.67Å; L192-Y195 HydrophobicContact CD2-CE1 3.65Å; L192-Y195 HydrophobicContact CG-CE1 4.27Å; L192-Y195 WeakPolarHBondContact O-CD1 3.39Å; L192-Y195 WeakPolarHBondContact O-CE1 3.5Å; L192-Y195 PolarHBondContact O-N 3.48Å; A193-Y195 VanDerWaalsContact C-N 3.33Å; A193-Y195 PolarHBondContact O-N 3.27Å; Y195-P238 HydrophobicContact CD1-CB 3.72Å; Y195-P238 HydrophobicContact CD1-CG 4.47Å; Y195-P238 HydrophobicContact CD2-CB 4.02Å; Y195-P238 HydrophobicContact CD2-CG 4.37Å; Y195-P238 HydrophobicContact CE1-CB 3.97Å; Y195-P238 HydrophobicContact CE1-CG 4.26Å; Y195-P238 HydrophobicContact CE2-CB 4.28Å; Y195-P238 HydrophobicContact CE2-CG 4.19Å; Y195-P238 HydrophobicContact CG-CB 3.77Å
196T82.8Confident89.3Confident88 Ų8860.4 Ų60.454%0.5431%0.314SS..Hα-helixtrans-71.7-33.8-175.858.80000112.8L192 A193L192-T196 PolarHBondContact O-N 3.4Å; L192-T196 PolarHBondContact O-OG1 2.95Å; A193-T196 WeakPolarHBondContact CA-OG1 3.36Å
197Y88.8Confident89.2Confident156 Ų15663.2 Ų63.261%0.61233%0.329SS*.THydrogen-bonded Turntrans-134.761.1178.4-163.723.7000112.7A193 P199 A200 F201A193-Y197 PolarHBondContact O-N 3.41Å; Y197-P199 VanDerWaalsContact C-CD 3.43Å; Y197-P199 HydrophobicContact CD1-CG 4.45Å; Y197-P199 HydrophobicContact CE1-CB 4.34Å; Y197-P199 HydrophobicContact CE1-CG 4.39Å; Y197-A200 HydrophobicContact CD1-CB 4.35Å; Y197-A200 HydrophobicContact CD2-CB 3.34Å; Y197-A200 HydrophobicContact CE1-CB 4.45Å; Y197-A200 HydrophobicContact CE2-CB 3.49Å; Y197-A200 VanDerWaalsContact CE2-CB 3.49Å; Y197-A200 HydrophobicContact CG-CB 3.8Å; Y197-A200 PolarHBondContact O-N 3.03Å; Y197-F201 PolarHBondContact O-N 3.3Å; Y197-F201 VanDerWaalsContact O-N 3.12Å
198L89.1Confident89.2Confident78 Ų7862.6 Ų62.641%0.40833%0.329SS..Hα-helixtrans-51.3-39.3-176.6-175.662.5000115.2A200 F201 K202L198-A200 PolarHBondContact O-N 3.47Å; L198-F201 HydrophobicContact CD1-CD1 4.28Å; L198-F201 PolarHBondContact O-N 2.99Å; L198-K202 HydrophobicContact CD1-CG 4.31Å; L198-K202 HydrophobicContact CG-CD 4.39Å; L198-K202 HydrophobicContact CG-CG 4.44Å; L198-K202 WeakPolarHBondContact O-CG 3.33Å; L198-K202 PolarHBondContact O-N 3.01Å
199P93.3Very high89.2Confident88 Ų8864.9 Ų64.957%0.57134%0.339SS*.Hα-helixtrans-58.5-43.9175.2-26.135.9000113.4Y197 K202 Q203Y197-P199 VanDerWaalsContact C-CD 3.43Å; Y197-P199 HydrophobicContact CD1-CG 4.45Å; Y197-P199 HydrophobicContact CE1-CB 4.34Å; Y197-P199 HydrophobicContact CE1-CG 4.39Å; P199-K202 PolarHBondContact O-N 3.25Å; P199-Q203 PolarHBondContact O-N 3.26Å
200A92.9Very high89.2Confident23 Ų2364.4 Ų64.419%0.1934%0.336CS..Hα-helixtrans-67.5-39.3176.600000111.4Y197 L198 K202 Q203 Y204Y197-A200 HydrophobicContact CD1-CB 4.35Å; Y197-A200 HydrophobicContact CD2-CB 3.34Å; Y197-A200 HydrophobicContact CE1-CB 4.45Å; Y197-A200 HydrophobicContact CE2-CB 3.49Å; Y197-A200 VanDerWaalsContact CE2-CB 3.49Å; Y197-A200 HydrophobicContact CG-CB 3.8Å; Y197-A200 PolarHBondContact O-N 3.03Å; L198-A200 PolarHBondContact O-N 3.47Å; A200-K202 PolarHBondContact O-N 2.85Å; A200-Q203 PolarHBondContact O-N 2.89Å; A200-Y204 HydrophobicContact CB-CD2 4.27Å; A200-Y204 WeakPolarHBondContact O-CD2 3.33Å; A200-Y204 PolarHBondContact O-N 3.1Å
201F91.6Very high89.5Confident28 Ų2864.3 Ų64.312%0.12334%0.336CS..Hα-helixtrans-62.5-41.1174.1179.8-102.3000112.2L189 I194 Y197 L198 Q203 G205 H241 F244L189-F201 HydrophobicContact CD2-CD2 4.31Å; L189-F201 HydrophobicContact CD2-CE2 3.98Å; I194-F201 HydrophobicContact CB-CD2 4.23Å; I194-F201 HydrophobicContact CB-CE2 4.46Å; I194-F201 HydrophobicContact CB-CG 4.27Å; I194-F201 HydrophobicContact CD1-CE2 4.08Å; I194-F201 HydrophobicContact CD1-CZ 4.34Å; I194-F201 HydrophobicContact CG1-CD2 3.82Å; I194-F201 HydrophobicContact CG1-CE2 3.81Å; I194-F201 HydrophobicContact CG1-CG 4.36Å; I194-F201 HydrophobicContact CG1-CZ 4.34Å; I194-F201 HydrophobicContact CG2-CD1 3.55Å; I194-F201 HydrophobicContact CG2-CD2 4.02Å; I194-F201 HydrophobicContact CG2-CE1 3.61Å; I194-F201 HydrophobicContact CG2-CE2 4.08Å; I194-F201 HydrophobicContact CG2-CG 3.76Å; I194-F201 HydrophobicContact CG2-CZ 3.88Å; Y197-F201 PolarHBondContact O-N 3.3Å; Y197-F201 VanDerWaalsContact O-N 3.12Å; L198-F201 HydrophobicContact CD1-CD1 4.28Å; L198-F201 PolarHBondContact O-N 2.99Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 PolarHBondContact O-N 3.42Å; F201-G205 WeakPolarHBondContact O-CA 3.27Å; F201-G205 PolarHBondContact O-N 3.18Å; F201-H241 AromaticContact CE1-CD2 3.41Å; F201-H241 VanDerWaalsContact CE1-CD2 3.41Å; F201-H241 WeakPolarHBondContact CE1-CD2 3.44Å; F201-H241 AromaticContact CE1-NE2 3.62Å; F201-H241 AromaticContact CZ-CD2 3.86Å; F201-F244 AromaticContact CE2-CE2 3.77Å; F201-F244 HydrophobicContact CE2-CE2 3.77Å; F201-F244 HydrophobicContact CE2-CZ 4.11Å; F201-F244 AromaticContact CZ-CE2 3.8Å; F201-F244 HydrophobicContact CZ-CE2 3.8Å; F201-F244 HydrophobicContact CZ-CZ 4.09Å
202K91.1Very high90Very high161 Ų16164.2 Ų64.270%0.734%0.335SS*.Hα-helixtrans-62-37.2174.5-74.9179.1177-179.30112.4L198 P199 A200L198-K202 HydrophobicContact CD1-CG 4.31Å; L198-K202 HydrophobicContact CG-CD 4.39Å; L198-K202 HydrophobicContact CG-CG 4.44Å; L198-K202 WeakPolarHBondContact O-CG 3.33Å; L198-K202 PolarHBondContact O-N 3.01Å; P199-K202 PolarHBondContact O-N 3.25Å; A200-K202 PolarHBondContact O-N 2.85Å
203Q94.7Very high90.8Very high135 Ų13561.5 Ų61.563%0.63132%0.32SS*.Hα-helixtrans-77.3-42.3-179.2-177.264.115.700113.2P199 A200 F201P199-Q203 PolarHBondContact O-N 3.26Å; A200-Q203 PolarHBondContact O-N 2.89Å; F201-Q203 VanDerWaalsContact C-N 3.29Å; F201-Q203 PolarHBondContact O-N 3.42Å
204Y94.1Very high91.4Very high144 Ų14462.6 Ų62.657%0.56532%0.324SS*.Hα-helixtrans-118.5-17.3-168-54.9-64.5000114.3A200 G206 N207A200-Y204 HydrophobicContact CB-CD2 4.27Å; A200-Y204 WeakPolarHBondContact O-CD2 3.33Å; A200-Y204 PolarHBondContact O-N 3.1Å; Y204-G206 PolarHBondContact O-N 2.82Å; Y204-N207 WeakPolarHBondContact O-CB 3.5Å; Y204-N207 PolarHBondContact O-N 3.09Å
205G91.5Very high91.8Very high9 Ų963.7 Ų63.79%0.09334%0.338CS..G310 helixtrans-64.6-22.1-174.300000114.3F201 N207 A208F201-G205 WeakPolarHBondContact O-CA 3.27Å; F201-G205 PolarHBondContact O-N 3.18Å; G205-N207 PolarHBondContact O-N 3.07Å; G205-A208 VanDerWaalsContact O-CB 3.28Å; G205-A208 WeakPolarHBondContact O-CB 3.3Å; G205-A208 PolarHBondContact O-N 3.42Å; G205-A208 VanDerWaalsContact O-N 3.16Å
206G92.8Very high92.3Very high80 Ų8067.2 Ų67.283%0.82536%0.356SS*.G310 helixtrans-63-18.4170.400000113.9Y204Y204-G206 PolarHBondContact O-N 2.82Å
207N96.6Very high92.5Very high104 Ų10464 Ų6456%0.55634%0.336SS*.G310 helixtrans-93.87.1177.9-57.2-36.3000113I186 Y204 G205 K209I186-N207 HydrophobicContact CD1-CB 4.44Å; I186-N207 WeakPolarHBondContact CD1-O 3.17Å; I186-N207 HydrophobicContact CG2-CB 4.34Å; Y204-N207 WeakPolarHBondContact O-CB 3.5Å; Y204-N207 PolarHBondContact O-N 3.09Å; G205-N207 PolarHBondContact O-N 3.07Å; N207-K209 PolarHBondContact O-N 2.84Å
208A97Very high92.7Very high11 Ų1157.6 Ų57.69%0.09131%0.311CS..  trans-57.4127-179.500000111.3L108 L189 G205 F244L108-A208 HydrophobicContact CD1-CB 3.97Å; L189-A208 HydrophobicContact CD2-CB 3.57Å; G205-A208 VanDerWaalsContact O-CB 3.28Å; G205-A208 WeakPolarHBondContact O-CB 3.3Å; G205-A208 PolarHBondContact O-N 3.42Å; G205-A208 VanDerWaalsContact O-N 3.16Å; A208-F244 HydrophobicContact CB-CZ 4.2Å
209K98.6Very high92.9Very high51 Ų5153.9 Ų53.922%0.22229%0.292CS..SBendtrans-102.3-33.4176.3-63.9-156.7170.4-156.40112.5L108 S109 I111 E113 I186 Y187 N207L108-K209 PolarHBondContact N-O 3.29Å; S109-K209 WeakPolarHBondContact OG-CB 3.29Å; S109-K209 WeakPolarHBondContact OG-CD 3.32Å; S109-K209 VanDerWaalsContact OG-CG 3.23Å; S109-K209 WeakPolarHBondContact OG-CG 3.49Å; I111-K209 HydrophobicContact CG2-CB 3.81Å; I111-K209 HydrophobicContact CG2-CD 4.03Å; E113-K209 IonicContact OE1-NZ 2.82Å; E113-K209 PolarHBondContact OE1-NZ 3.01Å; I186-K209 HydrophobicContact CD1-CG 4.32Å; I186-K209 PolarHBondContact O-N 2.87Å; Y187-K209 HydrophobicContact CD1-CB 4.33Å; Y187-K209 HydrophobicContact CD1-CD 4.18Å; Y187-K209 HydrophobicContact CE1-CD 3.57Å; Y187-K209 HydrophobicContact CE2-CD 4.45Å; N207-K209 PolarHBondContact O-N 2.84Å
210V98.7Very high92.9Very high0 Ų050.8 Ų50.80%027%0.269CS..EExtended strand (participates in β ladder)trans-135.9134.5174.8-175.70000108.6M101 T105 L106 V107 I111 V136 I186 Y187 L189M101-V210 HydrophobicContact CE-CB 4.42Å; M101-V210 HydrophobicContact CE-CG1 3.6Å; M101-V210 HydrophobicContact CE-CG2 3.89Å; T105-V210 HydrophobicContact CG2-CG1 4.43Å; L106-V210 WeakPolarHBondContact O-CA 3.47Å; V107-V210 HydrophobicContact CG2-CG2 4.39Å; I111-V210 HydrophobicContact CD1-CG2 3.8Å; I111-V210 HydrophobicContact CG2-CG2 4.16Å; V136-V210 HydrophobicContact CG2-CG1 4.21Å; I186-V210 PolarHBondContact O-N 3.21Å; Y187-V210 VanDerWaalsContact O-CB 3.28Å; Y187-V210 WeakPolarHBondContact O-CB 3.47Å; Y187-V210 WeakPolarHBondContact O-CG2 3.22Å; L189-V210 VanDerWaalsContact CB-O 3.26Å; L189-V210 WeakPolarHBondContact CB-O 3.4Å; L189-V210 PolarHBondContact N-O 3.39Å
