A0A093HG25_STRCA Loading...

2-oxoisovalerate dehydrogenase subunit beta, mitochondrial

Together with BCKDHA forms the heterotetrameric E1 subunit of the mitochondrial branched-chain alpha-ketoacid dehydrogenase (BCKD) complex. The BCKD complex catalyzes the multi-step oxidative decarboxylation of alpha-ketoacids derived from the branched-chain amino-acids valine, leucine and isoleucine producing CO2 and acyl-CoA which is subsequently utilized to produce energy. The E1 subunit catalyzes the first step with the decarboxylation of the alpha-ketoacid forming an enzyme-product intermediate. A reductive acylation mediated by the lipoylamide cofactor of E2 extracts the acyl group from the E1 active site for the next step of the reaction.

AlphaFold DB , UniProt , Accession A0A093HG25, Species STRCA (Struthio camelus australis), Gene n/a, Length 322 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
1M97.5Very high98.6Very high62 Ų6220.6 Ų20.631%0.30511%0.105SC..  0143.40-62.8178.7-172.400108.3Q5 E179 V181 V183M1-Q5 HydrophobicContact CB-CB 3.89Å; M1-Q5 HydrophobicContact CG-CB 4.35Å; M1-E179 PolarHBondContact N-O 2.79Å; M1-E179 PolarHBondContact O-N 3.31Å; M1-V181 HydrophobicContact CB-CB 4.09Å; M1-V181 HydrophobicContact CB-CG2 3.9Å; M1-V181 HydrophobicContact CG-CB 4.13Å; M1-V181 HydrophobicContact CG-CG2 4.49Å; M1-V181 HydrophobicContact SD-CB 3.86Å; M1-V181 HydrophobicContact SD-CG1 3.96Å; M1-V183 HydrophobicContact CE-CG2 4.4Å
2N98.1Very high98.7Very high18 Ų1822.1 Ų22.110%0.09611%0.113CC..BIsolated β-bridgetrans-79.7178.4162.967.124.9000111.4F4 Q5 S6 Y174 A177 V178N2-F4 WeakPolarHBondContact ND2-CE1 3.28Å; N2-F4 WeakPolarHBondContact OD1-CD1 3.25Å; N2-F4 WeakPolarHBondContact OD1-CE1 3.49Å; N2-F4 PolarHBondContact OD1-N 3.01Å; N2-Q5 PolarHBondContact O-N 3.18Å; N2-Q5 VanDerWaalsContact OD1-CB 3.31Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.37Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.46Å; N2-Q5 PolarHBondContact OD1-N 2.82Å; N2-Q5 PolarHBondContact OD1-OE1 2.9Å; N2-S6 PolarHBondContact O-N 3.12Å; N2-Y174 WeakPolarHBondContact CB-O 3.47Å; N2-Y174 PolarHBondContact OD1-O 3.43Å; N2-A177 WeakPolarHBondContact CA-O 3.4Å; N2-A177 WeakPolarHBondContact CB-O 3.42Å; N2-V178 HydrophobicContact CB-CG2 4.09Å
3L98.5Very high98.7Very high0 Ų022.3 Ų22.30%012%0.115CC..Hα-helixtrans-64.9-44.8-172.8-170.8147.7000111.5Q5 S6 I7 P148 A151 L173 Y174L3-Q5 VanDerWaalsContact C-N 3.3Å; L3-Q5 PolarHBondContact O-N 2.94Å; L3-S6 PolarHBondContact O-N 3.23Å; L3-S6 VanDerWaalsContact O-N 3.09Å; L3-S6 PolarHBondContact O-OG 2.97Å; L3-I7 HydrophobicContact CD2-CG1 4.15Å; L3-I7 WeakPolarHBondContact O-CG1 3.31Å; L3-I7 PolarHBondContact O-N 3.14Å; L3-P148 HydrophobicContact CB-CG 4.15Å; L3-A151 HydrophobicContact CD1-CB 4.25Å; L3-A151 HydrophobicContact CG-CB 4.06Å; L3-L173 WeakPolarHBondContact CB-O 3.4Å; L3-L173 HydrophobicContact CD1-CB 3.92Å; L3-L173 HydrophobicContact CD1-CD1 4.43Å; L3-Y174 HydrophobicContact CD2-CD1 3.44Å; L3-Y174 VanDerWaalsContact CD2-CD1 3.44Å; L3-Y174 HydrophobicContact CD2-CE1 3.6Å; L3-Y174 PolarHBondContact N-O 3.35Å
4F98.6Very high98.7Very high20 Ų2021.4 Ų21.49%0.08811%0.112CC..Hα-helixtrans-64-37.2178.883.7-105.7000111.9N2 S6 I7 T8 R35 Y174 R175N2-F4 WeakPolarHBondContact ND2-CE1 3.28Å; N2-F4 WeakPolarHBondContact OD1-CD1 3.25Å; N2-F4 WeakPolarHBondContact OD1-CE1 3.49Å; N2-F4 PolarHBondContact OD1-N 3.01Å; F4-S6 VanDerWaalsContact C-N 3.31Å; F4-S6 PolarHBondContact O-N 3.4Å; F4-I7 WeakPolarHBondContact O-CB 3.29Å; F4-I7 PolarHBondContact O-N 3.07Å; F4-T8 PolarHBondContact O-N 2.9Å; F4-T8 PolarHBondContact O-OG1 3.44Å; F4-T8 VanDerWaalsContact O-OG1 3.1Å; F4-R35 HydrophobicContact CD2-CB 4.03Å; F4-R35 HydrophobicContact CE2-CB 3.94Å; F4-Y174 HydrophobicContact CB-CD1 3.56Å; F4-Y174 HydrophobicContact CB-CE1 4.24Å; F4-Y174 HydrophobicContact CB-CG 4.12Å; F4-Y174 VanDerWaalsContact CD1-O 3.32Å; F4-Y174 WeakPolarHBondContact CD1-O 3.43Å; F4-Y174 PolarHBondContact N-O 3.47Å; F4-R175 HydrophobicContact CD1-CG 4.16Å; F4-R175 HydrophobicContact CE1-CG 4.12Å
5Q98.8Very high98.7Very high86 Ų8620 Ų2040%0.40211%0.105SC..Hα-helixtrans-64.9-35.5175.6-73.3169.9-20.900112M1 N2 L3 I7 T8 S9M1-Q5 HydrophobicContact CB-CB 3.89Å; M1-Q5 HydrophobicContact CG-CB 4.35Å; N2-Q5 PolarHBondContact O-N 3.18Å; N2-Q5 VanDerWaalsContact OD1-CB 3.31Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.37Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.46Å; N2-Q5 PolarHBondContact OD1-N 2.82Å; N2-Q5 PolarHBondContact OD1-OE1 2.9Å; L3-Q5 VanDerWaalsContact C-N 3.3Å; L3-Q5 PolarHBondContact O-N 2.94Å; Q5-I7 VanDerWaalsContact C-N 3.34Å; Q5-T8 PolarHBondContact O-N 3.24Å; Q5-S9 WeakPolarHBondContact O-CB 3.32Å; Q5-S9 PolarHBondContact O-N 3.29Å
6S98.9Very high98.7Very high0 Ų022.9 Ų22.90%013%0.133CC..Hα-helixtrans-67.7-35.2175.374.30000112.2N2 L3 F4 S9 A10 P148N2-S6 PolarHBondContact O-N 3.12Å; L3-S6 PolarHBondContact O-N 3.23Å; L3-S6 VanDerWaalsContact O-N 3.09Å; L3-S6 PolarHBondContact O-OG 2.97Å; F4-S6 VanDerWaalsContact C-N 3.31Å; F4-S6 PolarHBondContact O-N 3.4Å; S6-S9 PolarHBondContact O-N 2.92Å; S6-A10 PolarHBondContact O-N 3.2Å; S6-P148 WeakPolarHBondContact CB-O 3.2Å; S6-P148 WeakPolarHBondContact OG-CA 3.47Å; S6-P148 PolarHBondContact OG-O 3.05Å
7I98.9Very high98.7Very high0 Ų029.8 Ų29.80%016%0.161CC..Hα-helixtrans-63.2-49.8171-60-61000109.8L3 F4 Q5 S9 A10 L11 C36 A151 L155 F167 E169L3-I7 HydrophobicContact CD2-CG1 4.15Å; L3-I7 WeakPolarHBondContact O-CG1 3.31Å; L3-I7 PolarHBondContact O-N 3.14Å; F4-I7 WeakPolarHBondContact O-CB 3.29Å; F4-I7 PolarHBondContact O-N 3.07Å; Q5-I7 VanDerWaalsContact C-N 3.34Å; I7-S9 VanDerWaalsContact C-N 3.26Å; I7-S9 PolarHBondContact O-N 3.44Å; I7-A10 WeakPolarHBondContact O-CB 3.49Å; I7-A10 PolarHBondContact O-N 3.3Å; I7-A10 VanDerWaalsContact O-N 3.13Å; I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 HydrophobicContact CG2-CG 4.3Å; I7-L11 VanDerWaalsContact O-CG 3.28Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 2.9Å; I7-C36 HydrophobicContact CB-CB 4.46Å; I7-C36 HydrophobicContact CG2-CB 3.91Å; I7-A151 HydrophobicContact CD1-CB 3.96Å; I7-L155 HydrophobicContact CD1-CD2 3.82Å; I7-L155 HydrophobicContact CG2-CD2 3.93Å; I7-F167 HydrophobicContact CD1-CE1 3.69Å; I7-F167 HydrophobicContact CD1-CZ 4.37Å; I7-E169 HydrophobicContact CD1-CG 3.98Å; I7-E169 HydrophobicContact CG1-CG 4.38Å
8T98.9Very high98.7Very high25 Ų2530.4 Ų30.415%0.15316%0.164CC..Hα-helixtrans-55.8-42.7175.5-50.10000111.6F4 Q5 L11 D12 C36 L40F4-T8 PolarHBondContact O-N 2.9Å; F4-T8 PolarHBondContact O-OG1 3.44Å; F4-T8 VanDerWaalsContact O-OG1 3.1Å; Q5-T8 PolarHBondContact O-N 3.24Å; T8-L11 PolarHBondContact O-N 3.08Å; T8-D12 VanDerWaalsContact O-CB 3.31Å; T8-D12 WeakPolarHBondContact O-CB 3.08Å; T8-D12 PolarHBondContact O-N 2.84Å; T8-C36 VanDerWaalsContact CA-O 3.28Å; T8-C36 WeakPolarHBondContact CA-O 3.45Å; T8-C36 WeakPolarHBondContact CB-O 3.46Å; T8-C36 VanDerWaalsContact OG1-C 3.31Å; T8-C36 PolarHBondContact OG1-O 2.94Å; T8-L40 HydrophobicContact CG2-CD2 4.2Å; T8-L40 HydrophobicContact CG2-CG 4.32Å
9S98.9Very high98.7Very high16 Ų1634.5 Ų34.511%0.11219%0.193CC..Hα-helixtrans-64.4-40.6178-179.40000112.8Q5 S6 I7 N13 K152Q5-S9 WeakPolarHBondContact O-CB 3.32Å; Q5-S9 PolarHBondContact O-N 3.29Å; S6-S9 PolarHBondContact O-N 2.92Å; I7-S9 VanDerWaalsContact C-N 3.26Å; I7-S9 PolarHBondContact O-N 3.44Å; S9-N13 VanDerWaalsContact O-CG 3.26Å; S9-N13 PolarHBondContact O-N 3.35Å; S9-N13 PolarHBondContact O-OD1 3.4Å; S9-K152 PolarHBondContact OG-NZ 3.22Å
10A98.9Very high98.7Very high0 Ų035.8 Ų35.80%020%0.201CC..Hα-helixtrans-62.5-47.2174.700000111.6S6 I7 D12 N13 A14 K152 L155 L156S6-A10 PolarHBondContact O-N 3.2Å; I7-A10 WeakPolarHBondContact O-CB 3.49Å; I7-A10 PolarHBondContact O-N 3.3Å; I7-A10 VanDerWaalsContact O-N 3.13Å; A10-D12 PolarHBondContact O-N 3.42Å; A10-N13 PolarHBondContact O-N 3.49Å; A10-A14 PolarHBondContact O-N 2.99Å; A10-K152 HydrophobicContact CB-CB 4.42Å; A10-K152 HydrophobicContact CB-CG 4.07Å; A10-L155 HydrophobicContact CB-CB 4.3Å; A10-L155 HydrophobicContact CB-CD2 3.85Å; A10-L155 HydrophobicContact CB-CG 4.18Å; A10-L156 HydrophobicContact CB-CD2 4.34Å; A10-L156 HydrophobicContact CB-CG 4.04Å; A10-L156 WeakPolarHBondContact O-CD2 3.14Å
11L98.9Very high98.7Very high0 Ų034 Ų340%019%0.191CC..Hα-helixtrans-63.7-40.5178.9-65.6174.9000112.1I7 T8 A14 L15 I23 T37 L40 I74 L155 I159I7-L11 HydrophobicContact CG2-CD1 3.85Å; I7-L11 HydrophobicContact CG2-CG 4.3Å; I7-L11 VanDerWaalsContact O-CG 3.28Å; I7-L11 WeakPolarHBondContact O-CG 3.48Å; I7-L11 PolarHBondContact O-N 2.9Å; T8-L11 PolarHBondContact O-N 3.08Å; L11-A14 PolarHBondContact O-N 3.01Å; L11-L15 WeakPolarHBondContact O-CG 3.16Å; L11-L15 PolarHBondContact O-N 2.69Å; L11-I23 HydrophobicContact CB-CD1 3.87Å; L11-I23 HydrophobicContact CD1-CD1 4.14Å; L11-I23 HydrophobicContact CD2-CD1 3.98Å; L11-I23 HydrophobicContact CG-CD1 4.21Å; L11-T37 HydrophobicContact CD1-CG2 4.02Å; L11-L40 HydrophobicContact CB-CD1 3.62Å; L11-L40 HydrophobicContact CD1-CD1 4.11Å; L11-I74 HydrophobicContact CD2-CD1 4.16Å; L11-I74 HydrophobicContact CD2-CG2 3.79Å; L11-L155 HydrophobicContact CD2-CD2 4.27Å; L11-L155 HydrophobicContact CG-CD2 4.39Å; L11-I159 HydrophobicContact CD2-CD1 4.27Å
12D98.9Very high98.7Very high38 Ų3832.1 Ų32.120%0.20318%0.183CC..Hα-helixtrans-59.3-50.3173.5-170.3-21.2000110.5T8 A10 A14 L15 A16 L40 K43 Y44T8-D12 VanDerWaalsContact O-CB 3.31Å; T8-D12 WeakPolarHBondContact O-CB 3.08Å; T8-D12 PolarHBondContact O-N 2.84Å; A10-D12 PolarHBondContact O-N 3.42Å; D12-A14 VanDerWaalsContact C-N 3.33Å; D12-A14 PolarHBondContact O-N 2.77Å; D12-L15 PolarHBondContact O-N 2.67Å; D12-A16 WeakPolarHBondContact O-CB 3.49Å; D12-A16 PolarHBondContact O-N 2.82Å; D12-L40 HydrophobicContact CB-CD2 3.83Å; D12-K43 IonicContact OD1-NZ 2.69Å; D12-K43 PolarHBondContact OD1-NZ 2.9Å; D12-K43 IonicContact OD2-NZ 2.76Å; D12-K43 PolarHBondContact OD2-NZ 3.33Å; D12-Y44 PolarHBondContact O-OH 3.36Å; D12-Y44 VanDerWaalsContact O-OH 3.06Å; D12-Y44 PolarHBondContact OD1-OH 3.46Å
13N98.9Very high98.8Very high25 Ų2531.3 Ų31.313%0.13418%0.179CC..Hα-helixtrans-61.7-39.5178.6-66.4153.6000112.8S9 A10 A16 K17 K152 L156 V183 P185S9-N13 VanDerWaalsContact O-CG 3.26Å; S9-N13 PolarHBondContact O-N 3.35Å; S9-N13 PolarHBondContact O-OD1 3.4Å; A10-N13 PolarHBondContact O-N 3.49Å; N13-A16 PolarHBondContact O-N 3.36Å; N13-K17 WeakPolarHBondContact O-CB 3.32Å; N13-K17 PolarHBondContact O-N 3.18Å; N13-K17 VanDerWaalsContact O-N 3.14Å; N13-K152 WeakPolarHBondContact OD1-CE 3.2Å; N13-K152 PolarHBondContact OD1-NZ 3.21Å; N13-L156 HydrophobicContact CB-CD2 4.27Å; N13-V183 PolarHBondContact OD1-O 2.81Å; N13-P185 HydrophobicContact CB-CB 4.09Å
14A98.8Very high98.8Very high9 Ų931.3 Ų31.37%0.07418%0.179CC..Hα-helixtrans-62.1-49.8176.100000111.7A10 L11 D12 A16 K17 D18 I74 L156 I159A10-A14 PolarHBondContact O-N 2.99Å; L11-A14 PolarHBondContact O-N 3.01Å; D12-A14 VanDerWaalsContact C-N 3.33Å; D12-A14 PolarHBondContact O-N 2.77Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.42Å; A14-K17 PolarHBondContact O-N 2.83Å; A14-D18 WeakPolarHBondContact O-CB 3.4Å; A14-D18 PolarHBondContact O-N 3.36Å; A14-I74 HydrophobicContact CB-CD1 4.35Å; A14-L156 HydrophobicContact CB-CD2 4.45Å; A14-I159 HydrophobicContact CB-CD1 4.01Å; A14-I159 HydrophobicContact CB-CG2 4.07Å