211V97.9Very high92.9Very high0 Ų052.6 Ų52.60%028%0.28CS..EExtended strand (participates in β ladder)trans-106.6134.3170.7176.80000108.5T105 L106 L108 L189 F213 F244T105-V211 CarbonylContact C-O 3.57Å; T105-V211 VanDerWaalsContact CA-O 3.23Å; T105-V211 WeakPolarHBondContact CA-O 3.5Å; L106-V211 PolarHBondContact N-O 2.81Å; L106-V211 PolarHBondContact O-N 3.19Å; L108-V211 HydrophobicContact CD1-CG2 3.6Å; L108-V211 HydrophobicContact CG-CG2 4.29Å; L189-V211 WeakPolarHBondContact O-CA 3.31Å; V211-F213 HydrophobicContact CG1-CD1 4.25Å; V211-F213 HydrophobicContact CG1-CE1 3.94Å; V211-F213 HydrophobicContact CG1-CE2 4.38Å; V211-F213 HydrophobicContact CG1-CZ 4Å; V211-F244 HydrophobicContact CG1-CB 4.19Å; V211-F244 HydrophobicContact CG1-CD2 4Å; V211-F244 HydrophobicContact CG1-CG 4.22Å; V211-F244 HydrophobicContact CG2-CB 4.38Å; V211-F244 HydrophobicContact CG2-CD1 3.83Å; V211-F244 HydrophobicContact CG2-CD2 3.7Å; V211-F244 HydrophobicContact CG2-CE1 3.93Å; V211-F244 HydrophobicContact CG2-CE2 3.8Å; V211-F244 HydrophobicContact CG2-CG 3.73Å; V211-F244 HydrophobicContact CG2-CZ 3.92Å
212H97.8Very high92.9Very high3 Ų352.7 Ų52.71%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-113.2115.1176-173.3178.5000109.3D104 T105 N133 N188 L189 S191 L214D104-H212 IonicContact OD1-CD2 3.68Å; D104-H212 IonicContact OD1-NE2 2.64Å; D104-H212 PolarHBondContact OD1-NE2 2.95Å; D104-H212 IonicContact OD2-NE2 3.61Å; T105-H212 HydrophobicContact CG2-CB 4.12Å; N133-H212 PolarHBondContact OD1-CE1 3.2Å; N133-H212 PolarHBondContact OD1-ND1 2.87Å; N188-H212 WeakPolarHBondContact OD1-CB 3.45Å; N188-H212 PolarHBondContact OD1-ND1 3.16Å; L189-H212 PolarHBondContact O-N 3.19Å; S191-H212 PolarHBondContact N-O 3.37Å; S191-H212 PolarHBondContact OG-O 3.35Å; H212-L214 WeakPolarHBondContact CE1-CD2 3.33Å; H212-L214 VanDerWaalsContact NE2-CD2 3.3Å; H212-L214 WeakPolarHBondContact NE2-CD2 3.42Å; H212-L214 PolarHBondContact O-N 3.09Å
213F94.8Very high92.9Very high1 Ų147.1 Ų47.10%0.00426%0.26CS..  trans-80.663.3-178.1-63.8-71.6000111.6D104 L106 V211 K218 P219 M240 F244 W248D104-F213 HydrophobicContact CB-CB 4.39Å; D104-F213 WeakPolarHBondContact O-CB 3.43Å; D104-F213 VanDerWaalsContact O-CD2 3.25Å; D104-F213 WeakPolarHBondContact O-CD2 3.45Å; D104-F213 PolarHBondContact O-N 2.86Å; L106-F213 HydrophobicContact CB-CE2 3.74Å; L106-F213 HydrophobicContact CB-CZ 4.4Å; L106-F213 HydrophobicContact CD2-CE2 4.35Å; L106-F213 HydrophobicContact CD2-CZ 4.27Å; V211-F213 HydrophobicContact CG1-CD1 4.25Å; V211-F213 HydrophobicContact CG1-CE1 3.94Å; V211-F213 HydrophobicContact CG1-CE2 4.38Å; V211-F213 HydrophobicContact CG1-CZ 4Å; F213-K218 PolarHBondContact O-NZ 3.27Å; F213-K218 VanDerWaalsContact O-NZ 3.16Å; F213-P219 HydrophobicContact CB-CG 3.74Å; F213-P219 HydrophobicContact CD1-CG 3.94Å; F213-P219 HydrophobicContact CD2-CG 3.44Å; F213-P219 VanDerWaalsContact CD2-CG 3.44Å; F213-P219 HydrophobicContact CE1-CG 4.39Å; F213-P219 HydrophobicContact CE2-CG 3.95Å; F213-P219 HydrophobicContact CG-CG 3.43Å; F213-P219 VanDerWaalsContact CG-CG 3.43Å; F213-P219 HydrophobicContact CZ-CG 4.4Å; F213-M240 HydrophobicContact CB-CE 3.52Å; F213-M240 HydrophobicContact CD1-CE 3.55Å; F213-M240 HydrophobicContact CD1-SD 3.62Å; F213-M240 HydrophobicContact CE1-SD 4.23Å; F213-M240 HydrophobicContact CG-CE 3.95Å; F213-M240 HydrophobicContact CG-SD 4.5Å; F213-F244 HydrophobicContact CE1-CB 4.08Å; F213-F244 HydrophobicContact CZ-CB 4.15Å; F213-W248 HydrophobicContact CE2-CB 4.24Å; F213-W248 AromaticContact CE2-CD1 3.74Å; F213-W248 HydrophobicContact CE2-CG 4.24Å; F213-W248 HydrophobicContact CZ-CB 4.12Å
214L87.5Confident92.9Very high36 Ų3641 Ų4119%0.18823%0.231CC..  trans-63.6153.7174.9-72.5-179.6000111.7S191 L192 H212S191-L214 PolarHBondContact OG-N 3.02Å; S191-L214 PolarHBondContact OG-O 2.83Å; L192-L214 HydrophobicContact CD1-CB 4.1Å; L192-L214 HydrophobicContact CG-CB 4.17Å; H212-L214 WeakPolarHBondContact CE1-CD2 3.33Å; H212-L214 VanDerWaalsContact NE2-CD2 3.3Å; H212-L214 WeakPolarHBondContact NE2-CD2 3.42Å; H212-L214 PolarHBondContact O-N 3.09Å
215G84.3Confident92.8Very high33 Ų3335.7 Ų35.734%0.3421%0.212SC..SBendtrans110.7177.8-177.900000113.2K218G215-K218 WeakPolarHBondContact O-CE 3.42Å; G215-K218 PolarHBondContact O-NZ 3.49Å
216K82.7Confident92.7Very high183 Ų18340 Ų4080%0.79623%0.226SC*.SBendtrans-74.6-40.2-176.8-68.3179.8180176.20111.7K218K216-K218 PolarHBondContact O-N 3.19Å
217T87.1Confident92.4Very high20 Ų2043.7 Ų43.712%0.12322%0.219CC..SBendtrans-83.9112179.8-50.30000110.1Y222 M240T217-Y222 HydrophobicContact CG2-CD2 4.2Å; T217-Y222 HydrophobicContact CG2-CE2 3.44Å; T217-Y222 VanDerWaalsContact CG2-CE2 3.44Å; T217-M240 VanDerWaalsContact O-CE 3.3Å; T217-M240 WeakPolarHBondContact O-CE 3.48Å
218K91.8Very high92.1Very high22 Ų2242.4 Ų42.410%0.09622%0.215CC..  trans-91.2161.5179.2-59-59.7179.3-176.10110.8D104 F213 G215 K216 W220 S221 Y222D104-K218 HydrophobicContact CB-CD 4.2Å; D104-K218 WeakPolarHBondContact OD2-CE 3.03Å; D104-K218 IonicContact OD2-NZ 2.84Å; D104-K218 PolarHBondContact OD2-NZ 2.97Å; F213-K218 PolarHBondContact O-NZ 3.27Å; F213-K218 VanDerWaalsContact O-NZ 3.16Å; G215-K218 WeakPolarHBondContact O-CE 3.42Å; G215-K218 PolarHBondContact O-NZ 3.49Å; K216-K218 PolarHBondContact O-N 3.19Å; K218-W220 HydrophobicContact CB-CD2 3.8Å; K218-W220 HydrophobicContact CB-CE3 4.28Å; K218-W220 HydrophobicContact CB-CG 4.33Å; K218-W220 HydrophobicContact CB-CH2 4.09Å; K218-W220 HydrophobicContact CB-CZ2 3.54Å; K218-W220 HydrophobicContact CB-CZ3 4.4Å; K218-W220 HydrophobicContact CD-CZ2 4.33Å; K218-W220 HydrophobicContact CG-CH2 4.25Å; K218-W220 HydrophobicContact CG-CZ2 3.62Å; K218-W220 PolarHBondContact O-N 3.18Å; K218-S221 PolarHBondContact N-OG 3.17Å; K218-S221 VanDerWaalsContact O-CB 3.23Å; K218-S221 WeakPolarHBondContact O-CB 3.35Å; K218-S221 PolarHBondContact O-N 3.12Å; K218-S221 PolarHBondContact O-OG 3.43Å; K218-Y222 WeakPolarHBondContact O-CD2 3.2Å
219P93.8Very high91.7Very high0 Ų048.1 Ų48.10%023%0.234CC..G310 helixtrans-53.7-40.3-178.8-29.737.1000113.9F213 S221 Y222 L245 W248 W249F213-P219 HydrophobicContact CB-CG 3.74Å; F213-P219 HydrophobicContact CD1-CG 3.94Å; F213-P219 HydrophobicContact CD2-CG 3.44Å; F213-P219 VanDerWaalsContact CD2-CG 3.44Å; F213-P219 HydrophobicContact CE1-CG 4.39Å; F213-P219 HydrophobicContact CE2-CG 3.95Å; F213-P219 HydrophobicContact CG-CG 3.43Å; F213-P219 VanDerWaalsContact CG-CG 3.43Å; F213-P219 HydrophobicContact CZ-CG 4.4Å; P219-S221 PolarHBondContact O-N 3.07Å; P219-Y222 WeakPolarHBondContact O-CD2 2.99Å; P219-Y222 PolarHBondContact O-N 3.12Å; P219-L245 HydrophobicContact CB-CD1 3.78Å; P219-L245 HydrophobicContact CG-CD1 4.34Å; P219-W248 HydrophobicContact CB-CB 4.48Å; P219-W248 HydrophobicContact CB-CD2 3.34Å; P219-W248 HydrophobicContact CB-CE3 3.57Å; P219-W248 HydrophobicContact CB-CG 3.74Å; P219-W248 HydrophobicContact CB-CH2 4.32Å; P219-W248 HydrophobicContact CB-CZ2 4.1Å; P219-W248 HydrophobicContact CB-CZ3 4.06Å; P219-W248 HydrophobicContact CG-CD2 4.23Å; P219-W248 HydrophobicContact CG-CG 4.2Å; P219-W249 VanDerWaalsContact O-CE2 3.27Å; P219-W249 WeakPolarHBondContact O-CZ2 2.88Å; P219-W249 PolarHBondContact O-NE1 3.3Å
220W94.1Very high91.3Very high22 Ų2252.1 Ų52.18%0.08325%0.253CS..G310 helixtrans-74.2-1178.154.977.9000114.9Y15 G18 D104 K218 Y222 W248Y15-W220 AromaticContact CD1-CH2 3.72Å; Y15-W220 HydrophobicContact CD1-CH2 3.72Å; Y15-W220 AromaticContact CD1-CZ2 3.79Å; Y15-W220 HydrophobicContact CD1-CZ2 3.79Å; Y15-W220 HydrophobicContact CD2-CZ2 4.05Å; Y15-W220 AromaticContact CE1-CH2 3.91Å; Y15-W220 HydrophobicContact CE1-CH2 3.91Å; Y15-W220 AromaticContact CE1-CZ2 3.83Å; Y15-W220 HydrophobicContact CE1-CZ2 3.83Å; Y15-W220 HydrophobicContact CE2-CZ2 4.11Å; Y15-W220 HydrophobicContact CG-CH2 4.18Å; Y15-W220 AromaticContact CG-CZ2 3.92Å; Y15-W220 HydrophobicContact CG-CZ2 3.92Å; Y15-W220 AromaticContact CZ-CZ2 3.99Å; G18-W220 VanDerWaalsContact CA-CZ3 3.49Å; D104-W220 HydrophobicContact CB-CH2 3.82Å; D104-W220 HydrophobicContact CB-CZ3 4.12Å; K218-W220 HydrophobicContact CB-CD2 3.8Å; K218-W220 HydrophobicContact CB-CE3 4.28Å; K218-W220 HydrophobicContact CB-CG 4.33Å; K218-W220 HydrophobicContact CB-CH2 4.09Å; K218-W220 HydrophobicContact CB-CZ2 3.54Å; K218-W220 HydrophobicContact CB-CZ3 4.4Å; K218-W220 HydrophobicContact CD-CZ2 4.33Å; K218-W220 HydrophobicContact CG-CH2 4.25Å; K218-W220 HydrophobicContact CG-CZ2 3.62Å; K218-W220 PolarHBondContact O-N 3.18Å; W220-Y222 VanDerWaalsContact C-N 3.34Å; W220-W248 HydrophobicContact CB-CH2 3.84Å; W220-W248 HydrophobicContact CB-CZ2 4.43Å; W220-W248 HydrophobicContact CE3-CH2 4.38Å; W220-W248 AromaticContact CE3-CZ2 3.82Å; W220-W248 HydrophobicContact CE3-CZ2 3.82Å
221S91.9Very high90.9Very high62 Ų6254.5 Ų54.543%0.43427%0.266SS..G310 helixtrans-84.2-11.4172.9-58.40000112.8K218 P219K218-S221 PolarHBondContact N-OG 3.17Å; K218-S221 VanDerWaalsContact O-CB 3.23Å; K218-S221 WeakPolarHBondContact O-CB 3.35Å; K218-S221 PolarHBondContact O-N 3.12Å; K218-S221 PolarHBondContact O-OG 3.43Å; P219-S221 PolarHBondContact O-N 3.07Å