15L98.9Very high98.8Very high1 Ų130.3 Ų30.31%0.00517%0.174CC..Hα-helixtrans-65.1-33.6178.8-70.2171.6000113L11 D12 A21 I23 L40 Y44 R48 V49L11-L15 WeakPolarHBondContact O-CG 3.16Å; L11-L15 PolarHBondContact O-N 2.69Å; D12-L15 PolarHBondContact O-N 2.67Å; L15-A21 HydrophobicContact CD2-CB 3.98Å; L15-A21 WeakPolarHBondContact CD2-O 3.45Å; L15-I23 HydrophobicContact CD1-CD1 3.61Å; L15-I23 HydrophobicContact CD1-CG1 4.24Å; L15-I23 HydrophobicContact CD2-CG1 4.33Å; L15-I23 HydrophobicContact CG-CD1 4.18Å; L15-I23 HydrophobicContact CG-CG1 4.5Å; L15-L40 HydrophobicContact CD1-CB 4.38Å; L15-L40 HydrophobicContact CD1-CD1 4.42Å; L15-Y44 HydrophobicContact CB-CD1 3.87Å; L15-Y44 HydrophobicContact CB-CD2 3.74Å; L15-Y44 HydrophobicContact CB-CE1 3.81Å; L15-Y44 HydrophobicContact CB-CE2 3.65Å; L15-Y44 HydrophobicContact CB-CG 3.85Å; L15-Y44 HydrophobicContact CD1-CD2 3.37Å; L15-Y44 HydrophobicContact CD1-CE2 3.86Å; L15-Y44 HydrophobicContact CD1-CG 3.86Å; L15-Y44 HydrophobicContact CG-CD2 4.19Å; L15-Y44 HydrophobicContact CG-CE2 4.43Å; L15-Y44 HydrophobicContact CG-CG 4.41Å; L15-R48 PolarHBondContact O-NH1 3.44Å; L15-R48 PolarHBondContact O-NH2 3.12Å; L15-V49 HydrophobicContact CD1-CG2 4Å
16A98.8Very high98.8Very high67 Ų6726.9 Ų26.955%0.55416%0.158SC*.Hα-helixtrans-66-43.917700000112.4D12 N13 A14 Y44D12-A16 WeakPolarHBondContact O-CB 3.49Å; D12-A16 PolarHBondContact O-N 2.82Å; N13-A16 PolarHBondContact O-N 3.36Å; A14-A16 VanDerWaalsContact C-N 3.32Å; A14-A16 PolarHBondContact O-N 3.42Å; A16-Y44 WeakPolarHBondContact CB-OH 3.49Å
17K98.1Very high98.8Very high139 Ų13930 Ų3060%0.60418%0.175SC*.Hα-helixtrans-84.5-37.2-173.2179.2-177.1170.1-169.90112.6N13 A14 E160N13-K17 WeakPolarHBondContact O-CB 3.32Å; N13-K17 PolarHBondContact O-N 3.18Å; N13-K17 VanDerWaalsContact O-N 3.14Å; A14-K17 PolarHBondContact O-N 2.83Å; K17-E160 IonicContact NZ-OE1 3.64Å; K17-E160 PolarHBondContact NZ-OE1 3.06Å
18D98.7Very high98.8Very high41 Ų4130 Ų3022%0.21918%0.175CC..  trans-108.8109.4-177-179.7-2.9000110.1A14 T20 A21 R48 T72A14-D18 WeakPolarHBondContact O-CB 3.4Å; A14-D18 PolarHBondContact O-N 3.36Å; D18-T20 VanDerWaalsContact CG-OG1 3.32Å; D18-T20 PolarHBondContact O-N 2.75Å; D18-T20 WeakPolarHBondContact OD1-CA 3.16Å; D18-T20 WeakPolarHBondContact OD1-CB 3.37Å; D18-T20 PolarHBondContact OD1-N 3.18Å; D18-T20 PolarHBondContact OD1-OG1 3.23Å; D18-T20 PolarHBondContact OD2-OG1 3.06Å; D18-A21 HydrophobicContact CB-CB 4.06Å; D18-A21 PolarHBondContact O-N 3Å; D18-R48 PolarHBondContact O-NH2 2.97Å; D18-T72 WeakPolarHBondContact OD2-CB 3.46Å; D18-T72 PolarHBondContact OD2-OG1 3.07Å
19P98.6Very high98.8Very high109 Ų10929.6 Ų29.671%0.70817%0.174SC*.THydrogen-bonded Turntrans-69.4-1618029.6-35.1000113.4
20T98.8Very high98.7Very high59 Ų5935.6 Ų35.636%0.36220%0.199SC..THydrogen-bonded Turntrans-86.2-17.8179.475.80000112.7D18 V22 T72D18-T20 VanDerWaalsContact CG-OG1 3.32Å; D18-T20 PolarHBondContact O-N 2.75Å; D18-T20 WeakPolarHBondContact OD1-CA 3.16Å; D18-T20 WeakPolarHBondContact OD1-CB 3.37Å; D18-T20 PolarHBondContact OD1-N 3.18Å; D18-T20 PolarHBondContact OD1-OG1 3.23Å; D18-T20 PolarHBondContact OD2-OG1 3.06Å; T20-V22 PolarHBondContact O-N 3.22Å; T20-T72 PolarHBondContact OG1-N 3.2Å; T20-T72 VanDerWaalsContact OG1-N 3.16Å
21A98.9Very high98.6Very high0 Ų035.6 Ų35.60%020%0.199CC..  trans-64.5134.5-172.900000112.2L15 D18 R48 T72L15-A21 HydrophobicContact CD2-CB 3.98Å; L15-A21 WeakPolarHBondContact CD2-O 3.45Å; D18-A21 HydrophobicContact CB-CB 4.06Å; D18-A21 PolarHBondContact O-N 3Å; A21-R48 VanDerWaalsContact O-CZ 3.26Å; A21-R48 PolarHBondContact O-NE 3.21Å; A21-R48 PolarHBondContact O-NH2 2.63Å; A21-T72 CarbonylContact C-O 3.56Å; A21-T72 VanDerWaalsContact CA-O 3.3Å; A21-T72 WeakPolarHBondContact CA-O 3.28Å; A21-T72 HydrophobicContact CB-CG2 3.97Å
22V98.9Very high98.5Very high22 Ų2235.6 Ų35.613%0.13320%0.199CC..EExtended strand (participates in β ladder)trans-131.5145.9174.6-62.20000110.8T20 F24 R48 F50 V66 T72 I74T20-V22 PolarHBondContact O-N 3.22Å; V22-F24 HydrophobicContact CG2-CD1 3.85Å; V22-F24 HydrophobicContact CG2-CE1 3.89Å; V22-R48 CarbonylContact C-O 3.42Å; V22-R48 WeakPolarHBondContact CA-O 3.18Å; V22-F50 HydrophobicContact CB-CE1 4.16Å; V22-V66 HydrophobicContact CG2-CG1 3.98Å; V22-T72 PolarHBondContact N-O 3.28Å; V22-I74 WeakPolarHBondContact O-CB 3.42Å; V22-I74 PolarHBondContact O-N 2.94Å
23I98.9Very high98.5Very high0 Ų036.8 Ų36.80%021%0.208CC..EExtended strand (participates in β ladder)trans-115.5127.4175.8-54.8177.1000108.4L11 L15 T37 L40 R48 V49 F50 I74L11-I23 HydrophobicContact CB-CD1 3.87Å; L11-I23 HydrophobicContact CD1-CD1 4.14Å; L11-I23 HydrophobicContact CD2-CD1 3.98Å; L11-I23 HydrophobicContact CG-CD1 4.21Å; L15-I23 HydrophobicContact CD1-CD1 3.61Å; L15-I23 HydrophobicContact CD1-CG1 4.24Å; L15-I23 HydrophobicContact CD2-CG1 4.33Å; L15-I23 HydrophobicContact CG-CD1 4.18Å; L15-I23 HydrophobicContact CG-CG1 4.5Å; I23-T37 HydrophobicContact CG2-CG2 4.03Å; I23-L40 HydrophobicContact CD1-CD1 3.7Å; I23-R48 PolarHBondContact N-O 2.92Å; I23-V49 HydrophobicContact CB-CG1 4.4Å; I23-V49 HydrophobicContact CB-CG2 4.36Å; I23-V49 HydrophobicContact CD1-CG2 4.47Å; I23-V49 WeakPolarHBondContact O-CA 3.34Å; I23-F50 PolarHBondContact O-N 3.18Å; I23-F50 VanDerWaalsContact O-N 3.13Å; I23-I74 WeakPolarHBondContact CA-O 3.15Å; I23-I74 HydrophobicContact CG1-CB 4.16Å; I23-I74 HydrophobicContact CG1-CD1 4.22Å
24F98.9Very high98.5Very high0 Ų037.9 Ų37.90%021%0.211CC..EExtended strand (participates in β ladder)trans-149.5154.8-178.756.4-91.5000111.8V22 F50 T52 I59 F62 A73 I74 A75 E76V22-F24 HydrophobicContact CG2-CD1 3.85Å; V22-F24 HydrophobicContact CG2-CE1 3.89Å; F24-F50 WeakPolarHBondContact CA-O 3.22Å; F24-F50 HydrophobicContact CB-CD2 3.79Å; F24-F50 HydrophobicContact CB-CE1 4.26Å; F24-F50 HydrophobicContact CB-CE2 3.39Å; F24-F50 HydrophobicContact CB-CG 4.38Å; F24-F50 HydrophobicContact CB-CZ 3.66Å; F24-F50 HydrophobicContact CD1-CE2 4.48Å; F24-F50 HydrophobicContact CD1-CZ 4.01Å; F24-F50 HydrophobicContact CG-CE2 4.07Å; F24-F50 HydrophobicContact CG-CZ 4.06Å; F24-T52 HydrophobicContact CB-CG2 4.04Å; F24-T52 HydrophobicContact CD2-CG2 4.09Å; F24-I59 HydrophobicContact CD2-CG2 4.22Å; F24-I59 HydrophobicContact CE2-CG2 4.12Å; F24-I59 WeakPolarHBondContact CE2-O 3.41Å; F24-F62 HydrophobicContact CD1-CD1 4.42Å; F24-F62 HydrophobicContact CD1-CE1 4.06Å; F24-F62 AromaticContact CD2-CD1 3.88Å; F24-F62 HydrophobicContact CD2-CD1 3.88Å; F24-F62 HydrophobicContact CD2-CE1 4.22Å; F24-F62 HydrophobicContact CE1-CD1 4.32Å; F24-F62 HydrophobicContact CE1-CE1 4.2Å; F24-F62 AromaticContact CE2-CD1 3.77Å; F24-F62 HydrophobicContact CE2-CD1 3.77Å; F24-F62 HydrophobicContact CE2-CE1 4.36Å; F24-F62 HydrophobicContact CG-CD1 4.23Å; F24-F62 HydrophobicContact CG-CE1 4.1Å; F24-F62 HydrophobicContact CZ-CD1 4.02Å; F24-F62 HydrophobicContact CZ-CE1 4.37Å; F24-A73 HydrophobicContact CE1-CB 4Å; F24-A73 HydrophobicContact CZ-CB 4.11Å; F24-I74 PolarHBondContact N-O 3.08Å; F24-A75 HydrophobicContact CD2-CB 4.38Å; F24-A75 HydrophobicContact CE2-CB 3.59Å; F24-A75 HydrophobicContact CZ-CB 3.85Å; F24-A75 CarbonylContact O-C 3.53Å; F24-A75 WeakPolarHBondContact O-CA 3.22Å; F24-E76 PolarHBondContact O-N 3.23Å