222Y91.3Very high90.4Very high29 Ų2957.7 Ų57.711%0.11429%0.288CS..SBendtrans-88.8171.3177.1-65.3-96.7000111.8T217 K218 P219 W220 I231 S232 M240 L245 W249T217-Y222 HydrophobicContact CG2-CD2 4.2Å; T217-Y222 HydrophobicContact CG2-CE2 3.44Å; T217-Y222 VanDerWaalsContact CG2-CE2 3.44Å; K218-Y222 WeakPolarHBondContact O-CD2 3.2Å; P219-Y222 WeakPolarHBondContact O-CD2 2.99Å; P219-Y222 PolarHBondContact O-N 3.12Å; W220-Y222 VanDerWaalsContact C-N 3.34Å; Y222-I231 HydrophobicContact CD1-CG2 3.69Å; Y222-I231 HydrophobicContact CG-CG2 3.82Å; Y222-S232 WeakPolarHBondContact CA-O 3.23Å; Y222-M240 HydrophobicContact CE2-SD 4.31Å; Y222-L245 HydrophobicContact CD1-CD2 4.18Å; Y222-L245 HydrophobicContact CD2-CD1 4.15Å; Y222-L245 HydrophobicContact CD2-CD2 3.98Å; Y222-L245 HydrophobicContact CE1-CD2 4.06Å; Y222-L245 HydrophobicContact CE2-CD1 4.33Å; Y222-L245 HydrophobicContact CE2-CD2 3.86Å; Y222-L245 HydrophobicContact CG-CD2 4.15Å; Y222-W249 VanDerWaalsContact O-CH2 3.27Å; Y222-W249 WeakPolarHBondContact O-CH2 3.26Å; Y222-W249 WeakPolarHBondContact O-CZ2 3.34Å
223T92.3Very high89.3Confident45 Ų4560.5 Ų60.528%0.27632%0.318SS..EExtended strand (participates in β ladder)trans-110.9142.3168-61.70000109.6I231 S232 G272 V274T223-I231 CarbonylContact O-C 3.51Å; T223-I231 VanDerWaalsContact O-CA 3.31Å; T223-I231 WeakPolarHBondContact O-CA 3.24Å; T223-S232 PolarHBondContact N-O 3.47Å; T223-S232 PolarHBondContact O-N 3.46Å; T223-G272 CarbonylContact C-O 3.52Å; T223-G272 WeakPolarHBondContact CA-O 3.24Å; T223-V274 HydrophobicContact CG2-CG2 3.5Å; T223-V274 VanDerWaalsContact CG2-CG2 3.5Å
224F93.8Very high87.8Confident6 Ų662.2 Ų62.23%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-123.8123.2-178.9-179.5-118.8000112.5R226 R229 Q230 I231 L246 W249 A253 G272 C273 V274F224-R226 HydrophobicContact CD1-CG 4.16Å; F224-R226 HydrophobicContact CE1-CG 4.14Å; F224-R229 HydrophobicContact CE2-CB 4.41Å; F224-Q230 WeakPolarHBondContact CD2-O 3.42Å; F224-I231 HydrophobicContact CD2-CG1 3.69Å; F224-I231 HydrophobicContact CE2-CG1 4.28Å; F224-L246 HydrophobicContact CE2-CD1 3.76Å; F224-L246 HydrophobicContact CZ-CD1 4.3Å; F224-W249 HydrophobicContact CB-CB 4.25Å; F224-W249 HydrophobicContact CB-CD2 3.47Å; F224-W249 VanDerWaalsContact CB-CD2 3.47Å; F224-W249 HydrophobicContact CB-CE3 3.26Å; F224-W249 HydrophobicContact CB-CG 3.92Å; F224-W249 HydrophobicContact CB-CH2 4.41Å; F224-W249 HydrophobicContact CB-CZ3 3.77Å; F224-W249 HydrophobicContact CD1-CB 4.1Å; F224-W249 HydrophobicContact CD1-CE3 4.11Å; F224-W249 HydrophobicContact CD2-CB 3.8Å; F224-W249 HydrophobicContact CD2-CG 4.16Å; F224-W249 HydrophobicContact CE1-CB 4.38Å; F224-W249 HydrophobicContact CE2-CB 4.1Å; F224-W249 HydrophobicContact CG-CB 3.79Å; F224-W249 HydrophobicContact CG-CD2 4.02Å; F224-W249 AromaticContact CG-CE3 3.88Å; F224-W249 HydrophobicContact CG-CE3 3.88Å; F224-W249 HydrophobicContact CG-CG 4Å; F224-W249 HydrophobicContact CZ-CB 4.38Å; F224-A253 HydrophobicContact CD1-CB 3.84Å; F224-A253 HydrophobicContact CE1-CB 3.77Å; F224-G272 PolarHBondContact N-O 3.13Å; F224-C273 VanDerWaalsContact O-CA 3.3Å; F224-C273 WeakPolarHBondContact O-CA 3.5Å; F224-V274 PolarHBondContact O-N 2.82Å
225D91.8Very high86Confident32 Ų3265.8 Ų65.817%0.17136%0.359CS..EExtended strand (participates in β ladder)trans-88.5113.2169.4179.1-8.3000109.7K227 T228 R229 Q230 V274D225-K227 VanDerWaalsContact C-N 3.3Å; D225-K227 PolarHBondContact O-N 2.95Å; D225-K227 WeakPolarHBondContact OD1-CB 3.19Å; D225-K227 PolarHBondContact OD1-N 3.48Å; D225-T228 VanDerWaalsContact CB-OG1 3.29Å; D225-T228 WeakPolarHBondContact CB-OG1 3.16Å; D225-T228 PolarHBondContact OD1-N 2.99Å; D225-T228 WeakPolarHBondContact OD2-CB 3.41Å; D225-T228 VanDerWaalsContact OD2-CG2 3.24Å; D225-T228 WeakPolarHBondContact OD2-CG2 3.3Å; D225-T228 PolarHBondContact OD2-OG1 3.3Å; D225-R229 WeakPolarHBondContact O-CA 3.39Å; D225-R229 PolarHBondContact O-N 3.24Å; D225-Q230 PolarHBondContact N-O 2.82Å; D225-Q230 PolarHBondContact O-N 2.89Å; D225-V274 HydrophobicContact CB-CG2 4.27Å
226R89.7Confident84.4Confident100 Ų10073.9 Ų73.938%0.37739%0.388SS..THydrogen-bonded Turntrans-65-30.7-178.9-65.8178.7173.8-164.7-5113.6F224 A253 C273F224-R226 HydrophobicContact CD1-CG 4.16Å; F224-R226 HydrophobicContact CE1-CG 4.14Å; R226-A253 HydrophobicContact CG-CB 4.33Å; R226-A253 PolarHBondContact NH2-O 3.47Å; R226-C273 HydrophobicContact CG-CB 4.42Å; R226-C273 PolarHBondContact NE-SG 2.69Å; R226-C273 VanDerWaalsContact NE-SG 3.37Å
227K86.9Confident82.9Confident158 Ų15869.5 Ų69.569%0.68737%0.37SS*.THydrogen-bonded Turntrans-78.5-52.3-176.8-69.2-177.5179.7175.40110.6D225 R229 F276D225-K227 VanDerWaalsContact C-N 3.3Å; D225-K227 PolarHBondContact O-N 2.95Å; D225-K227 WeakPolarHBondContact OD1-CB 3.19Å; D225-K227 PolarHBondContact OD1-N 3.48Å; K227-R229 VanDerWaalsContact C-N 3.31Å; K227-F276 HydrophobicContact CD-CE2 4.2Å
228T89.8Confident81.2Confident76 Ų7672.3 Ų72.347%0.46639%0.389SS..THydrogen-bonded Turntrans-83.6-12.2-177.262.70000112.7D225 Q230D225-T228 VanDerWaalsContact CB-OG1 3.29Å; D225-T228 WeakPolarHBondContact CB-OG1 3.16Å; D225-T228 PolarHBondContact OD1-N 2.99Å; D225-T228 WeakPolarHBondContact OD2-CB 3.41Å; D225-T228 VanDerWaalsContact OD2-CG2 3.24Å; D225-T228 WeakPolarHBondContact OD2-CG2 3.3Å; D225-T228 PolarHBondContact OD2-OG1 3.3Å; T228-Q230 PolarHBondContact O-N 3.08Å; T228-Q230 WeakPolarHBondContact OG1-CB 3.15Å; T228-Q230 PolarHBondContact OG1-N 2.7Å
229R89.8Confident79.3Confident132 Ų13274.8 Ų74.850%0.49841%0.414SS..THydrogen-bonded Turntrans56.630-172.2-58-173.666.3175.21.6112.6F224 D225 K227 L246 T250F224-R229 HydrophobicContact CE2-CB 4.41Å; D225-R229 WeakPolarHBondContact O-CA 3.39Å; D225-R229 PolarHBondContact O-N 3.24Å; K227-R229 VanDerWaalsContact C-N 3.31Å; R229-L246 HydrophobicContact CB-CD1 4.29Å; R229-T250 PolarHBondContact NH2-OG1 3.22Å; R229-T250 VanDerWaalsContact NH2-OG1 3.12Å
230Q88.9Confident77.9Confident134 Ų13475.6 Ų75.663%0.62642%0.418SS*.EExtended strand (participates in β ladder)trans-94.3145.9178-67.7-172.5-7.800111.4F224 D225 T228F224-Q230 WeakPolarHBondContact CD2-O 3.42Å; D225-Q230 PolarHBondContact N-O 2.82Å; D225-Q230 PolarHBondContact O-N 2.89Å; T228-Q230 PolarHBondContact O-N 3.08Å; T228-Q230 WeakPolarHBondContact OG1-CB 3.15Å; T228-Q230 PolarHBondContact OG1-N 2.7Å
231I90.3Very high76.7Confident50 Ų5077.5 Ų77.526%0.25643%0.427SS..EExtended strand (participates in β ladder)trans-115.3131.4177.3-60.5158.5000107.9Y222 T223 F224 L245 L246 W249Y222-I231 HydrophobicContact CD1-CG2 3.69Å; Y222-I231 HydrophobicContact CG-CG2 3.82Å; T223-I231 CarbonylContact O-C 3.51Å; T223-I231 VanDerWaalsContact O-CA 3.31Å; T223-I231 WeakPolarHBondContact O-CA 3.24Å; F224-I231 HydrophobicContact CD2-CG1 3.69Å; F224-I231 HydrophobicContact CE2-CG1 4.28Å; I231-L245 HydrophobicContact CD1-CB 4.24Å; I231-L245 HydrophobicContact CD1-CD2 4.2Å; I231-L245 HydrophobicContact CD1-CG 3.8Å; I231-L245 HydrophobicContact CG2-CD2 3.92Å; I231-L245 HydrophobicContact CG2-CG 4.4Å; I231-L246 HydrophobicContact CD1-CB 4.09Å; I231-L246 HydrophobicContact CD1-CD1 4.32Å; I231-W249 HydrophobicContact CD1-CG 4.45Å; I231-W249 HydrophobicContact CG1-CG 4.37Å
232S88.2Confident75.9Confident67 Ų6778.7 Ų78.747%0.46943%0.433SS..EExtended strand (participates in β ladder)trans-135.3169.7-178.861.50000111.7Y222 T223Y222-S232 WeakPolarHBondContact CA-O 3.23Å; T223-S232 PolarHBondContact N-O 3.47Å; T223-S232 PolarHBondContact O-N 3.46Å
233G75Confident75.7Confident62 Ų6279.5 Ų79.564%0.63944%0.443SS*.  trans89.315.4171.500000117
234G62.8Low75.7Confident37 Ų3778.2 Ų78.238%0.38143%0.434SS..  trans-83.6134.4169.600000112.1
235V50.1Low75.7Confident111 Ų11178.4 Ų78.467%0.67344%0.435SS*.  trans-58.6150164.9-172.90000108.5E237V235-E237 PolarHBondContact O-N 2.97Å
236Q50.2Low75.8Confident204 Ų20479 Ų7995%0.95344%0.438SS*.SBendtrans-59.161.9-179.3-69.3171.6-16.600114
237E51.7Low76Confident90 Ų9077.7 Ų77.742%0.42144%0.439SS..SBendtrans-102.9157169.4-75.2-170.4177.800109.9V235 A239V235-E237 PolarHBondContact O-N 2.97Å; E237-A239 PolarHBondContact O-N 3.16Å
238P50.6Low76.5Confident79 Ų7970.2 Ų70.251%0.51341%0.406SS..SBendtrans-54.4112.5179.2-20.130.7000109.3Y195 M240Y195-P238 HydrophobicContact CD1-CB 3.72Å; Y195-P238 HydrophobicContact CD1-CG 4.47Å; Y195-P238 HydrophobicContact CD2-CB 4.02Å; Y195-P238 HydrophobicContact CD2-CG 4.37Å; Y195-P238 HydrophobicContact CE1-CB 3.97Å; Y195-P238 HydrophobicContact CE1-CG 4.26Å; Y195-P238 HydrophobicContact CE2-CB 4.28Å; Y195-P238 HydrophobicContact CE2-CG 4.19Å; Y195-P238 HydrophobicContact CG-CB 3.77Å; P238-M240 PolarHBondContact O-N 2.84Å
239A53.4Low76.9Confident75 Ų7566.7 Ų66.762%0.6238%0.384SS*.  trans-53.4123.3-167.700000110.7E237 H241E237-A239 PolarHBondContact O-N 3.16Å; A239-H241 PolarHBondContact O-N 3.37Å