25G98.9Very high98.5Very high0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans157.8-174.1-178.100000110D27 N51 T52G25-D27 PolarHBondContact O-N 2.88Å; G25-N51 VanDerWaalsContact O-CA 3.29Å; G25-N51 WeakPolarHBondContact O-CA 3.32Å; G25-T52 WeakPolarHBondContact CA-OG1 3.48Å; G25-T52 PolarHBondContact O-N 3.39Å; G25-T52 PolarHBondContact O-OG1 3.21Å
26E98.8Very high98.5Very high13 Ų1344.1 Ų44.16%0.06123%0.233CC..SBendtrans-70.2129175.8-71.6160.6-15500110.1V28 T52 L54 C55 I59E26-V28 PolarHBondContact O-N 3.31Å; E26-T52 PolarHBondContact N-OG1 3.22Å; E26-L54 HydrophobicContact CG-CB 4.42Å; E26-L54 HydrophobicContact CG-CG 4.24Å; E26-L54 VanDerWaalsContact OE1-CA 3.29Å; E26-L54 WeakPolarHBondContact OE1-CA 3.49Å; E26-C55 PolarHBondContact OE1-N 3.14Å; E26-I59 HydrophobicContact CG-CD1 4.13Å
27D98.4Very high98.5Very high66 Ų6641 Ų4135%0.35321%0.207SC..SBendtrans63.56.9170.4-68.5-43.5000117.6G25 A29 F30 G32 V33 N51 Q78G25-D27 PolarHBondContact O-N 2.88Å; D27-A29 PolarHBondContact O-N 2.9Å; D27-F30 HydrophobicContact CB-CD1 4.24Å; D27-F30 HydrophobicContact CB-CE1 3.68Å; D27-F30 WeakPolarHBondContact O-CD1 3.35Å; D27-F30 WeakPolarHBondContact O-CE1 3.41Å; D27-G32 WeakPolarHBondContact O-CA 3.38Å; D27-G32 PolarHBondContact O-N 2.89Å; D27-G32 VanDerWaalsContact O-N 3.07Å; D27-V33 HydrophobicContact CB-CG1 4.45Å; D27-N51 VanDerWaalsContact C-OD1 3.3Å; D27-N51 WeakPolarHBondContact CA-OD1 3.38Å; D27-N51 PolarHBondContact N-OD1 3.05Å; D27-Q78 PolarHBondContact OD2-NE2 3.44Å
28V98.6Very high98.5Very high0 Ų037.8 Ų37.80%020%0.199CC..G310 helixtrans-63.8-24.7-179.2-58.80000113.8E26 F30 G31 T37 F50 N51 E76E26-V28 PolarHBondContact O-N 3.31Å; V28-F30 PolarHBondContact O-N 2.87Å; V28-G31 PolarHBondContact O-N 3.07Å; V28-T37 HydrophobicContact CB-CG2 4.34Å; V28-T37 PolarHBondContact O-OG1 3.05Å; V28-F50 WeakPolarHBondContact CG2-O 3.37Å; V28-N51 PolarHBondContact N-OD1 3.46Å; V28-N51 VanDerWaalsContact N-OD1 3.12Å; V28-E76 HydrophobicContact CG1-CB 3.78Å; V28-E76 HydrophobicContact CG1-CG 4.3Å
29A98.3Very high98.5Very high17 Ų1737.6 Ų37.614%0.1421%0.206CC..G310 helixtrans-66.5-38.2-173.200000113.9D27 G31 R41 N51D27-A29 PolarHBondContact O-N 2.9Å; A29-G31 VanDerWaalsContact C-N 3.28Å; A29-R41 VanDerWaalsContact CB-NH1 3.33Å; A29-R41 WeakPolarHBondContact O-CD 3.38Å; A29-N51 WeakPolarHBondContact CB-OD1 3.22Å; A29-N51 PolarHBondContact N-OD1 3.42Å
30F97.2Very high98.5Very high141 Ų14132.5 Ų32.562%0.61817%0.174SC*.G310 helixtrans-84.2-9.9177.983.1-97.1000112.4D27 V28D27-F30 HydrophobicContact CB-CD1 4.24Å; D27-F30 HydrophobicContact CB-CE1 3.68Å; D27-F30 WeakPolarHBondContact O-CD1 3.35Å; D27-F30 WeakPolarHBondContact O-CE1 3.41Å; V28-F30 PolarHBondContact O-N 2.87Å
31G97.3Very high98.5Very high0 Ų034 Ų340%017%0.172CC..THydrogen-bonded Turntrans130.5-2.5-179.700000115.1V28 A29 R35 C36 T37V28-G31 PolarHBondContact O-N 3.07Å; A29-G31 VanDerWaalsContact C-N 3.28Å; G31-R35 CarbonylContact O-C 3.53Å; G31-R35 WeakPolarHBondContact O-CA 3.43Å; G31-R35 PolarHBondContact O-N 3.09Å; G31-C36 PolarHBondContact O-N 3.49Å; G31-T37 VanDerWaalsContact CA-OG1 3.29Å; G31-T37 WeakPolarHBondContact CA-OG1 3.48Å; G31-T37 PolarHBondContact O-N 3.31Å; G31-T37 PolarHBondContact O-OG1 2.91Å; G31-T37 VanDerWaalsContact O-OG1 3.06Å
32G97.8Very high98.5Very high1 Ų141.1 Ų41.11%0.0121%0.211CC..  trans76.7157.2-177.400000112.9D27 F34 R35 T37D27-G32 WeakPolarHBondContact O-CA 3.38Å; D27-G32 PolarHBondContact O-N 2.89Å; D27-G32 VanDerWaalsContact O-N 3.07Å; G32-F34 PolarHBondContact O-N 3.15Å; G32-R35 PolarHBondContact O-N 3.14Å; G32-T37 PolarHBondContact N-OG1 3.38Å
33V98.2Very high98.5Very high63 Ų6346 Ų4638%0.38223%0.23SC..THydrogen-bonded Turntrans-63.1-25-177.9-60.90000112.9D27 Q78D27-V33 HydrophobicContact CB-CG1 4.45Å; V33-Q78 HydrophobicContact CG2-CG 3.72Å
34F98.4Very high98.5Very high47 Ų4747.9 Ų47.921%0.20624%0.237CC..THydrogen-bonded Turntrans-101.15.8174.9-70.1-70.6000114.9G32 C36 F79 P115 Y174G32-F34 PolarHBondContact O-N 3.15Å; F34-C36 VanDerWaalsContact C-N 3.25Å; F34-C36 PolarHBondContact O-N 2.87Å; F34-F79 HydrophobicContact CE2-CD1 4.4Å; F34-F79 AromaticContact CE2-CE1 3.65Å; F34-F79 HydrophobicContact CE2-CE1 3.65Å; F34-F79 AromaticContact CE2-CE2 3.97Å; F34-F79 HydrophobicContact CE2-CE2 3.97Å; F34-F79 AromaticContact CE2-CZ 3.4Å; F34-F79 HydrophobicContact CE2-CZ 3.4Å; F34-F79 AromaticContact CZ-CE1 3.47Å; F34-F79 HydrophobicContact CZ-CE1 3.47Å; F34-F79 VanDerWaalsContact CZ-CE1 3.47Å; F34-F79 HydrophobicContact CZ-CE2 4.34Å; F34-F79 AromaticContact CZ-CZ 3.35Å; F34-F79 HydrophobicContact CZ-CZ 3.35Å; F34-P115 HydrophobicContact CD2-CB 4.12Å; F34-P115 HydrophobicContact CD2-CG 3.54Å; F34-P115 HydrophobicContact CE2-CB 3.8Å; F34-P115 HydrophobicContact CE2-CG 3.6Å; F34-P115 HydrophobicContact CZ-CB 4.46Å; F34-Y174 HydrophobicContact CB-CD2 4Å; F34-Y174 HydrophobicContact CB-CE2 3.72Å; F34-Y174 AromaticContact CD1-CD2 3.47Å; F34-Y174 HydrophobicContact CD1-CD2 3.47Å; F34-Y174 VanDerWaalsContact CD1-CD2 3.47Å; F34-Y174 AromaticContact CD1-CE2 3.59Å; F34-Y174 HydrophobicContact CD1-CE2 3.59Å; F34-Y174 AromaticContact CD2-CE2 3.87Å; F34-Y174 HydrophobicContact CD2-CE2 3.87Å; F34-Y174 HydrophobicContact CE1-CD2 4.06Å; F34-Y174 HydrophobicContact CE1-CE2 4.15Å; F34-Y174 HydrophobicContact CE2-CE2 4.4Å; F34-Y174 AromaticContact CG-CD2 3.77Å; F34-Y174 HydrophobicContact CG-CD2 3.77Å; F34-Y174 AromaticContact CG-CE2 3.43Å; F34-Y174 HydrophobicContact CG-CE2 3.43Å; F34-Y174 VanDerWaalsContact CG-CE2 3.43Å
35R98.6Very high98.5Very high139 Ų13949.3 Ų49.353%0.52525%0.252SS..SBendtrans66.614.1-177.6-59.7-170.1177.7-179.3-4.5115.9F4 G31 G32 T37 V38F4-R35 HydrophobicContact CD2-CB 4.03Å; F4-R35 HydrophobicContact CE2-CB 3.94Å; G31-R35 CarbonylContact O-C 3.53Å; G31-R35 WeakPolarHBondContact O-CA 3.43Å; G31-R35 PolarHBondContact O-N 3.09Å; G32-R35 PolarHBondContact O-N 3.14Å; R35-T37 PolarHBondContact O-N 3.46Å; R35-V38 HydrophobicContact CB-CG2 3.66Å; R35-V38 HydrophobicContact CG-CG2 4Å; R35-V38 PolarHBondContact O-N 3.47Å
36C98.8Very high98.5Very high2 Ų255.7 Ų55.71%0.01428%0.28CS..THydrogen-bonded Turntrans-64.2-22.7-178.3-67.80000113.9I7 T8 G31 F34I7-C36 HydrophobicContact CB-CB 4.46Å; I7-C36 HydrophobicContact CG2-CB 3.91Å; T8-C36 VanDerWaalsContact CA-O 3.28Å; T8-C36 WeakPolarHBondContact CA-O 3.45Å; T8-C36 WeakPolarHBondContact CB-O 3.46Å; T8-C36 VanDerWaalsContact OG1-C 3.31Å; T8-C36 PolarHBondContact OG1-O 2.94Å; G31-C36 PolarHBondContact O-N 3.49Å; F34-C36 VanDerWaalsContact C-N 3.25Å; F34-C36 PolarHBondContact O-N 2.87Å
37T98.8Very high98.5Very high1 Ų161.1 Ų61.11%0.00631%0.309CS..THydrogen-bonded Turntrans-116.513.8-175.556.70000113.8L11 I23 V28 G31 G32 R35 G39 L40L11-T37 HydrophobicContact CD1-CG2 4.02Å; I23-T37 HydrophobicContact CG2-CG2 4.03Å; V28-T37 HydrophobicContact CB-CG2 4.34Å; V28-T37 PolarHBondContact O-OG1 3.05Å; G31-T37 VanDerWaalsContact CA-OG1 3.29Å; G31-T37 WeakPolarHBondContact CA-OG1 3.48Å; G31-T37 PolarHBondContact O-N 3.31Å; G31-T37 PolarHBondContact O-OG1 2.91Å; G31-T37 VanDerWaalsContact O-OG1 3.06Å; G32-T37 PolarHBondContact N-OG1 3.38Å; R35-T37 PolarHBondContact O-N 3.46Å; T37-G39 PolarHBondContact O-N 3.08Å; T37-L40 HydrophobicContact CG2-CD1 4.34Å; T37-L40 WeakPolarHBondContact O-CB 3.46Å; T37-L40 PolarHBondContact O-N 3.36Å
38V98.8Very high98.5Very high72 Ų7260.2 Ų60.244%0.43630%0.301SS..THydrogen-bonded Turntrans-55.9132.1-178169.90000111.2R35 L40R35-V38 HydrophobicContact CB-CG2 3.66Å; R35-V38 HydrophobicContact CG-CG2 4Å; R35-V38 PolarHBondContact O-N 3.47Å; V38-L40 PolarHBondContact O-N 2.86Å; V38-L40 VanDerWaalsContact O-N 3.16Å
39G98.6Very high98.5Very high37 Ų3760.2 Ų60.238%0.38130%0.301SS..THydrogen-bonded Turntrans76.1-11.9176.400000115.3T37 R41 D42 K43T37-G39 PolarHBondContact O-N 3.08Å; G39-R41 PolarHBondContact O-N 2.82Å; G39-D42 PolarHBondContact O-N 2.75Å; G39-K43 WeakPolarHBondContact O-CB 3.35Å; G39-K43 PolarHBondContact O-N 3.37Å; G39-K43 VanDerWaalsContact O-N 3.11Å
40L98.9Very high98.5Very high3 Ų361.7 Ų61.72%0.01631%0.305CS..Hα-helixtrans-66.9-38.8-178.2-61.7-176.9000112.1T8 L11 D12 L15 I23 T37 V38 K43 Y44 V49T8-L40 HydrophobicContact CG2-CD2 4.2Å; T8-L40 HydrophobicContact CG2-CG 4.32Å; L11-L40 HydrophobicContact CB-CD1 3.62Å; L11-L40 HydrophobicContact CD1-CD1 4.11Å; D12-L40 HydrophobicContact CB-CD2 3.83Å; L15-L40 HydrophobicContact CD1-CB 4.38Å; L15-L40 HydrophobicContact CD1-CD1 4.42Å; I23-L40 HydrophobicContact CD1-CD1 3.7Å; T37-L40 HydrophobicContact CG2-CD1 4.34Å; T37-L40 WeakPolarHBondContact O-CB 3.46Å; T37-L40 PolarHBondContact O-N 3.36Å; V38-L40 PolarHBondContact O-N 2.86Å; V38-L40 VanDerWaalsContact O-N 3.16Å; L40-K43 PolarHBondContact O-N 2.93Å; L40-Y44 HydrophobicContact CB-CD2 4.48Å; L40-Y44 HydrophobicContact CD2-CD2 4.43Å; L40-Y44 HydrophobicContact CD2-CE2 4.22Å; L40-Y44 WeakPolarHBondContact O-CB 3.33Å; L40-Y44 WeakPolarHBondContact O-CD2 3.46Å; L40-Y44 PolarHBondContact O-N 3.38Å; L40-V49 HydrophobicContact CB-CG2 4.03Å
41R98.8Very high98.6Very high90 Ų9058.4 Ų58.434%0.3429%0.293SS..Hα-helixtrans-63.8-42.4176.5179.8175.2168.5135.3-8.9112.7A29 G39 K43 G45 V49A29-R41 VanDerWaalsContact CB-NH1 3.33Å; A29-R41 WeakPolarHBondContact O-CD 3.38Å; G39-R41 PolarHBondContact O-N 2.82Å; R41-K43 VanDerWaalsContact C-N 3.27Å; R41-K43 PolarHBondContact O-N 3.44Å; R41-G45 CarbonylContact O-C 3.47Å; R41-G45 VanDerWaalsContact O-CA 3.25Å; R41-G45 WeakPolarHBondContact O-CA 3.3Å; R41-G45 PolarHBondContact O-N 3.45Å; R41-V49 HydrophobicContact CB-CB 3.9Å; R41-V49 HydrophobicContact CB-CG1 4.06Å; R41-V49 HydrophobicContact CG-CB 4.48Å
42D98.8Very high98.7Very high150 Ų15059.7 Ų59.780%0.80230%0.301SS*.Hα-helixtrans-65.9-35.4178.6-63.1-29.9000111.1G39G39-D42 PolarHBondContact O-N 2.75Å
43K98.8Very high98.7Very high124 Ų12464.8 Ų64.854%0.53933%0.334SS..Hα-helixtrans-76.7-42.3179.7-171.7175-176.9-171.40113.7D12 G39 L40 R41D12-K43 IonicContact OD1-NZ 2.69Å; D12-K43 PolarHBondContact OD1-NZ 2.9Å; D12-K43 IonicContact OD2-NZ 2.76Å; D12-K43 PolarHBondContact OD2-NZ 3.33Å; G39-K43 WeakPolarHBondContact O-CB 3.35Å; G39-K43 PolarHBondContact O-N 3.37Å; G39-K43 VanDerWaalsContact O-N 3.11Å; L40-K43 PolarHBondContact O-N 2.93Å; R41-K43 VanDerWaalsContact C-N 3.27Å; R41-K43 PolarHBondContact O-N 3.44Å
44Y98.9Very high98.7Very high39 Ų3968.4 Ų68.415%0.15335%0.35CS..Hα-helixtrans-110.1-4.7-169.6-66.4-69.1000114.7D12 L15 A16 L40D12-Y44 PolarHBondContact O-OH 3.36Å; D12-Y44 VanDerWaalsContact O-OH 3.06Å; D12-Y44 PolarHBondContact OD1-OH 3.46Å; L15-Y44 HydrophobicContact CB-CD1 3.87Å; L15-Y44 HydrophobicContact CB-CD2 3.74Å; L15-Y44 HydrophobicContact CB-CE1 3.81Å; L15-Y44 HydrophobicContact CB-CE2 3.65Å; L15-Y44 HydrophobicContact CB-CG 3.85Å; L15-Y44 HydrophobicContact CD1-CD2 3.37Å; L15-Y44 HydrophobicContact CD1-CE2 3.86Å; L15-Y44 HydrophobicContact CD1-CG 3.86Å; L15-Y44 HydrophobicContact CG-CD2 4.19Å; L15-Y44 HydrophobicContact CG-CE2 4.43Å; L15-Y44 HydrophobicContact CG-CG 4.41Å; A16-Y44 WeakPolarHBondContact CB-OH 3.49Å; L40-Y44 HydrophobicContact CB-CD2 4.48Å; L40-Y44 HydrophobicContact CD2-CD2 4.43Å; L40-Y44 HydrophobicContact CD2-CE2 4.22Å; L40-Y44 WeakPolarHBondContact O-CB 3.33Å; L40-Y44 WeakPolarHBondContact O-CD2 3.46Å; L40-Y44 PolarHBondContact O-N 3.38Å