240M62.9Low77.2Confident17 Ų1762.4 Ų62.48%0.08437%0.373CS..  trans-41.6138.8159.5-70-179.2158.700108.9F213 T217 Y222 P238 P242 L245F213-M240 HydrophobicContact CB-CE 3.52Å; F213-M240 HydrophobicContact CD1-CE 3.55Å; F213-M240 HydrophobicContact CD1-SD 3.62Å; F213-M240 HydrophobicContact CE1-SD 4.23Å; F213-M240 HydrophobicContact CG-CE 3.95Å; F213-M240 HydrophobicContact CG-SD 4.5Å; T217-M240 VanDerWaalsContact O-CE 3.3Å; T217-M240 WeakPolarHBondContact O-CE 3.48Å; Y222-M240 HydrophobicContact CE2-SD 4.31Å; P238-M240 PolarHBondContact O-N 2.84Å; M240-P242 VanDerWaalsContact O-CD 3.26Å; M240-P242 WeakPolarHBondContact O-CD 3.41Å; M240-L245 HydrophobicContact SD-CD1 4.07Å; M240-L245 HydrophobicContact SD-CD2 4.34Å
241H69Low77.6Confident61 Ų6157.1 Ų57.128%0.28235%0.349SS..  trans-53.7118-179.1-168.1-85.2000109.7I194 F201 A239 S243 F244 L245I194-H241 HydrophobicContact CD1-CB 3.51Å; I194-H241 HydrophobicContact CG2-CB 3.71Å; F201-H241 AromaticContact CE1-CD2 3.41Å; F201-H241 VanDerWaalsContact CE1-CD2 3.41Å; F201-H241 WeakPolarHBondContact CE1-CD2 3.44Å; F201-H241 AromaticContact CE1-NE2 3.62Å; F201-H241 AromaticContact CZ-CD2 3.86Å; A239-H241 PolarHBondContact O-N 3.37Å; H241-S243 PolarHBondContact CE1-OG 2.99Å; H241-S243 PolarHBondContact ND1-OG 2.65Å; H241-S243 PolarHBondContact O-N 3.17Å; H241-F244 HydrophobicContact CB-CD2 3.96Å; H241-F244 HydrophobicContact CB-CE2 4.42Å; H241-F244 PolarHBondContact O-N 3.4Å; H241-L245 PolarHBondContact O-N 3.35Å
242P76.4Confident78Confident87 Ų8754.8 Ų54.857%0.56534%0.337SS*.Hα-helixtrans-55.8-30.8-165.5-30.635.2000113.7M240 L246M240-P242 VanDerWaalsContact O-CD 3.26Å; M240-P242 WeakPolarHBondContact O-CD 3.41Å; P242-L246 WeakPolarHBondContact O-CB 3.32Å; P242-L246 PolarHBondContact O-N 3.43Å
243S86.8Confident78.4Confident47 Ų4751.9 Ų51.933%0.32932%0.317SS..Hα-helixtrans-66-39.3178.868.50000113.7H241 L246 N247H241-S243 PolarHBondContact CE1-OG 2.99Å; H241-S243 PolarHBondContact ND1-OG 2.65Å; H241-S243 PolarHBondContact O-N 3.17Å; S243-L246 PolarHBondContact O-N 3.46Å; S243-N247 WeakPolarHBondContact O-CB 3.47Å; S243-N247 PolarHBondContact O-N 2.98Å; S243-N247 PolarHBondContact O-OD1 3.05Å
244F92.6Very high79.4Confident18 Ų1852.6 Ų52.68%0.07931%0.312CS..Hα-helixtrans-73.9-40.1-178.1-63.2-39.6000111.4L108 L189 I194 F201 A208 V211 F213 H241 L246 N247 W248L108-F244 HydrophobicContact CD1-CD1 4Å; L108-F244 HydrophobicContact CD1-CE1 3.57Å; L108-F244 HydrophobicContact CD1-CZ 4.3Å; L189-F244 HydrophobicContact CD2-CE2 4.16Å; L189-F244 HydrophobicContact CD2-CZ 4.42Å; I194-F244 HydrophobicContact CD1-CD2 3.63Å; I194-F244 HydrophobicContact CD1-CE2 3.64Å; F201-F244 AromaticContact CE2-CE2 3.77Å; F201-F244 HydrophobicContact CE2-CE2 3.77Å; F201-F244 HydrophobicContact CE2-CZ 4.11Å; F201-F244 AromaticContact CZ-CE2 3.8Å; F201-F244 HydrophobicContact CZ-CE2 3.8Å; F201-F244 HydrophobicContact CZ-CZ 4.09Å; A208-F244 HydrophobicContact CB-CZ 4.2Å; V211-F244 HydrophobicContact CG1-CB 4.19Å; V211-F244 HydrophobicContact CG1-CD2 4Å; V211-F244 HydrophobicContact CG1-CG 4.22Å; V211-F244 HydrophobicContact CG2-CB 4.38Å; V211-F244 HydrophobicContact CG2-CD1 3.83Å; V211-F244 HydrophobicContact CG2-CD2 3.7Å; V211-F244 HydrophobicContact CG2-CE1 3.93Å; V211-F244 HydrophobicContact CG2-CE2 3.8Å; V211-F244 HydrophobicContact CG2-CG 3.73Å; V211-F244 HydrophobicContact CG2-CZ 3.92Å; F213-F244 HydrophobicContact CE1-CB 4.08Å; F213-F244 HydrophobicContact CZ-CB 4.15Å; H241-F244 HydrophobicContact CB-CD2 3.96Å; H241-F244 HydrophobicContact CB-CE2 4.42Å; H241-F244 PolarHBondContact O-N 3.4Å; F244-L246 VanDerWaalsContact C-N 3.33Å; F244-N247 WeakPolarHBondContact O-CB 3.45Å; F244-N247 PolarHBondContact O-N 3.25Å; F244-W248 PolarHBondContact O-N 2.82Å
245L92.7Very high81Confident9 Ų952.3 Ų52.35%0.04730%0.303CS..Hα-helixtrans-63.8-41.1173.6-173.858.4000110.9P219 Y222 I231 M240 H241 N247 W248 W249P219-L245 HydrophobicContact CB-CD1 3.78Å; P219-L245 HydrophobicContact CG-CD1 4.34Å; Y222-L245 HydrophobicContact CD1-CD2 4.18Å; Y222-L245 HydrophobicContact CD2-CD1 4.15Å; Y222-L245 HydrophobicContact CD2-CD2 3.98Å; Y222-L245 HydrophobicContact CE1-CD2 4.06Å; Y222-L245 HydrophobicContact CE2-CD1 4.33Å; Y222-L245 HydrophobicContact CE2-CD2 3.86Å; Y222-L245 HydrophobicContact CG-CD2 4.15Å; I231-L245 HydrophobicContact CD1-CB 4.24Å; I231-L245 HydrophobicContact CD1-CD2 4.2Å; I231-L245 HydrophobicContact CD1-CG 3.8Å; I231-L245 HydrophobicContact CG2-CD2 3.92Å; I231-L245 HydrophobicContact CG2-CG 4.4Å; M240-L245 HydrophobicContact SD-CD1 4.07Å; M240-L245 HydrophobicContact SD-CD2 4.34Å; H241-L245 PolarHBondContact O-N 3.35Å; L245-N247 VanDerWaalsContact C-N 3.35Å; L245-N247 PolarHBondContact O-N 3.48Å; L245-W248 PolarHBondContact O-N 3.25Å; L245-W249 PolarHBondContact O-N 2.67Å
246L93.4Very high83.3Confident44 Ų4447 Ų4723%0.2327%0.271CS..Hα-helixtrans-62.4-39.4173.6-178.961.5000112.5F224 R229 I231 P242 S243 F244 W249 T250F224-L246 HydrophobicContact CE2-CD1 3.76Å; F224-L246 HydrophobicContact CZ-CD1 4.3Å; R229-L246 HydrophobicContact CB-CD1 4.29Å; I231-L246 HydrophobicContact CD1-CB 4.09Å; I231-L246 HydrophobicContact CD1-CD1 4.32Å; P242-L246 WeakPolarHBondContact O-CB 3.32Å; P242-L246 PolarHBondContact O-N 3.43Å; S243-L246 PolarHBondContact O-N 3.46Å; F244-L246 VanDerWaalsContact C-N 3.33Å; L246-W249 PolarHBondContact O-N 3.49Å; L246-T250 WeakPolarHBondContact O-CB 3.16Å; L246-T250 PolarHBondContact O-N 3.1Å; L246-T250 PolarHBondContact O-OG1 3.39Å
247N95.5Very high85.5Confident74 Ų7437.3 Ų37.340%0.39623%0.225SC..Hα-helixtrans-62.2-45.5175.1-72.5-10.4000111.2L106 S243 F244 L245 T250 L251L106-N247 HydrophobicContact CD2-CB 4.06Å; S243-N247 WeakPolarHBondContact O-CB 3.47Å; S243-N247 PolarHBondContact O-N 2.98Å; S243-N247 PolarHBondContact O-OD1 3.05Å; F244-N247 WeakPolarHBondContact O-CB 3.45Å; F244-N247 PolarHBondContact O-N 3.25Å; L245-N247 VanDerWaalsContact C-N 3.35Å; L245-N247 PolarHBondContact O-N 3.48Å; N247-T250 PolarHBondContact O-N 2.78Å; N247-L251 WeakPolarHBondContact O-CB 3.34Å; N247-L251 PolarHBondContact O-N 3.01Å
248W97.4Very high87.6Confident0 Ų035.7 Ų35.70%022%0.223CC..Hα-helixtrans-57.9-51.3176.3-170.998000111.1V21 L106 F213 P219 W220 F244 L245 L251 Y252V21-W248 HydrophobicContact CB-CZ2 4.27Å; V21-W248 HydrophobicContact CG1-CD2 4.35Å; V21-W248 HydrophobicContact CG1-CG 4.04Å; V21-W248 HydrophobicContact CG2-CD2 4.33Å; V21-W248 HydrophobicContact CG2-CH2 4.3Å; V21-W248 HydrophobicContact CG2-CZ2 3.66Å; L106-W248 HydrophobicContact CD2-CB 4.27Å; F213-W248 HydrophobicContact CE2-CB 4.24Å; F213-W248 AromaticContact CE2-CD1 3.74Å; F213-W248 HydrophobicContact CE2-CG 4.24Å; F213-W248 HydrophobicContact CZ-CB 4.12Å; P219-W248 HydrophobicContact CB-CB 4.48Å; P219-W248 HydrophobicContact CB-CD2 3.34Å; P219-W248 HydrophobicContact CB-CE3 3.57Å; P219-W248 HydrophobicContact CB-CG 3.74Å; P219-W248 HydrophobicContact CB-CH2 4.32Å; P219-W248 HydrophobicContact CB-CZ2 4.1Å; P219-W248 HydrophobicContact CB-CZ3 4.06Å; P219-W248 HydrophobicContact CG-CD2 4.23Å; P219-W248 HydrophobicContact CG-CG 4.2Å; W220-W248 HydrophobicContact CB-CH2 3.84Å; W220-W248 HydrophobicContact CB-CZ2 4.43Å; W220-W248 HydrophobicContact CE3-CH2 4.38Å; W220-W248 AromaticContact CE3-CZ2 3.82Å; W220-W248 HydrophobicContact CE3-CZ2 3.82Å; F244-W248 PolarHBondContact O-N 2.82Å; L245-W248 PolarHBondContact O-N 3.25Å; W248-L251 PolarHBondContact O-N 3.19Å; W248-Y252 HydrophobicContact CH2-CD1 4.33Å; W248-Y252 AromaticContact CH2-CD2 3.95Å; W248-Y252 HydrophobicContact CH2-CD2 3.95Å; W248-Y252 AromaticContact CH2-CG 3.86Å; W248-Y252 HydrophobicContact CH2-CG 3.86Å; W248-Y252 HydrophobicContact CZ2-CD2 4.5Å; W248-Y252 HydrophobicContact CZ3-CD1 4.12Å; W248-Y252 HydrophobicContact CZ3-CD2 4.43Å; W248-Y252 AromaticContact CZ3-CG 3.86Å; W248-Y252 HydrophobicContact CZ3-CG 3.86Å; W248-Y252 WeakPolarHBondContact O-CB 3.26Å; W248-Y252 PolarHBondContact O-N 2.92Å
249W96.9Very high89.8Confident2 Ų234.2 Ų34.21%0.00821%0.21CC..Hα-helixtrans-66.3-38.8179.9-85.5106.6000113.5P219 Y222 F224 I231 L245 L246 L251 Y252 A253P219-W249 VanDerWaalsContact O-CE2 3.27Å; P219-W249 WeakPolarHBondContact O-CZ2 2.88Å; P219-W249 PolarHBondContact O-NE1 3.3Å; Y222-W249 VanDerWaalsContact O-CH2 3.27Å; Y222-W249 WeakPolarHBondContact O-CH2 3.26Å; Y222-W249 WeakPolarHBondContact O-CZ2 3.34Å; F224-W249 HydrophobicContact CB-CB 4.25Å; F224-W249 HydrophobicContact CB-CD2 3.47Å; F224-W249 VanDerWaalsContact CB-CD2 3.47Å; F224-W249 HydrophobicContact CB-CE3 3.26Å; F224-W249 HydrophobicContact CB-CG 3.92Å; F224-W249 HydrophobicContact CB-CH2 4.41Å; F224-W249 HydrophobicContact CB-CZ3 3.77Å; F224-W249 HydrophobicContact CD1-CB 4.1Å; F224-W249 HydrophobicContact CD1-CE3 4.11Å; F224-W249 HydrophobicContact CD2-CB 3.8Å; F224-W249 HydrophobicContact CD2-CG 4.16Å; F224-W249 HydrophobicContact CE1-CB 4.38Å; F224-W249 HydrophobicContact CE2-CB 4.1Å; F224-W249 HydrophobicContact CG-CB 3.79Å; F224-W249 HydrophobicContact CG-CD2 4.02Å; F224-W249 AromaticContact CG-CE3 3.88Å; F224-W249 HydrophobicContact CG-CE3 3.88Å; F224-W249 HydrophobicContact CG-CG 4Å; F224-W249 HydrophobicContact CZ-CB 4.38Å; I231-W249 HydrophobicContact CD1-CG 4.45Å; I231-W249 HydrophobicContact CG1-CG 4.37Å; L245-W249 PolarHBondContact O-N 2.67Å; L246-W249 PolarHBondContact O-N 3.49Å; W249-L251 VanDerWaalsContact C-N 3.33Å; W249-L251 PolarHBondContact O-N 3.33Å; W249-Y252 AromaticContact CE3-CD1 3.81Å; W249-Y252 HydrophobicContact CE3-CD1 3.81Å; W249-Y252 AromaticContact CZ3-CD1 3.67Å; W249-Y252 HydrophobicContact CZ3-CD1 3.67Å; W249-Y252 AromaticContact CZ3-CE1 3.92Å; W249-Y252 HydrophobicContact CZ3-CE1 3.92Å; W249-Y252 PolarHBondContact O-N 3.49Å; W249-A253 WeakPolarHBondContact O-CB 3.45Å; W249-A253 PolarHBondContact O-N 2.78Å