45G98.7Very high98.7Very high31 Ų3168.5 Ų68.532%0.3236%0.357SS..  trans89.9155.8177.400000114R41 D47 R48 V49R41-G45 CarbonylContact O-C 3.47Å; R41-G45 VanDerWaalsContact O-CA 3.25Å; R41-G45 WeakPolarHBondContact O-CA 3.3Å; R41-G45 PolarHBondContact O-N 3.45Å; G45-D47 PolarHBondContact O-N 2.91Å; G45-R48 PolarHBondContact O-N 3.2Å; G45-R48 VanDerWaalsContact O-N 3.16Å; G45-V49 PolarHBondContact O-N 3.33Å
46K98.5Very high98.8Very high134 Ų13463.1 Ų63.158%0.58334%0.338SS*.THydrogen-bonded Turntrans-63.2-20.9-178.765.8177.6-176.5175.50114.2R48 F50K46-R48 VanDerWaalsContact C-N 3.32Å; K46-F50 WeakPolarHBondContact O-CB 3.4Å
47D98.6Very high98.8Very high126 Ų12668.5 Ų68.567%0.67436%0.363SS*.THydrogen-bonded Turntrans-83.7-14.2-179.1-53.8-42.9000111.8G45G45-D47 PolarHBondContact O-N 2.91Å
48R98.8Very high98.8Very high47 Ų4770.2 Ų70.218%0.17738%0.38CS..THydrogen-bonded Turntrans-107.4-22.8178.5-61.6-168.967-168.51.6114L15 D18 A21 V22 I23 G45 K46L15-R48 PolarHBondContact O-NH1 3.44Å; L15-R48 PolarHBondContact O-NH2 3.12Å; D18-R48 PolarHBondContact O-NH2 2.97Å; A21-R48 VanDerWaalsContact O-CZ 3.26Å; A21-R48 PolarHBondContact O-NE 3.21Å; A21-R48 PolarHBondContact O-NH2 2.63Å; V22-R48 CarbonylContact C-O 3.42Å; V22-R48 WeakPolarHBondContact CA-O 3.18Å; I23-R48 PolarHBondContact N-O 2.92Å; G45-R48 PolarHBondContact O-N 3.2Å; G45-R48 VanDerWaalsContact O-N 3.16Å; K46-R48 VanDerWaalsContact C-N 3.32Å
49V98.9Very high98.8Very high0 Ų066.9 Ų66.90%036%0.36CS..EExtended strand (participates in β ladder)trans-132.7103.1176-1730000109.4L15 I23 L40 R41 G45L15-V49 HydrophobicContact CD1-CG2 4Å; I23-V49 HydrophobicContact CB-CG1 4.4Å; I23-V49 HydrophobicContact CB-CG2 4.36Å; I23-V49 HydrophobicContact CD1-CG2 4.47Å; I23-V49 WeakPolarHBondContact O-CA 3.34Å; L40-V49 HydrophobicContact CB-CG2 4.03Å; R41-V49 HydrophobicContact CB-CB 3.9Å; R41-V49 HydrophobicContact CB-CG1 4.06Å; R41-V49 HydrophobicContact CG-CB 4.48Å; G45-V49 PolarHBondContact O-N 3.33Å
50F98.9Very high98.8Very high49 Ų4965.1 Ų65.122%0.21534%0.342CS..EExtended strand (participates in β ladder)trans-141.9151.6-169.655.2-90.1000114.1V22 I23 F24 V28 K46 F62V22-F50 HydrophobicContact CB-CE1 4.16Å; I23-F50 PolarHBondContact O-N 3.18Å; I23-F50 VanDerWaalsContact O-N 3.13Å; F24-F50 WeakPolarHBondContact CA-O 3.22Å; F24-F50 HydrophobicContact CB-CD2 3.79Å; F24-F50 HydrophobicContact CB-CE1 4.26Å; F24-F50 HydrophobicContact CB-CE2 3.39Å; F24-F50 HydrophobicContact CB-CG 4.38Å; F24-F50 HydrophobicContact CB-CZ 3.66Å; F24-F50 HydrophobicContact CD1-CE2 4.48Å; F24-F50 HydrophobicContact CD1-CZ 4.01Å; F24-F50 HydrophobicContact CG-CE2 4.07Å; F24-F50 HydrophobicContact CG-CZ 4.06Å; V28-F50 WeakPolarHBondContact CG2-O 3.37Å; K46-F50 WeakPolarHBondContact O-CB 3.4Å; F50-F62 AromaticContact CE2-CE1 3.96Å; F50-F62 HydrophobicContact CE2-CE1 3.96Å; F50-F62 HydrophobicContact CE2-CZ 4.19Å; F50-F62 AromaticContact CZ-CE1 3.81Å; F50-F62 HydrophobicContact CZ-CE1 3.81Å; F50-F62 HydrophobicContact CZ-CZ 4.02Å
51N98.9Very high98.8Very high72 Ų7266 Ų6639%0.38535%0.352SS..EExtended strand (participates in β ladder)trans-77144.2174-71.1-5.1000110.7G25 D27 V28 A29G25-N51 VanDerWaalsContact O-CA 3.29Å; G25-N51 WeakPolarHBondContact O-CA 3.32Å; D27-N51 VanDerWaalsContact C-OD1 3.3Å; D27-N51 WeakPolarHBondContact CA-OD1 3.38Å; D27-N51 PolarHBondContact N-OD1 3.05Å; V28-N51 PolarHBondContact N-OD1 3.46Å; V28-N51 VanDerWaalsContact N-OD1 3.12Å; A29-N51 WeakPolarHBondContact CB-OD1 3.22Å; A29-N51 PolarHBondContact N-OD1 3.42Å
52T98.9Very high98.8Very high27 Ų2766.4 Ų66.417%0.16636%0.356CS..PPolyproline II helixtrans-96.7165.7166.656.30000110.3F24 G25 E26 I59F24-T52 HydrophobicContact CB-CG2 4.04Å; F24-T52 HydrophobicContact CD2-CG2 4.09Å; G25-T52 WeakPolarHBondContact CA-OG1 3.48Å; G25-T52 PolarHBondContact O-N 3.39Å; G25-T52 PolarHBondContact O-OG1 3.21Å; E26-T52 PolarHBondContact N-OG1 3.22Å; T52-I59 HydrophobicContact CG2-CG1 4.12Å; T52-I59 WeakPolarHBondContact OG1-CD1 3.33Å; T52-I59 WeakPolarHBondContact OG1-CG1 3.32Å
53P98.8Very high98.8Very high108 Ų10859.2 Ų59.270%0.70132%0.318SS*.PPolyproline II helixtrans-55.9157.1156.1-21.834.4000111.1C55P53-C55 PolarHBondContact O-N 3.19Å
54L98.6Very high98.8Very high138 Ų13853.5 Ų53.572%0.72329%0.293SS*.SBendtrans-76.787.2179.9-159.4172.7000109.7E26E26-L54 HydrophobicContact CG-CB 4.42Å; E26-L54 HydrophobicContact CG-CG 4.24Å; E26-L54 VanDerWaalsContact OE1-CA 3.29Å; E26-L54 WeakPolarHBondContact OE1-CA 3.49Å
55C98.7Very high98.8Very high50 Ų5053.6 Ų53.634%0.33831%0.306SS..  trans-167.996.2-172.3-174.60000111.6E26 P53 Q57 G58 I59E26-C55 PolarHBondContact OE1-N 3.14Å; P53-C55 PolarHBondContact O-N 3.19Å; C55-Q57 PolarHBondContact O-N 2.72Å; C55-Q57 WeakPolarHBondContact SG-CG 3.48Å; C55-G58 CarbonylContact O-C 3.1Å; C55-G58 WeakPolarHBondContact O-CA 3.39Å; C55-G58 PolarHBondContact O-N 3.44Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 3.18Å
56E98.8Very high98.8Very high26 Ų2653.4 Ų53.412%0.12130%0.298CS..Hα-helixtrans-66.5-37.8-171.1-61.787.8168.800113.3G58 I59 V60 I77 Y82 P85 A86E56-G58 PolarHBondContact O-N 2.98Å; E56-I59 WeakPolarHBondContact O-CB 3.36Å; E56-I59 PolarHBondContact O-N 3.14Å; E56-V60 PolarHBondContact O-N 2.79Å; E56-I77 HydrophobicContact CB-CD1 3.76Å; E56-I77 HydrophobicContact CG-CD1 3.88Å; E56-I77 HydrophobicContact CG-CG2 4.44Å; E56-Y82 WeakPolarHBondContact CG-O 3.37Å; E56-P85 HydrophobicContact CB-CB 4.26Å; E56-P85 HydrophobicContact CB-CG 4.5Å; E56-A86 HydrophobicContact CB-CB 4.41Å
57Q98.7Very high98.8Very high115 Ų11547.1 Ų47.154%0.53727%0.272SS..Hα-helixtrans-59.6-36.6171.961.9178.589.500112C55 G61 P85C55-Q57 PolarHBondContact O-N 2.72Å; C55-Q57 WeakPolarHBondContact SG-CG 3.48Å; Q57-G61 PolarHBondContact O-N 3.46Å; Q57-P85 WeakPolarHBondContact CB-O 3.31Å