250T96.6Very high91.8Very high43 Ų4330.8 Ų30.826%0.26418%0.181SC..Hα-helixtrans-61.3-45.5176.4-59.80000109.9R229 L246 N247 S254R229-T250 PolarHBondContact NH2-OG1 3.22Å; R229-T250 VanDerWaalsContact NH2-OG1 3.12Å; L246-T250 WeakPolarHBondContact O-CB 3.16Å; L246-T250 PolarHBondContact O-N 3.1Å; L246-T250 PolarHBondContact O-OG1 3.39Å; N247-T250 PolarHBondContact O-N 2.78Å; T250-S254 VanDerWaalsContact O-CB 3.28Å; T250-S254 WeakPolarHBondContact O-CB 3.46Å; T250-S254 PolarHBondContact O-N 3.07Å; T250-S254 VanDerWaalsContact O-N 3.13Å; T250-S254 PolarHBondContact O-OG 3.13Å
251L97.9Very high93.3Very high22 Ų2233.6 Ų33.612%0.11519%0.194CC..Hα-helixtrans-66.2-48.3177.2-178.855.7000111.7V21 K24 N28 L106 N247 W248 W249 S254 T255V21-L251 HydrophobicContact CG1-CB 4.47Å; V21-L251 HydrophobicContact CG1-CD2 3.87Å; V21-L251 HydrophobicContact CG1-CG 4.25Å; K24-L251 HydrophobicContact CB-CD1 4.24Å; K24-L251 HydrophobicContact CB-CD2 4.27Å; K24-L251 HydrophobicContact CB-CG 4.4Å; N28-L251 WeakPolarHBondContact ND2-CD1 3.32Å; L106-L251 HydrophobicContact CD1-CD2 4.28Å; N247-L251 WeakPolarHBondContact O-CB 3.34Å; N247-L251 PolarHBondContact O-N 3.01Å; W248-L251 PolarHBondContact O-N 3.19Å; W249-L251 VanDerWaalsContact C-N 3.33Å; W249-L251 PolarHBondContact O-N 3.33Å; L251-S254 PolarHBondContact O-N 3.37Å; L251-S254 PolarHBondContact O-OG 3.4Å; L251-T255 HydrophobicContact CD1-CG2 3.88Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.34Å; L251-T255 PolarHBondContact O-N 3.31Å; L251-T255 PolarHBondContact O-OG1 3.18Å
252Y98Very high94.6Very high1 Ų137.4 Ų37.40%0.00421%0.212CC..Iπ-helixtrans-57.1-52.4178.2178.4-104.5000111.9R17 V21 W248 W249 S254 V256 V257 L260 S271R17-Y252 HydrophobicContact CB-CE2 3.92Å; R17-Y252 VanDerWaalsContact CD-OH 3.24Å; R17-Y252 WeakPolarHBondContact CD-OH 3.31Å; R17-Y252 HydrophobicContact CG-CE2 3.86Å; V21-Y252 HydrophobicContact CG2-CD2 3.71Å; V21-Y252 HydrophobicContact CG2-CG 4.15Å; W248-Y252 HydrophobicContact CH2-CD1 4.33Å; W248-Y252 AromaticContact CH2-CD2 3.95Å; W248-Y252 HydrophobicContact CH2-CD2 3.95Å; W248-Y252 AromaticContact CH2-CG 3.86Å; W248-Y252 HydrophobicContact CH2-CG 3.86Å; W248-Y252 HydrophobicContact CZ2-CD2 4.5Å; W248-Y252 HydrophobicContact CZ3-CD1 4.12Å; W248-Y252 HydrophobicContact CZ3-CD2 4.43Å; W248-Y252 AromaticContact CZ3-CG 3.86Å; W248-Y252 HydrophobicContact CZ3-CG 3.86Å; W248-Y252 WeakPolarHBondContact O-CB 3.26Å; W248-Y252 PolarHBondContact O-N 2.92Å; W249-Y252 AromaticContact CE3-CD1 3.81Å; W249-Y252 HydrophobicContact CE3-CD1 3.81Å; W249-Y252 AromaticContact CZ3-CD1 3.67Å; W249-Y252 HydrophobicContact CZ3-CD1 3.67Å; W249-Y252 AromaticContact CZ3-CE1 3.92Å; W249-Y252 HydrophobicContact CZ3-CE1 3.92Å; W249-Y252 PolarHBondContact O-N 3.49Å; Y252-S254 PolarHBondContact O-N 3.44Å; Y252-V256 HydrophobicContact CD2-CB 3.62Å; Y252-V256 HydrophobicContact CD2-CG1 3.72Å; Y252-V256 HydrophobicContact CD2-CG2 4.14Å; Y252-V256 HydrophobicContact CE2-CB 3.9Å; Y252-V256 HydrophobicContact CE2-CG1 3.53Å; Y252-V256 HydrophobicContact CG-CB 4.42Å; Y252-V256 WeakPolarHBondContact O-CA 3.48Å; Y252-V256 WeakPolarHBondContact O-CB 3.42Å; Y252-V256 PolarHBondContact O-N 3.5Å; Y252-V257 HydrophobicContact CD1-CG2 3.73Å; Y252-V257 HydrophobicContact CE1-CG2 3.25Å; Y252-V257 HydrophobicContact CE2-CG2 4.37Å; Y252-V257 HydrophobicContact CG-CG2 4.45Å; Y252-V257 PolarHBondContact O-N 2.67Å; Y252-L260 HydrophobicContact CE2-CD1 4.26Å; Y252-S271 VanDerWaalsContact CE1-O 3.23Å; Y252-S271 WeakPolarHBondContact CE1-O 3.14Å; Y252-S271 PolarHBondContact OH-O 3.31Å
253A97Very high95.5Very high7 Ų736.4 Ų36.46%0.05820%0.2CC..Iπ-helixtrans-66.1-36.9-176.400000113.2F224 R226 W249F224-A253 HydrophobicContact CD1-CB 3.84Å; F224-A253 HydrophobicContact CE1-CB 3.77Å; R226-A253 HydrophobicContact CG-CB 4.33Å; R226-A253 PolarHBondContact NH2-O 3.47Å; W249-A253 WeakPolarHBondContact O-CB 3.45Å; W249-A253 PolarHBondContact O-N 2.78Å
254S96.2Very high95.7Very high76 Ų7636.4 Ų36.453%0.53119%0.193SC..Iπ-helixtrans-83-27.3-176.759.60000114T250 L251 Y252T250-S254 VanDerWaalsContact O-CB 3.28Å; T250-S254 WeakPolarHBondContact O-CB 3.46Å; T250-S254 PolarHBondContact O-N 3.07Å; T250-S254 VanDerWaalsContact O-N 3.13Å; T250-S254 PolarHBondContact O-OG 3.13Å; L251-S254 PolarHBondContact O-N 3.37Å; L251-S254 PolarHBondContact O-OG 3.4Å; Y252-S254 PolarHBondContact O-N 3.44Å
255T95.9Very high95.6Very high31 Ų3138 Ų3819%0.1921%0.214CC..Iπ-helixtrans-119.9-43.2-17364.50000114L251 M259L251-T255 HydrophobicContact CD1-CG2 3.88Å; L251-T255 WeakPolarHBondContact CD1-OG1 3.34Å; L251-T255 PolarHBondContact O-N 3.31Å; L251-T255 PolarHBondContact O-OG1 3.18Å; T255-M259 WeakPolarHBondContact O-CG 3.3Å
256V97.1Very high95.4Very high0 Ų045.9 Ų45.90%026%0.256CS..Iπ-helixtrans-85-43.2-172.6-179.70000111.2M20 V21 K24 Y252 M259 L260M20-V256 HydrophobicContact CB-CB 4.45Å; M20-V256 HydrophobicContact CB-CG1 3.68Å; M20-V256 HydrophobicContact CB-CG2 3.85Å; M20-V256 HydrophobicContact CG-CG1 4.14Å; M20-V256 HydrophobicContact SD-CG1 3.45Å; M20-V256 WeakPolarHBondContact SD-CG1 3.11Å; V21-V256 HydrophobicContact CG2-CG2 4.13Å; K24-V256 HydrophobicContact CG-CG2 4.33Å; Y252-V256 HydrophobicContact CD2-CB 3.62Å; Y252-V256 HydrophobicContact CD2-CG1 3.72Å; Y252-V256 HydrophobicContact CD2-CG2 4.14Å; Y252-V256 HydrophobicContact CE2-CB 3.9Å; Y252-V256 HydrophobicContact CE2-CG1 3.53Å; Y252-V256 HydrophobicContact CG-CB 4.42Å; Y252-V256 WeakPolarHBondContact O-CA 3.48Å; Y252-V256 WeakPolarHBondContact O-CB 3.42Å; Y252-V256 PolarHBondContact O-N 3.5Å; V256-M259 WeakPolarHBondContact O-CB 3.03Å; V256-M259 PolarHBondContact O-N 2.92Å; V256-L260 HydrophobicContact CG1-CD1 3.86Å; V256-L260 HydrophobicContact CG1-CG 4.28Å; V256-L260 PolarHBondContact O-N 3.35Å
257V96.3Very high95.1Very high0 Ų051.1 Ų51.10%028%0.277CS..Hα-helixtrans-61-43.7-178.6178.40000112.9Y252 M259 L260 Q261 F269Y252-V257 HydrophobicContact CD1-CG2 3.73Å; Y252-V257 HydrophobicContact CE1-CG2 3.25Å; Y252-V257 HydrophobicContact CE2-CG2 4.37Å; Y252-V257 HydrophobicContact CG-CG2 4.45Å; Y252-V257 PolarHBondContact O-N 2.67Å; V257-M259 VanDerWaalsContact C-N 3.29Å; V257-M259 PolarHBondContact O-N 3.47Å; V257-L260 PolarHBondContact O-N 3.06Å; V257-Q261 HydrophobicContact CG1-CG 4.11Å; V257-Q261 WeakPolarHBondContact O-CG 3.27Å; V257-Q261 PolarHBondContact O-N 2.82Å; V257-F269 HydrophobicContact CG1-CZ 4.28Å
258P96.1Very high94.5Very high56 Ų5653.6 Ų53.636%0.36430%0.297SS..Hα-helixtrans-58.4-40.2174.9-25.936000113Q261 E262P258-Q261 PolarHBondContact O-N 3.38Å; P258-E262 PolarHBondContact O-N 2.91Å
259M97.1Very high94.1Very high48 Ų4855.6 Ų55.624%0.23631%0.306CS..Hα-helixtrans-65-40.2176.1-64.2176.2-176.900111.7V50 I54 T255 V256 V257 E262 Q263V50-M259 HydrophobicContact CG1-CB 3.83Å; V50-M259 HydrophobicContact CG1-SD 4.2Å; V50-M259 HydrophobicContact CG2-CB 3.97Å; V50-M259 WeakPolarHBondContact CG2-O 3.23Å; I54-M259 HydrophobicContact CD1-SD 4.18Å; I54-M259 HydrophobicContact CG1-SD 4.2Å; T255-M259 WeakPolarHBondContact O-CG 3.3Å; V256-M259 WeakPolarHBondContact O-CB 3.03Å; V256-M259 PolarHBondContact O-N 2.92Å; V257-M259 VanDerWaalsContact C-N 3.29Å; V257-M259 PolarHBondContact O-N 3.47Å; M259-E262 PolarHBondContact O-N 3.46Å; M259-Q263 WeakPolarHBondContact O-CG 3.5Å; M259-Q263 PolarHBondContact O-N 2.85Å
260L95.7Very high93.7Very high3 Ų361.9 Ų61.92%0.01634%0.335CS..Hα-helixtrans-65.7-45.1174.8-72167.2000111M20 V50 Y252 V256 V257 E262 Q263 Y264 F269M20-L260 HydrophobicContact CE-CD2 4.13Å; M20-L260 HydrophobicContact SD-CD1 4.37Å; M20-L260 HydrophobicContact SD-CD2 4.19Å; M20-L260 HydrophobicContact SD-CG 4.4Å; V50-L260 HydrophobicContact CB-CD2 4.33Å; V50-L260 HydrophobicContact CG2-CD2 3.78Å; V50-L260 HydrophobicContact CG2-CG 4.16Å; Y252-L260 HydrophobicContact CE2-CD1 4.26Å; V256-L260 HydrophobicContact CG1-CD1 3.86Å; V256-L260 HydrophobicContact CG1-CG 4.28Å; V256-L260 PolarHBondContact O-N 3.35Å; V257-L260 PolarHBondContact O-N 3.06Å; L260-E262 VanDerWaalsContact C-N 3.26Å; L260-E262 PolarHBondContact O-N 2.97Å; L260-Q263 PolarHBondContact O-N 2.91Å; L260-Y264 HydrophobicContact CB-CD2 4.41Å; L260-Y264 HydrophobicContact CD2-CE2 4.1Å; L260-Y264 VanDerWaalsContact O-CD2 3.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.48Å; L260-Y264 PolarHBondContact O-N 2.91Å; L260-F269 HydrophobicContact CB-CE2 3.76Å; L260-F269 HydrophobicContact CB-CZ 3.72Å; L260-F269 HydrophobicContact CD1-CE2 4.19Å