58G98.8Very high98.8Very high37 Ų3743.2 Ų43.238%0.38125%0.252SS..Hα-helixtrans-70.6-42.2176.400000111.5C55 E56 F62C55-G58 CarbonylContact O-C 3.1Å; C55-G58 WeakPolarHBondContact O-CA 3.39Å; C55-G58 PolarHBondContact O-N 3.44Å; E56-G58 PolarHBondContact O-N 2.98Å; G58-F62 WeakPolarHBondContact O-CB 3.32Å; G58-F62 PolarHBondContact O-N 2.85Å
59I98.9Very high98.8Very high2 Ų245.2 Ų45.21%0.0128%0.279CS..Hα-helixtrans-56.3-53.1176.6-68.2169.7000110.5F24 E26 T52 C55 E56 G63 A75 I77F24-I59 HydrophobicContact CD2-CG2 4.22Å; F24-I59 HydrophobicContact CE2-CG2 4.12Å; F24-I59 WeakPolarHBondContact CE2-O 3.41Å; E26-I59 HydrophobicContact CG-CD1 4.13Å; T52-I59 HydrophobicContact CG2-CG1 4.12Å; T52-I59 WeakPolarHBondContact OG1-CD1 3.33Å; T52-I59 WeakPolarHBondContact OG1-CG1 3.32Å; C55-I59 WeakPolarHBondContact O-CG1 3.44Å; C55-I59 PolarHBondContact O-N 3.18Å; E56-I59 WeakPolarHBondContact O-CB 3.36Å; E56-I59 PolarHBondContact O-N 3.14Å; I59-G63 PolarHBondContact O-N 3.43Å; I59-A75 HydrophobicContact CG2-CB 3.95Å; I59-I77 HydrophobicContact CB-CD1 4.27Å; I59-I77 HydrophobicContact CD1-CD1 4.36Å; I59-I77 HydrophobicContact CG2-CD1 4.02Å
60V98.9Very high98.6Very high0 Ų048 Ų480%031%0.307CS..Hα-helixtrans-70.2-45-177.71780000111.6E56 F62 G63 I64 I77 A86 Q89 I90 I112E56-V60 PolarHBondContact O-N 2.79Å; V60-F62 VanDerWaalsContact C-N 3.3Å; V60-F62 PolarHBondContact O-N 3.36Å; V60-G63 PolarHBondContact O-N 3.25Å; V60-G63 VanDerWaalsContact O-N 3.11Å; V60-I64 HydrophobicContact CG1-CD1 4.05Å; V60-I64 HydrophobicContact CG1-CG1 4.38Å; V60-I64 WeakPolarHBondContact O-CG1 3.5Å; V60-I64 PolarHBondContact O-N 2.96Å; V60-I77 HydrophobicContact CG2-CD1 4.21Å; V60-A86 HydrophobicContact CB-CB 3.89Å; V60-A86 HydrophobicContact CG2-CB 3.47Å; V60-A86 VanDerWaalsContact CG2-CB 3.47Å; V60-Q89 HydrophobicContact CB-CB 4.17Å; V60-Q89 HydrophobicContact CG1-CB 3.82Å; V60-I90 HydrophobicContact CG1-CG1 3.91Å; V60-I90 HydrophobicContact CG2-CG1 4.48Å; V60-I112 HydrophobicContact CB-CD1 4.5Å; V60-I112 HydrophobicContact CG1-CD1 3.76Å; V60-I112 HydrophobicContact CG2-CD1 3.91Å; V60-I112 HydrophobicContact CG2-CG1 4.43Å
61G98.9Very high98.6Very high22 Ų2246.8 Ų46.823%0.22731%0.306CS..Hα-helixtrans-59.8-40.2177.600000112.8Q57 I64 G65Q57-G61 PolarHBondContact O-N 3.46Å; G61-I64 PolarHBondContact O-N 3.15Å; G61-G65 PolarHBondContact O-N 2.64Å; G61-G65 VanDerWaalsContact O-N 3.16Å
62F98.9Very high98.6Very high97 Ų9744 Ų4443%0.42529%0.292SS..Hα-helixtrans-61.7-47.2172.6175.7-97.1000111.4F24 F50 G58 V60 I64 G65 V66F24-F62 HydrophobicContact CD1-CD1 4.42Å; F24-F62 HydrophobicContact CD1-CE1 4.06Å; F24-F62 AromaticContact CD2-CD1 3.88Å; F24-F62 HydrophobicContact CD2-CD1 3.88Å; F24-F62 HydrophobicContact CD2-CE1 4.22Å; F24-F62 HydrophobicContact CE1-CD1 4.32Å; F24-F62 HydrophobicContact CE1-CE1 4.2Å; F24-F62 AromaticContact CE2-CD1 3.77Å; F24-F62 HydrophobicContact CE2-CD1 3.77Å; F24-F62 HydrophobicContact CE2-CE1 4.36Å; F24-F62 HydrophobicContact CG-CD1 4.23Å; F24-F62 HydrophobicContact CG-CE1 4.1Å; F24-F62 HydrophobicContact CZ-CD1 4.02Å; F24-F62 HydrophobicContact CZ-CE1 4.37Å; F50-F62 AromaticContact CE2-CE1 3.96Å; F50-F62 HydrophobicContact CE2-CE1 3.96Å; F50-F62 HydrophobicContact CE2-CZ 4.19Å; F50-F62 AromaticContact CZ-CE1 3.81Å; F50-F62 HydrophobicContact CZ-CE1 3.81Å; F50-F62 HydrophobicContact CZ-CZ 4.02Å; G58-F62 WeakPolarHBondContact O-CB 3.32Å; G58-F62 PolarHBondContact O-N 2.85Å; V60-F62 VanDerWaalsContact C-N 3.3Å; V60-F62 PolarHBondContact O-N 3.36Å; F62-I64 VanDerWaalsContact C-N 3.33Å; F62-I64 PolarHBondContact O-N 3.45Å; F62-G65 PolarHBondContact O-N 2.93Å; F62-G65 VanDerWaalsContact O-N 3.09Å; F62-V66 HydrophobicContact CD1-CG2 4.17Å; F62-V66 HydrophobicContact CE1-CG2 3.7Å; F62-V66 HydrophobicContact CE2-CG2 4.37Å; F62-V66 HydrophobicContact CZ-CG2 3.82Å; F62-V66 WeakPolarHBondContact O-CG2 3.21Å; F62-V66 PolarHBondContact O-N 2.93Å
63G98.9Very high98.6Very high0 Ų042.7 Ų42.70%028%0.284CS..Hα-helixtrans-60.3-39.4177.500000113.9I59 V60 G65 V66 A67 A73I59-G63 PolarHBondContact O-N 3.43Å; V60-G63 PolarHBondContact O-N 3.25Å; V60-G63 VanDerWaalsContact O-N 3.11Å; G63-G65 VanDerWaalsContact C-N 3.33Å; G63-G65 PolarHBondContact O-N 2.96Å; G63-V66 PolarHBondContact O-N 2.82Å; G63-A67 WeakPolarHBondContact O-CB 3.4Å; G63-A67 PolarHBondContact O-N 2.78Å; G63-A73 WeakPolarHBondContact O-CB 3.42Å
64I98.9Very high98.6Very high4 Ų437.5 Ų37.52%0.02125%0.25CS..Hα-helixtrans-57.9-48172.1-68.3166.5000110V60 G61 F62 V66 A67 V68 Q89 E93 A94 Y97 C107 L110V60-I64 HydrophobicContact CG1-CD1 4.05Å; V60-I64 HydrophobicContact CG1-CG1 4.38Å; V60-I64 WeakPolarHBondContact O-CG1 3.5Å; V60-I64 PolarHBondContact O-N 2.96Å; G61-I64 PolarHBondContact O-N 3.15Å; F62-I64 VanDerWaalsContact C-N 3.33Å; F62-I64 PolarHBondContact O-N 3.45Å; I64-V66 PolarHBondContact O-N 3.14Å; I64-A67 PolarHBondContact O-N 3.39Å; I64-V68 HydrophobicContact CG2-CG2 4.24Å; I64-V68 WeakPolarHBondContact O-CG2 3.06Å; I64-V68 PolarHBondContact O-N 2.82Å; I64-Q89 HydrophobicContact CD1-CB 4.18Å; I64-Q89 WeakPolarHBondContact CD1-O 3.47Å; I64-E93 HydrophobicContact CD1-CB 3.95Å; I64-A94 HydrophobicContact CD1-CB 3.84Å; I64-A94 HydrophobicContact CG1-CB 4.06Å; I64-Y97 HydrophobicContact CG2-CD2 3.7Å; I64-Y97 HydrophobicContact CG2-CE2 3.34Å; I64-C107 HydrophobicContact CG2-CB 4.12Å; I64-L110 HydrophobicContact CG1-CD2 3.65Å
65G98.9Very high98.7Very high41 Ų4131 Ų3142%0.42322%0.216SC..Hα-helixtrans-59.5-43.3178.300000113.5G61 F62 G63 V68 A69G61-G65 PolarHBondContact O-N 2.64Å; G61-G65 VanDerWaalsContact O-N 3.16Å; F62-G65 PolarHBondContact O-N 2.93Å; F62-G65 VanDerWaalsContact O-N 3.09Å; G63-G65 VanDerWaalsContact C-N 3.33Å; G63-G65 PolarHBondContact O-N 2.96Å; G65-V68 PolarHBondContact O-N 2.75Å; G65-A69 PolarHBondContact O-N 3.43Å; G65-A69 VanDerWaalsContact O-N 3.14Å