261Q94.5Very high93.4Very high77 Ų7760 Ų6036%0.3632%0.324SS..Hα-helixtrans-54.9-43.1176.2-74.8173.1-34.900111.6V257 P258 Q263 Y264 G265 F269V257-Q261 HydrophobicContact CG1-CG 4.11Å; V257-Q261 WeakPolarHBondContact O-CG 3.27Å; V257-Q261 PolarHBondContact O-N 2.82Å; P258-Q261 PolarHBondContact O-N 3.38Å; Q261-Q263 PolarHBondContact O-N 3.35Å; Q261-Y264 PolarHBondContact O-N 2.9Å; Q261-G265 PolarHBondContact O-N 3.43Å; Q261-F269 HydrophobicContact CB-CE1 4.32Å; Q261-F269 HydrophobicContact CG-CE1 3.62Å; Q261-F269 HydrophobicContact CG-CZ 3.69Å
262E95.4Very high93Very high140 Ų14059.1 Ų59.165%0.65432%0.32SS*.Hα-helixtrans-60.6-43175-172.9-177.6-178.600112.5P258 M259 L260P258-E262 PolarHBondContact O-N 2.91Å; M259-E262 PolarHBondContact O-N 3.46Å; L260-E262 VanDerWaalsContact C-N 3.26Å; L260-E262 PolarHBondContact O-N 2.97Å
263Q95.5Very high92.6Very high67 Ų6759.7 Ų59.731%0.31332%0.324SS..Hα-helixtrans-77-29.5-178.4-63.2-53.1-58.600114P46 S49 V50 M259 L260 Q261P46-Q263 HydrophobicContact CB-CB 3.96Å; S49-Q263 PolarHBondContact OG-OE1 3.25Å; V50-Q263 HydrophobicContact CG2-CB 4.27Å; V50-Q263 HydrophobicContact CG2-CG 3.58Å; M259-Q263 WeakPolarHBondContact O-CG 3.5Å; M259-Q263 PolarHBondContact O-N 2.85Å; L260-Q263 PolarHBondContact O-N 2.91Å; Q261-Q263 PolarHBondContact O-N 3.35Å
264Y91.2Very high92.1Very high47 Ų4762.3 Ų62.318%0.18434%0.339CS..Hα-helixtrans-81.6-24.5175-82.7-91000112.3S44 P46 L260 Q261 D266 K267 F269S44-Y264 PolarHBondContact OG-OH 3.48Å; P46-Y264 HydrophobicContact CB-CD1 4.46Å; P46-Y264 HydrophobicContact CB-CD2 3.64Å; P46-Y264 HydrophobicContact CB-CE1 4.24Å; P46-Y264 HydrophobicContact CB-CE2 3.37Å; P46-Y264 HydrophobicContact CB-CG 4.19Å; P46-Y264 HydrophobicContact CG-CD1 4.26Å; P46-Y264 HydrophobicContact CG-CD2 4.3Å; P46-Y264 HydrophobicContact CG-CE1 4.02Å; P46-Y264 HydrophobicContact CG-CE2 4.07Å; P46-Y264 HydrophobicContact CG-CG 4.4Å; L260-Y264 HydrophobicContact CB-CD2 4.41Å; L260-Y264 HydrophobicContact CD2-CE2 4.1Å; L260-Y264 VanDerWaalsContact O-CD2 3.3Å; L260-Y264 WeakPolarHBondContact O-CD2 3.48Å; L260-Y264 PolarHBondContact O-N 2.91Å; Q261-Y264 PolarHBondContact O-N 2.9Å; Y264-D266 PolarHBondContact O-N 3.15Å; Y264-K267 HydrophobicContact CD1-CB 4.41Å; Y264-K267 WeakPolarHBondContact O-CB 3.29Å; Y264-K267 PolarHBondContact O-N 3.42Å; Y264-K267 VanDerWaalsContact O-N 3.13Å; Y264-F269 HydrophobicContact CD1-CB 3.65Å; Y264-F269 HydrophobicContact CD1-CD1 4.27Å; Y264-F269 HydrophobicContact CD1-CG 4.17Å; Y264-F269 HydrophobicContact CD2-CB 4.13Å; Y264-F269 AromaticContact CD2-CD1 3.87Å; Y264-F269 HydrophobicContact CD2-CD1 3.87Å; Y264-F269 HydrophobicContact CD2-CD2 4.3Å; Y264-F269 HydrophobicContact CD2-CE1 4.35Å; Y264-F269 AromaticContact CD2-CG 3.83Å; Y264-F269 HydrophobicContact CD2-CG 3.83Å; Y264-F269 HydrophobicContact CE1-CB 3.65Å; Y264-F269 HydrophobicContact CE1-CG 4.4Å; Y264-F269 HydrophobicContact CE2-CB 4.13Å; Y264-F269 HydrophobicContact CE2-CD2 4.27Å; Y264-F269 HydrophobicContact CE2-CG 4.07Å; Y264-F269 HydrophobicContact CG-CB 3.9Å; Y264-F269 AromaticContact CG-CD1 3.7Å; Y264-F269 HydrophobicContact CG-CD1 3.7Å; Y264-F269 HydrophobicContact CG-CE1 4.44Å; Y264-F269 AromaticContact CG-CG 3.89Å; Y264-F269 HydrophobicContact CG-CG 3.89Å
265G91.3Very high90.9Very high50 Ų5064.7 Ų64.752%0.51534%0.342SS..THydrogen-bonded Turntrans58.9-130.4-174.200000110.7Q261 K267Q261-G265 PolarHBondContact O-N 3.43Å; G265-K267 PolarHBondContact O-N 3.15Å
266D87.9Confident89Confident175 Ų17569.7 Ų69.794%0.93636%0.361SS*.THydrogen-bonded Turntrans-76.9-4.9178.4-59.5-39.9000113.8Y264Y264-D266 PolarHBondContact O-N 3.15Å
267K86.9Confident86.4Confident154 Ų15478.5 Ų78.567%0.6740%0.399SS*.SBendtrans-72.5131.7-179.1-65179.2-179.31750109.8Y264 G265 F269Y264-K267 HydrophobicContact CD1-CB 4.41Å; Y264-K267 WeakPolarHBondContact O-CB 3.29Å; Y264-K267 PolarHBondContact O-N 3.42Å; Y264-K267 VanDerWaalsContact O-N 3.13Å; G265-K267 PolarHBondContact O-N 3.15Å; K267-F269 PolarHBondContact O-N 3.19Å
268P83.6Confident83.5Confident127 Ų12788.5 Ų88.583%0.82545%0.446SS*.  trans-64.7137.1175.827.7-33.8000110
269F88.4Confident80.8Confident42 Ų4289.6 Ų89.618%0.18445%0.454CS..  trans-140.8149.7168.377.2-81.3000110V257 L260 Q261 Y264 K267 S271V257-F269 HydrophobicContact CG1-CZ 4.28Å; L260-F269 HydrophobicContact CB-CE2 3.76Å; L260-F269 HydrophobicContact CB-CZ 3.72Å; L260-F269 HydrophobicContact CD1-CE2 4.19Å; Q261-F269 HydrophobicContact CB-CE1 4.32Å; Q261-F269 HydrophobicContact CG-CE1 3.62Å; Q261-F269 HydrophobicContact CG-CZ 3.69Å; Y264-F269 HydrophobicContact CD1-CB 3.65Å; Y264-F269 HydrophobicContact CD1-CD1 4.27Å; Y264-F269 HydrophobicContact CD1-CG 4.17Å; Y264-F269 HydrophobicContact CD2-CB 4.13Å; Y264-F269 AromaticContact CD2-CD1 3.87Å; Y264-F269 HydrophobicContact CD2-CD1 3.87Å; Y264-F269 HydrophobicContact CD2-CD2 4.3Å; Y264-F269 HydrophobicContact CD2-CE1 4.35Å; Y264-F269 AromaticContact CD2-CG 3.83Å; Y264-F269 HydrophobicContact CD2-CG 3.83Å; Y264-F269 HydrophobicContact CE1-CB 3.65Å; Y264-F269 HydrophobicContact CE1-CG 4.4Å; Y264-F269 HydrophobicContact CE2-CB 4.13Å; Y264-F269 HydrophobicContact CE2-CD2 4.27Å; Y264-F269 HydrophobicContact CE2-CG 4.07Å; Y264-F269 HydrophobicContact CG-CB 3.9Å; Y264-F269 AromaticContact CG-CD1 3.7Å; Y264-F269 HydrophobicContact CG-CD1 3.7Å; Y264-F269 HydrophobicContact CG-CE1 4.44Å; Y264-F269 AromaticContact CG-CG 3.89Å; Y264-F269 HydrophobicContact CG-CG 3.89Å; K267-F269 PolarHBondContact O-N 3.19Å; F269-S271 PolarHBondContact O-N 2.78Å; F269-S271 VanDerWaalsContact O-N 3.13Å
270H88.6Confident77.7Confident134 Ų13495 Ų9562%0.6248%0.484SS*.  trans-81.897.1-179.6-175.466.4000110.3R17 G272R17-H270 PolarHBondContact NH1-O 2.82Å; H270-G272 VanDerWaalsContact C-N 3.3Å
271S90.1Very high74.8Confident4 Ų4103.3 Ų103.33%0.02853%0.528CS..  trans-74.1-19.6176.370.10000113.2Y252 F269 C273Y252-S271 VanDerWaalsContact CE1-O 3.23Å; Y252-S271 WeakPolarHBondContact CE1-O 3.14Å; Y252-S271 PolarHBondContact OH-O 3.31Å; F269-S271 PolarHBondContact O-N 2.78Å; F269-S271 VanDerWaalsContact O-N 3.13Å; S271-C273 PolarHBondContact O-N 3.17Å; S271-C273 PolarHBondContact OG-N 3.44Å; S271-C273 VanDerWaalsContact OG-N 3.15Å
272G90.2Very high71.8Confident3 Ų3105.6 Ų105.63%0.03155%0.547CS..SBendtrans69.9-0.3-169.600000113.8T223 F224 H270T223-G272 CarbonylContact C-O 3.52Å; T223-G272 WeakPolarHBondContact CA-O 3.24Å; F224-G272 PolarHBondContact N-O 3.13Å; H270-G272 VanDerWaalsContact C-N 3.3Å
273C89.9Confident68.8Low12 Ų12104.9 Ų104.98%0.08155%0.552CS.*BIsolated β-bridgetrans-86.6140167.4-650000109.4F224 R226 S271 E275F224-C273 VanDerWaalsContact O-CA 3.3Å; F224-C273 WeakPolarHBondContact O-CA 3.5Å; R226-C273 HydrophobicContact CG-CB 4.42Å; R226-C273 PolarHBondContact NE-SG 2.69Å; R226-C273 VanDerWaalsContact NE-SG 3.37Å; S271-C273 PolarHBondContact O-N 3.17Å; S271-C273 PolarHBondContact OG-N 3.44Å; S271-C273 VanDerWaalsContact OG-N 3.15Å; C273-E275 PolarHBondContact O-N 2.68Å; C273-E275 VanDerWaalsContact O-N 3.15Å
274V86.9Confident65.6Low63 Ų63108 Ų10838%0.38258%0.58SS.*  trans-67.5113.7172.8-176.30000109T223 F224 D225 F276T223-V274 HydrophobicContact CG2-CG2 3.5Å; T223-V274 VanDerWaalsContact CG2-CG2 3.5Å; F224-V274 PolarHBondContact O-N 2.82Å; D225-V274 HydrophobicContact CB-CG2 4.27Å; V274-F276 HydrophobicContact CG1-CE2 4.49Å
275E69.9Low62.6Low126 Ų126114.4 Ų114.459%0.58961%0.611SS**PPolyproline II helixtrans-93125.7174-67.8-176.7-179.600109.7C273C273-E275 PolarHBondContact O-N 2.68Å; C273-E275 VanDerWaalsContact O-N 3.15Å
276F55.8Low59.6Low135 Ų135118.5 Ų118.559%0.59263%0.627SS**PPolyproline II helixtrans-85.6117.1168.8-80.9-90.3000108.8K227 V274 H278K227-F276 HydrophobicContact CD-CE2 4.2Å; V274-F276 HydrophobicContact CG1-CE2 4.49Å; F276-H278 PolarHBondContact O-N 2.87Å
277K44.2Very low56.7Low185 Ų185117 Ų11780%0.80462%0.624SS**PPolyproline II helixtrans-66.7120.5156.8-70.5-175.6179.6179.70107.1S279K277-S279 PolarHBondContact O-N 3.33Å
278H34.8Very low54Low211 Ų211118.7 Ų118.798%0.97763%0.634SS**SBendtrans-75.563.9172.1-129.9-49.4000109F276F276-H278 PolarHBondContact O-N 2.87Å
279S37.9Very low51.2Low78 Ų78116.4 Ų116.455%0.54563%0.633SS.*  trans-155.697.9169.164.40000107.9K277K277-S279 PolarHBondContact O-N 3.33Å
280D32.8Very low48.3Very low162 Ų162123.4 Ų123.487%0.86667%0.667SS**  trans-169.370.1146.9-84.6-24.8000107.4
281L35.9Very low45.3Very low177 Ų177125 Ų12593%0.92768%0.68SS**  trans-98.976.5151.9-97.4162.8000106
282V30.7Very low42.3Very low125 Ų125128.1 Ų128.176%0.75871%0.713SS**  trans-137.2103.9157.5-174.50000107.6
283T33.3Very low39.4Very low126 Ų126133.9 Ų133.977%0.77375%0.752SS**  trans-46134.6161.941.20000111.8
284C27.5Very low36.4Very low132 Ų132139 Ų13989%0.89279%0.789SS**  trans-135.2119.5150.4-106.60000109.6
285E27Very low33.9Very low181 Ų181145.8 Ų145.885%0.84682%0.815SS**  trans-68.8149.3-177.5-65.9170.9135.800112
286T28.8Very low31.8Very low136 Ų136144.1 Ų144.183%0.83482%0.823SS**  trans-48.9136163.726.50000113.6
287V28.1Very low31Very low144 Ų144147.6 Ų147.687%0.87384%0.841SS**  trans-134.6120.2149.5-178.20000109
288Q29Very low30.4Very low190 Ų190142.8 Ų142.889%0.88884%0.836SS**  trans-73.9146.4169.4-70.4173.6-33.900110.4
289G25.7Very low30.3Very low78 Ų78142.7 Ų142.780%0.80483%0.833SS**  trans-159.8103.5165.400000110.3
290E26.8Very low30.5Very low190 Ų190147.5 Ų147.589%0.88885%0.847SS**  trans-74.7142.8162.8-65.3176.9148.100109.1
291D26.8Very low31.4Very low167 Ų167145.3 Ų145.389%0.89384%0.842SS**  162.7152.5104.4-128.2-17.4000112.9
292G25.9Very low32.6Very low70 Ų70143.3 Ų143.372%0.72283%0.831SS**  trans112.996148.700000119.3
293S30.6Very low34.3Very low124 Ų124139.6 Ų139.687%0.86781%0.809SS**  trans-73.7145.8165.772.90000113.1
294S26.7Very low36.3Very low120 Ų120137.2 Ų137.284%0.83979%0.794SS**  trans-154.5130.4141.859.50000112
295H33.2Very low38.5Very low204 Ų204135.5 Ų135.594%0.94478%0.784SS**  trans-75.5124.6174.8-89-68.7000111
296A27.2Very low40.8Very low92 Ų92134.3 Ų134.376%0.7678%0.779SS**  trans-133.5121.6157.500000108.6A298A296-A298 PolarHBondContact O-N 3.39Å
297Q38Very low43.2Very low207 Ų207132.5 Ų132.597%0.96776%0.761SS**  trans-66.5102.4171-85.1174.6-26.300108.8
298A30.7Very low45.7Very low84 Ų84128.4 Ų128.469%0.69473%0.729SS**PPolyproline II helixtrans-90.7128.3171.500000109.7A296 Q300A296-A298 PolarHBondContact O-N 3.39Å; A298-Q300 PolarHBondContact O-N 2.94Å
299F33.5Very low48Very low209 Ų209125.5 Ų125.592%0.91771%0.714SS**PPolyproline II helixtrans-54.4118.9162.1-92.5-97.7000108.3
300Q42.6Very low50.8Low180 Ų180127 Ų12784%0.84170%0.7SS**PPolyproline II helixtrans-71.4126.9178.3-69.5-149.8-25.600109.9A298A298-Q300 PolarHBondContact O-N 2.94Å
301P51.4Low53.3Low115 Ų115121.6 Ų121.675%0.74767%0.674SS**PPolyproline II helixtrans-64.3139.817126.2-30.5000109.3P303P301-P303 WeakPolarHBondContact O-CD 3.41Å
302I60.3Low55.6Low136 Ų136119.1 Ų119.170%0.69765%0.653SS**PPolyproline II helixtrans-62120.7173.8-61.3171000107.1M322I302-M322 HydrophobicContact CG2-CE 3.86Å; I302-M322 HydrophobicContact CG2-SD 3.81Å
303P67.4Low58.2Low47 Ų47122.2 Ų122.231%0.30565%0.649SS.*PPolyproline II helixtrans-62.8141.5-17722-30.2000110.7P301 E307P301-P303 WeakPolarHBondContact O-CD 3.41Å; P303-E307 HydrophobicContact CB-CB 4.41Å
304T75.1Confident60.6Low75 Ų75122.3 Ų122.346%0.4664%0.635SS.*PPolyproline II helixtrans-67.1162.517663.20000110.8E306 E307 R308T304-E306 PolarHBondContact O-N 3.38Å; T304-E307 WeakPolarHBondContact CB-OE2 3.37Å; T304-E307 PolarHBondContact N-OE2 3.2Å; T304-E307 PolarHBondContact O-N 3.13Å; T304-E307 VanDerWaalsContact OG1-CD 3.22Å; T304-E307 VanDerWaalsContact OG1-CG 3.31Å; T304-E307 WeakPolarHBondContact OG1-CG 3.05Å; T304-E307 PolarHBondContact OG1-OE2 2.96Å; T304-R308 WeakPolarHBondContact O-CB 3.38Å; T304-R308 PolarHBondContact O-N 2.99Å
305S73.6Confident63.1Low97 Ų97119.1 Ų119.168%0.67862%0.621SS**Hα-helixtrans-62.2-26.7-178.8-171.90000113.4K309S305-K309 WeakPolarHBondContact O-CB 3.38Å; S305-K309 PolarHBondContact O-N 3.47Å
306E76.4Confident65.4Low156 Ų156115.5 Ų115.573%0.72961%0.605SS**Hα-helixtrans-77.2-48.3179.1-69.3178.916300110.6T304 R308 K309 E310T304-E306 PolarHBondContact O-N 3.38Å; E306-R308 PolarHBondContact O-N 2.81Å; E306-K309 WeakPolarHBondContact O-CB 3.36Å; E306-K309 PolarHBondContact O-N 3.18Å; E306-E310 PolarHBondContact O-N 3.47Å
307E78Confident68.1Low98 Ų98111.6 Ų111.646%0.45857%0.572SS.*Hα-helixtrans-59.4-37.9174.3-68164.6145.700111.5P303 T304 K309 E310 Q311P303-E307 HydrophobicContact CB-CB 4.41Å; T304-E307 WeakPolarHBondContact CB-OE2 3.37Å; T304-E307 PolarHBondContact N-OE2 3.2Å; T304-E307 PolarHBondContact O-N 3.13Å; T304-E307 VanDerWaalsContact OG1-CD 3.22Å; T304-E307 VanDerWaalsContact OG1-CG 3.31Å; T304-E307 WeakPolarHBondContact OG1-CG 3.05Å; T304-E307 PolarHBondContact OG1-OE2 2.96Å; E307-K309 VanDerWaalsContact C-N 3.34Å; E307-E310 PolarHBondContact O-N 3.46Å; E307-Q311 WeakPolarHBondContact O-CG 3.25Å; E307-Q311 PolarHBondContact O-N 3.3Å
308R80.9Confident70.2Confident58 Ų58105.1 Ų105.122%0.21954%0.544CS..Hα-helixtrans-66.4-37.2175.9-160.8-177.578.5156.226.4112.2T304 E306 Q311 W312 D323T304-R308 WeakPolarHBondContact O-CB 3.38Å; T304-R308 PolarHBondContact O-N 2.99Å; E306-R308 PolarHBondContact O-N 2.81Å; R308-Q311 PolarHBondContact O-N 3.06Å; R308-W312 VanDerWaalsContact O-CD1 3.24Å; R308-W312 PolarHBondContact O-N 3.02Å; R308-D323 WeakPolarHBondContact CD-OD1 3.48Å; R308-D323 WeakPolarHBondContact CG-OD2 3.48Å; R308-D323 IonicContact CZ-OD1 3.1Å; R308-D323 IonicContact NE-OD1 3.31Å; R308-D323 PolarHBondContact NE-OD1 2.85Å; R308-D323 IonicContact NH1-OD1 3.4Å; R308-D323 PolarHBondContact NH1-OD1 3.13Å; R308-D323 IonicContact NH2-OD1 3.32Å; R308-D323 PolarHBondContact NH2-OD1 3.41Å
309K77.9Confident72.5Confident129 Ų129108.6 Ų108.656%0.56154%0.54SS*.Hα-helixtrans-67.3-42.7176.6-176.7-174168.9-161.60110.7S305 E306 E307 Q311 W312 E313S305-K309 WeakPolarHBondContact O-CB 3.38Å; S305-K309 PolarHBondContact O-N 3.47Å; E306-K309 WeakPolarHBondContact O-CB 3.36Å; E306-K309 PolarHBondContact O-N 3.18Å; E307-K309 VanDerWaalsContact C-N 3.34Å; K309-Q311 VanDerWaalsContact C-N 3.34Å; K309-Q311 PolarHBondContact O-N 3.21Å; K309-W312 WeakPolarHBondContact O-CB 3.44Å; K309-W312 PolarHBondContact O-N 3.25Å; K309-E313 WeakPolarHBondContact CE-OE1 3.41Å; K309-E313 IonicContact NZ-OE1 3.79Å; K309-E313 WeakPolarHBondContact O-CG 3.36Å; K309-E313 PolarHBondContact O-N 3.23Å
310E83.2Confident74.5Confident110 Ų110107.4 Ų107.451%0.51454%0.54SS..Hα-helixtrans-62-40.9175.2-71.7-177.617200112E306 E307 W312 E313 Q314E306-E310 PolarHBondContact O-N 3.47Å; E307-E310 PolarHBondContact O-N 3.46Å; E310-W312 VanDerWaalsContact C-N 3.34Å; E310-W312 PolarHBondContact O-N 2.87Å; E310-E313 PolarHBondContact O-N 2.97Å; E310-Q314 WeakPolarHBondContact O-CB 3.46Å; E310-Q314 VanDerWaalsContact O-CG 3.25Å; E310-Q314 WeakPolarHBondContact O-CG 3.04Å; E310-Q314 PolarHBondContact O-N 3.11Å
311Q79.1Confident76.4Confident75 Ų75100.2 Ų100.235%0.3551%0.514SS..Hα-helixtrans-63.9-37.4174.7-74-176.31.900112.7E307 R308 K309 Q314 G315 Q316E307-Q311 WeakPolarHBondContact O-CG 3.25Å; E307-Q311 PolarHBondContact O-N 3.3Å; R308-Q311 PolarHBondContact O-N 3.06Å; K309-Q311 VanDerWaalsContact C-N 3.34Å; K309-Q311 PolarHBondContact O-N 3.21Å; Q311-Q314 PolarHBondContact O-N 2.97Å; Q311-G315 PolarHBondContact O-N 3.29Å; Q311-Q316 CarbonylContact O-C 3.33Å; Q311-Q316 WeakPolarHBondContact O-CA 3.36Å; Q311-Q316 PolarHBondContact O-N 3.19Å
312W76.1Confident77.5Confident116 Ų11698.6 Ų98.644%0.43950%0.498SS..Hα-helixtrans-61.7-44.7170.9-9366.7000112.4R308 K309 E310 Q314 G315 A317 D323 I328R308-W312 VanDerWaalsContact O-CD1 3.24Å; R308-W312 PolarHBondContact O-N 3.02Å; K309-W312 WeakPolarHBondContact O-CB 3.44Å; K309-W312 PolarHBondContact O-N 3.25Å; E310-W312 VanDerWaalsContact C-N 3.34Å; E310-W312 PolarHBondContact O-N 2.87Å; W312-Q314 PolarHBondContact O-N 3.4Å; W312-G315 PolarHBondContact O-N 3.04Å; W312-G315 VanDerWaalsContact O-N 3.13Å; W312-A317 HydrophobicContact CD2-CB 4.02Å; W312-A317 HydrophobicContact CG-CB 4.02Å; W312-A317 HydrophobicContact CZ2-CB 4.38Å; W312-D323 HydrophobicContact CZ2-CB 3.85Å; W312-D323 PolarHBondContact NE1-OD1 3.13Å; W312-D323 PolarHBondContact NE1-OD2 3.14Å; W312-I328 HydrophobicContact CH2-CD1 3.76Å; W312-I328 HydrophobicContact CZ2-CD1 3.81Å
313E79.7Confident78.5Confident135 Ų13592.3 Ų92.363%0.63147%0.465SS*.Hα-helixtrans-68.2-25.8-179.8-71.1175.7171.700112.3K309 E310K309-E313 WeakPolarHBondContact CE-OE1 3.41Å; K309-E313 IonicContact NZ-OE1 3.79Å; K309-E313 WeakPolarHBondContact O-CG 3.36Å; K309-E313 PolarHBondContact O-N 3.23Å; E310-E313 PolarHBondContact O-N 2.97Å
314Q82.4Confident79.4Confident125 Ų12591.1 Ų91.158%0.58446%0.458SS*.THydrogen-bonded Turntrans-89.80.8174.5-65.9172.825.100113.7E310 Q311 W312 Q316E310-Q314 WeakPolarHBondContact O-CB 3.46Å; E310-Q314 VanDerWaalsContact O-CG 3.25Å; E310-Q314 WeakPolarHBondContact O-CG 3.04Å; E310-Q314 PolarHBondContact O-N 3.11Å; Q311-Q314 PolarHBondContact O-N 2.97Å; W312-Q314 PolarHBondContact O-N 3.4Å; Q314-Q316 VanDerWaalsContact C-N 3.34Å
315G78Confident79.8Confident53 Ų5394.6 Ų94.655%0.54647%0.467SS..THydrogen-bonded Turntrans75.218.6179.100000114.9Q311 W312Q311-G315 PolarHBondContact O-N 3.29Å; W312-G315 PolarHBondContact O-N 3.04Å; W312-G315 VanDerWaalsContact O-N 3.13Å
316Q82.6Confident80.3Confident129 Ų12995.1 Ų95.160%0.60346%0.462SS*.  trans-10937.7-179.7-60.5-175.26.900111.9Q311 Q314Q311-Q316 CarbonylContact O-C 3.33Å; Q311-Q316 WeakPolarHBondContact O-CA 3.36Å; Q311-Q316 PolarHBondContact O-N 3.19Å; Q314-Q316 VanDerWaalsContact C-N 3.34Å
317A83.3Confident80.5Confident9 Ų990 Ų907%0.07444%0.44CS..  trans-65.6143.8179.700000112W312 Y319W312-A317 HydrophobicContact CD2-CB 4.02Å; W312-A317 HydrophobicContact CG-CB 4.02Å; W312-A317 HydrophobicContact CZ2-CB 4.38Å; A317-Y319 VanDerWaalsContact C-N 3.32Å; A317-Y319 HydrophobicContact CB-CD2 4.47Å; A317-Y319 HydrophobicContact CB-CE1 4.02Å; A317-Y319 HydrophobicContact CB-CE2 3.98Å; A317-Y319 WeakPolarHBondContact O-CD2 3.35Å; A317-Y319 WeakPolarHBondContact O-CE2 3.4Å; A317-Y319 PolarHBondContact O-N 3.28Å
318D82.3Confident80.7Confident71 Ų7188.1 Ų88.138%0.3843%0.432SS..  trans-81.476.4179176.420.4000111.4M320 G321 M322 D323 S324D318-M320 PolarHBondContact O-N 3.12Å; D318-M320 VanDerWaalsContact O-N 3.13Å; D318-M320 PolarHBondContact OD1-N 3.37Å; D318-G321 PolarHBondContact O-N 2.96Å; D318-G321 PolarHBondContact OD1-N 3.07Å; D318-G321 WeakPolarHBondContact OD2-CA 3.28Å; D318-G321 PolarHBondContact OD2-N 3.2Å; D318-M322 PolarHBondContact OD2-N 3.27Å; D318-D323 CarbonylContact O-C 3.55Å; D318-D323 WeakPolarHBondContact O-CA 3.34Å; D318-D323 WeakPolarHBondContact O-CB 3.35Å; D318-D323 PolarHBondContact O-N 3.28Å; D318-S324 PolarHBondContact O-N 3.41Å
319Y78.7Confident80.8Confident157 Ų15790.4 Ų90.462%0.61644%0.444SS*.THydrogen-bonded Turntrans-63.3-17.2-175.9-62.8-72.5000114.5A317 S324A317-Y319 VanDerWaalsContact C-N 3.32Å; A317-Y319 HydrophobicContact CB-CD2 4.47Å; A317-Y319 HydrophobicContact CB-CE1 4.02Å; A317-Y319 HydrophobicContact CB-CE2 3.98Å; A317-Y319 WeakPolarHBondContact O-CD2 3.35Å; A317-Y319 WeakPolarHBondContact O-CE2 3.4Å; A317-Y319 PolarHBondContact O-N 3.28Å; Y319-S324 WeakPolarHBondContact O-CA 3.47Å
320M75.6Confident81.1Confident185 Ų18590.9 Ų90.991%0.91144%0.442SS*.THydrogen-bonded Turntrans-105.1-10.7-178.3-66.1-170.876.600113.5D318D318-M320 PolarHBondContact O-N 3.12Å; D318-M320 VanDerWaalsContact O-N 3.13Å; D318-M320 PolarHBondContact OD1-N 3.37Å
321G82.6Confident80.9Confident28 Ų2892 Ų9229%0.28945%0.445SS..THydrogen-bonded Turntrans-122.1-110.4178.300000112.8D318 D323 S324 N327D318-G321 PolarHBondContact O-N 2.96Å; D318-G321 PolarHBondContact OD1-N 3.07Å; D318-G321 WeakPolarHBondContact OD2-CA 3.28Å; D318-G321 PolarHBondContact OD2-N 3.2Å; G321-D323 PolarHBondContact O-N 3.16Å; G321-S324 VanDerWaalsContact O-CB 3.3Å; G321-S324 WeakPolarHBondContact O-CB 3.4Å; G321-S324 PolarHBondContact O-N 3.31Å; G321-S324 PolarHBondContact O-OG 2.91Å; G321-N327 PolarHBondContact O-ND2 2.98Å; G321-N327 VanDerWaalsContact O-ND2 3.08Å
322M74.7Confident80.8Confident82 Ų8292.7 Ų92.740%0.40445%0.451SS..THydrogen-bonded Turntrans-68-24.4-167.9-70.6-172.870.400113.8I302 D318I302-M322 HydrophobicContact CG2-CE 3.86Å; I302-M322 HydrophobicContact CG2-SD 3.81Å; D318-M322 PolarHBondContact OD2-N 3.27Å
323D81.8Confident81.2Confident4 Ų491.6 Ų91.62%0.02145%0.454CS..THydrogen-bonded Turntrans-108.518.6179.8-61.7-45.5000112.5R308 W312 D318 G321 I328R308-D323 WeakPolarHBondContact CD-OD1 3.48Å; R308-D323 WeakPolarHBondContact CG-OD2 3.48Å; R308-D323 IonicContact CZ-OD1 3.1Å; R308-D323 IonicContact NE-OD1 3.31Å; R308-D323 PolarHBondContact NE-OD1 2.85Å; R308-D323 IonicContact NH1-OD1 3.4Å; R308-D323 PolarHBondContact NH1-OD1 3.13Å; R308-D323 IonicContact NH2-OD1 3.32Å; R308-D323 PolarHBondContact NH2-OD1 3.41Å; W312-D323 HydrophobicContact CZ2-CB 3.85Å; W312-D323 PolarHBondContact NE1-OD1 3.13Å; W312-D323 PolarHBondContact NE1-OD2 3.14Å; D318-D323 CarbonylContact O-C 3.55Å; D318-D323 WeakPolarHBondContact O-CA 3.34Å; D318-D323 WeakPolarHBondContact O-CB 3.35Å; D318-D323 PolarHBondContact O-N 3.28Å; G321-D323 PolarHBondContact O-N 3.16Å; D323-I328 WeakPolarHBondContact O-CD1 3.31Å
324S86.1Confident81.2Confident21 Ų2191 Ų9115%0.14745%0.454CS..  trans-57.6147.6170.257.90000112D318 Y319 G321 D326 N327 I328D318-S324 PolarHBondContact O-N 3.41Å; Y319-S324 WeakPolarHBondContact O-CA 3.47Å; G321-S324 VanDerWaalsContact O-CB 3.3Å; G321-S324 WeakPolarHBondContact O-CB 3.4Å; G321-S324 PolarHBondContact O-N 3.31Å; G321-S324 PolarHBondContact O-OG 2.91Å; S324-D326 PolarHBondContact O-N 3.4Å; S324-D326 VanDerWaalsContact O-N 3.16Å; S324-N327 PolarHBondContact O-N 3.31Å; S324-N327 PolarHBondContact OG-ND2 3.2Å; S324-I328 PolarHBondContact O-N 3.2Å; S324-I328 VanDerWaalsContact O-N 3.12Å
325F82.4Confident80.6Confident149 Ų14994 Ų9465%0.65447%0.465SS*.Hα-helixtrans-51.9-40178.8179-99.3000112.4N327 I328 K329F325-N327 VanDerWaalsContact C-N 3.3Å; F325-N327 PolarHBondContact O-N 3.2Å; F325-I328 PolarHBondContact O-N 3.48Å; F325-K329 HydrophobicContact CE1-CB 4.48Å; F325-K329 HydrophobicContact CE1-CD 3.95Å; F325-K329 HydrophobicContact CZ-CD 4.31Å; F325-K329 VanDerWaalsContact O-CB 3.28Å; F325-K329 WeakPolarHBondContact O-CB 3.35Å; F325-K329 PolarHBondContact O-N 3.32Å
326D84.8Confident80.1Confident108 Ų10898.2 Ų98.258%0.57847%0.474SS*.Hα-helixtrans-63.5-35179.8-66.3-30.4000112.7S324 R330S324-D326 PolarHBondContact O-N 3.4Å; S324-D326 VanDerWaalsContact O-N 3.16Å; D326-R330 WeakPolarHBondContact O-CB 3.27Å; D326-R330 PolarHBondContact O-N 2.8Å; D326-R330 VanDerWaalsContact O-N 3.13Å
327N81.4Confident78.6Confident49 Ų49103.9 Ų103.926%0.26250%0.497SS..Hα-helixtrans-75-38.9176.6-73.9-22.4000112.1G321 S324 F325 R330 K331G321-N327 PolarHBondContact O-ND2 2.98Å; G321-N327 VanDerWaalsContact O-ND2 3.08Å; S324-N327 PolarHBondContact O-N 3.31Å; S324-N327 PolarHBondContact OG-ND2 3.2Å; F325-N327 VanDerWaalsContact C-N 3.3Å; F325-N327 PolarHBondContact O-N 3.2Å; N327-R330 PolarHBondContact OD1-NH1 3.37Å; N327-R330 PolarHBondContact OD1-NH2 2.97Å; N327-K331 PolarHBondContact O-N 3.4Å
328I80.8Confident78.3Confident58 Ų58108.7 Ų108.730%0.29752%0.518SS..Hα-helixtrans-65.2-48176.4-62.7169.5000110W312 D323 S324 F325 R330 K331 L332W312-I328 HydrophobicContact CH2-CD1 3.76Å; W312-I328 HydrophobicContact CZ2-CD1 3.81Å; D323-I328 WeakPolarHBondContact O-CD1 3.31Å; S324-I328 PolarHBondContact O-N 3.2Å; S324-I328 VanDerWaalsContact O-N 3.12Å; F325-I328 PolarHBondContact O-N 3.48Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.19Å; I328-K331 PolarHBondContact O-N 3.13Å; I328-K331 VanDerWaalsContact O-N 3.14Å; I328-L332 HydrophobicContact CG2-CD1 4.04Å; I328-L332 PolarHBondContact O-N 2.74Å
329K84.1Confident78.1Confident106 Ų106110.6 Ų110.646%0.46153%0.525SS..Hα-helixtrans-58.6-45.1178-171.6179.1178-169.30111.4F325 K331 L332 D333F325-K329 HydrophobicContact CE1-CB 4.48Å; F325-K329 HydrophobicContact CE1-CD 3.95Å; F325-K329 HydrophobicContact CZ-CD 4.31Å; F325-K329 VanDerWaalsContact O-CB 3.28Å; F325-K329 WeakPolarHBondContact O-CB 3.35Å; F325-K329 PolarHBondContact O-N 3.32Å; K329-K331 VanDerWaalsContact C-N 3.3Å; K329-K331 PolarHBondContact O-N 2.89Å; K329-L332 PolarHBondContact O-N 3.46Å; K329-D333 WeakPolarHBondContact O-CB 3.37Å; K329-D333 PolarHBondContact O-N 2.97Å
330R83.3Confident78.1Confident139 Ų139108.1 Ų108.153%0.52552%0.52SS..Hα-helixtrans-59.2-37.5176.6-164.4-173.5-53117.59.1112.9D326 N327 I328 I334D326-R330 WeakPolarHBondContact O-CB 3.27Å; D326-R330 PolarHBondContact O-N 2.8Å; D326-R330 VanDerWaalsContact O-N 3.13Å; N327-R330 PolarHBondContact OD1-NH1 3.37Å; N327-R330 PolarHBondContact OD1-NH2 2.97Å; I328-R330 VanDerWaalsContact C-N 3.34Å; I328-R330 PolarHBondContact O-N 3.19Å; R330-I334 WeakPolarHBondContact O-CD1 3.3Å; R330-I334 VanDerWaalsContact O-CG1 3.27Å; R330-I334 WeakPolarHBondContact O-CG1 3.14Å; R330-I334 PolarHBondContact O-N 3.08Å
331K79.3Confident78.2Confident132 Ų132103.5 Ų103.557%0.57450%0.497SS*.Hα-helixtrans-70.8-41.9176.1-80.3-171.9173.1-174.40112.3N327 I328 K329 I334 F335N327-K331 PolarHBondContact O-N 3.4Å; I328-K331 PolarHBondContact O-N 3.13Å; I328-K331 VanDerWaalsContact O-N 3.14Å; K329-K331 VanDerWaalsContact C-N 3.3Å; K329-K331 PolarHBondContact O-N 2.89Å; K331-I334 PolarHBondContact O-N 2.75Å; K331-F335 PolarHBondContact O-N 3.29Å; K331-F335 VanDerWaalsContact O-N 3.13Å
332L77.6Confident78Confident91 Ų91108.3 Ų108.348%0.47651%0.51SS..Hα-helixtrans-62.9-42.3176.7-71.3170.4000111.5I328 K329 I334 F335 L336I328-L332 HydrophobicContact CG2-CD1 4.04Å; I328-L332 PolarHBondContact O-N 2.74Å; K329-L332 PolarHBondContact O-N 3.46Å; L332-I334 PolarHBondContact O-N 2.86Å; L332-F335 PolarHBondContact O-N 3.06Å; L332-F335 VanDerWaalsContact O-N 3.11Å; L332-L336 HydrophobicContact CB-CD1 4.3Å; L332-L336 HydrophobicContact CD2-CD1 4.49Å; L332-L336 WeakPolarHBondContact O-CB 3.44Å; L332-L336 WeakPolarHBondContact O-CG 3.42Å; L332-L336 PolarHBondContact O-N 3.19Å
333D84.6Confident78.2Confident93 Ų93110 Ų11050%0.49752%0.518SS..Hα-helixtrans-64.3-22.6177.9-68.4-17.7000113.1K329K329-D333 WeakPolarHBondContact O-CB 3.37Å; K329-D333 PolarHBondContact O-N 2.97Å
334I79.7Confident77.9Confident123 Ų123117.6 Ų117.663%0.63155%0.553SS**Hα-helixtrans-83.3-36.8173.9-68.1165.4000111.2R330 K331 L332R330-I334 WeakPolarHBondContact O-CD1 3.3Å; R330-I334 VanDerWaalsContact O-CG1 3.27Å; R330-I334 WeakPolarHBondContact O-CG1 3.14Å; R330-I334 PolarHBondContact O-N 3.08Å; K331-I334 PolarHBondContact O-N 2.75Å; L332-I334 PolarHBondContact O-N 2.86Å
335F69.3Low77.3Confident187 Ų187125 Ų12582%0.8258%0.584SS**Hα-helixtrans-83.2-23.5-175-123.3-85.7000114K331 L332K331-F335 PolarHBondContact O-N 3.29Å; K331-F335 VanDerWaalsContact O-N 3.13Å; L332-F335 PolarHBondContact O-N 3.06Å; L332-F335 VanDerWaalsContact O-N 3.11Å
336L67.4Low76.9Confident141 Ų141123 Ų12374%0.73858%0.578SS**THydrogen-bonded Turntrans-101.220.4-174.9-65.5170000113.5L332L332-L336 HydrophobicContact CB-CD1 4.3Å; L332-L336 HydrophobicContact CD2-CD1 4.49Å; L332-L336 WeakPolarHBondContact O-CB 3.44Å; L332-L336 WeakPolarHBondContact O-CG 3.42Å; L332-L336 PolarHBondContact O-N 3.19Å
337K50.4Low76.2Confident249 Ų249124.4 Ų124.4100%1.08358%0.579SS**  trans-91.50174.3-92.5-173.4178.6-178.90113.2

Retrieved 337 of 337 residues in 107.1 ms (Link to these results)

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