66V98.8Very high98.7Very high26 Ų2628.8 Ų28.816%0.15820%0.201CC..Hα-helixtrans-60.3-45.8174.5175.10000111V22 F62 G63 I64 V68 A69 A71 A73V22-V66 HydrophobicContact CG2-CG1 3.98Å; F62-V66 HydrophobicContact CD1-CG2 4.17Å; F62-V66 HydrophobicContact CE1-CG2 3.7Å; F62-V66 HydrophobicContact CE2-CG2 4.37Å; F62-V66 HydrophobicContact CZ-CG2 3.82Å; F62-V66 WeakPolarHBondContact O-CG2 3.21Å; F62-V66 PolarHBondContact O-N 2.93Å; G63-V66 PolarHBondContact O-N 2.82Å; I64-V66 PolarHBondContact O-N 3.14Å; V66-V68 PolarHBondContact O-N 3.39Å; V66-A69 PolarHBondContact O-N 3.04Å; V66-A71 HydrophobicContact CG1-CB 3.76Å; V66-A71 PolarHBondContact O-N 2.94Å; V66-A73 HydrophobicContact CB-CB 3.96Å; V66-A73 HydrophobicContact CG1-CB 3.85Å
67A98.9Very high98.7Very high3 Ų327.6 Ų27.63%0.02520%0.195CC..Hα-helixtrans-65.1-38.6179.200000112.8G63 I64 A69 G70 A71 A73 C107 S109 L110G63-A67 WeakPolarHBondContact O-CB 3.4Å; G63-A67 PolarHBondContact O-N 2.78Å; I64-A67 PolarHBondContact O-N 3.39Å; A67-A69 VanDerWaalsContact C-N 3.27Å; A67-A69 PolarHBondContact O-N 3.11Å; A67-G70 WeakPolarHBondContact O-CA 3.43Å; A67-G70 PolarHBondContact O-N 3.27Å; A67-A71 WeakPolarHBondContact CA-O 3.4Å; A67-A73 HydrophobicContact CB-CB 4.36Å; A67-C107 HydrophobicContact CB-CB 3.89Å; A67-S109 WeakPolarHBondContact CA-OG 3.24Å; A67-S109 WeakPolarHBondContact CB-OG 3.5Å; A67-S109 PolarHBondContact O-OG 3.42Å; A67-L110 HydrophobicContact CB-CB 3.99Å
68V98.8Very high98.7Very high44 Ų4423.7 Ų23.727%0.26718%0.177SC..Hα-helixtrans-64.5-32.4176170.50000111.9I64 G65 V66 G70 Y97 F105 N106 C107I64-V68 HydrophobicContact CG2-CG2 4.24Å; I64-V68 WeakPolarHBondContact O-CG2 3.06Å; I64-V68 PolarHBondContact O-N 2.82Å; G65-V68 PolarHBondContact O-N 2.75Å; V66-V68 PolarHBondContact O-N 3.39Å; V68-G70 PolarHBondContact O-N 3.22Å; V68-Y97 HydrophobicContact CG1-CE1 4.35Å; V68-Y97 HydrophobicContact CG2-CD1 3.92Å; V68-Y97 HydrophobicContact CG2-CE1 3.34Å; V68-Y97 HydrophobicContact CG2-CE2 4.3Å; V68-F105 HydrophobicContact CG1-CD1 4.32Å; V68-N106 WeakPolarHBondContact CA-O 3.29Å; V68-C107 HydrophobicContact CG2-CB 4.17Å
69A98.5Very high98.7Very high89 Ų8922.9 Ų22.974%0.73616%0.163SC*.THydrogen-bonded Turntrans-72.9-4.4172.900000113.6G65 V66 A67G65-A69 PolarHBondContact O-N 3.43Å; G65-A69 VanDerWaalsContact O-N 3.14Å; V66-A69 PolarHBondContact O-N 3.04Å; A67-A69 VanDerWaalsContact C-N 3.27Å; A67-A69 PolarHBondContact O-N 3.11Å
70G95Very high98.7Very high58 Ų5822.8 Ų22.860%0.59816%0.163SC*.THydrogen-bonded Turntrans92.67.1176.700000115.1A67 V68A67-G70 WeakPolarHBondContact O-CA 3.43Å; A67-G70 PolarHBondContact O-N 3.27Å; V68-G70 PolarHBondContact O-N 3.22Å
71A98.7Very high98.7Very high23 Ų2323.1 Ų23.119%0.1917%0.165CC..  trans-92.6153.7175.600000111.7V66 A67 A73 S109V66-A71 HydrophobicContact CG1-CB 3.76Å; V66-A71 PolarHBondContact O-N 2.94Å; A67-A71 WeakPolarHBondContact CA-O 3.4Å; A71-A73 PolarHBondContact O-N 3.39Å; A71-S109 WeakPolarHBondContact O-CB 3.42Å; A71-S109 PolarHBondContact O-OG 2.82Å
72T98.9Very high98.6Very high13 Ų1325.2 Ų25.28%0.0817%0.166CC..  trans-78.1121174.6-64.30000111.2D18 T20 A21 V22 I74 I159D18-T72 WeakPolarHBondContact OD2-CB 3.46Å; D18-T72 PolarHBondContact OD2-OG1 3.07Å; T20-T72 PolarHBondContact OG1-N 3.2Å; T20-T72 VanDerWaalsContact OG1-N 3.16Å; A21-T72 CarbonylContact C-O 3.56Å; A21-T72 VanDerWaalsContact CA-O 3.3Å; A21-T72 WeakPolarHBondContact CA-O 3.28Å; A21-T72 HydrophobicContact CB-CG2 3.97Å; V22-T72 PolarHBondContact N-O 3.28Å; T72-I74 HydrophobicContact CG2-CD1 4.38Å; T72-I74 HydrophobicContact CG2-CG1 4.1Å; T72-I159 HydrophobicContact CG2-CG2 3.75Å
73A98.9Very high98.6Very high0 Ų020.6 Ų20.60%015%0.146CC..EExtended strand (participates in β ladder)trans-111.5113.4-176.100000110.3F24 G63 V66 A67 A71 S109 L110 T111F24-A73 HydrophobicContact CE1-CB 4Å; F24-A73 HydrophobicContact CZ-CB 4.11Å; G63-A73 WeakPolarHBondContact O-CB 3.42Å; V66-A73 HydrophobicContact CB-CB 3.96Å; V66-A73 HydrophobicContact CG1-CB 3.85Å; A67-A73 HydrophobicContact CB-CB 4.36Å; A71-A73 PolarHBondContact O-N 3.39Å; A73-S109 PolarHBondContact N-O 2.83Å; A73-L110 HydrophobicContact CB-CD1 3.99Å; A73-L110 WeakPolarHBondContact O-CA 3.2Å; A73-T111 PolarHBondContact O-N 2.85Å
74I98.9Very high98.6Very high0 Ų023.9 Ų23.90%016%0.16CC..EExtended strand (participates in β ladder)trans-112.292.3-179.9-50.6170.1000108.6L11 A14 V22 I23 F24 T72 T111 R113 I159L11-I74 HydrophobicContact CD2-CD1 4.16Å; L11-I74 HydrophobicContact CD2-CG2 3.79Å; A14-I74 HydrophobicContact CB-CD1 4.35Å; V22-I74 WeakPolarHBondContact O-CB 3.42Å; V22-I74 PolarHBondContact O-N 2.94Å; I23-I74 WeakPolarHBondContact CA-O 3.15Å; I23-I74 HydrophobicContact CG1-CB 4.16Å; I23-I74 HydrophobicContact CG1-CD1 4.22Å; F24-I74 PolarHBondContact N-O 3.08Å; T72-I74 HydrophobicContact CG2-CD1 4.38Å; T72-I74 HydrophobicContact CG2-CG1 4.1Å; I74-T111 CarbonylContact C-O 3.58Å; I74-T111 WeakPolarHBondContact CA-O 3.46Å; I74-R113 HydrophobicContact CG2-CG 4.19Å; I74-I159 HydrophobicContact CD1-CD1 3.88Å; I74-I159 HydrophobicContact CD1-CG1 4.17Å; I74-I159 HydrophobicContact CD1-CG2 4.24Å; I74-I159 HydrophobicContact CG1-CG1 4.32Å
75A98.9Very high98.6Very high0 Ų026.7 Ų26.70%018%0.179CC..EExtended strand (participates in β ladder)trans-84.9135.7-178.700000111.2F24 I59 T111 I112 R113F24-A75 HydrophobicContact CD2-CB 4.38Å; F24-A75 HydrophobicContact CE2-CB 3.59Å; F24-A75 HydrophobicContact CZ-CB 3.85Å; F24-A75 CarbonylContact O-C 3.53Å; F24-A75 WeakPolarHBondContact O-CA 3.22Å; I59-A75 HydrophobicContact CG2-CB 3.95Å; A75-T111 PolarHBondContact N-O 2.82Å; A75-I112 HydrophobicContact CB-CG1 4.39Å; A75-I112 WeakPolarHBondContact O-CA 3.49Å; A75-R113 VanDerWaalsContact O-CG 3.24Å; A75-R113 WeakPolarHBondContact O-CG 3.39Å; A75-R113 PolarHBondContact O-N 2.93Å
76E98.9Very high98.6Very high5 Ų524.8 Ų24.82%0.02316%0.159CC..EExtended strand (participates in β ladder)trans-101.9126.6166.3-173171.5114.200110.2F24 V28 R113F24-E76 PolarHBondContact O-N 3.23Å; V28-E76 HydrophobicContact CG1-CB 3.78Å; V28-E76 HydrophobicContact CG1-CG 4.3Å; E76-R113 WeakPolarHBondContact CA-O 3.36Å; E76-R113 IonicContact OE2-CZ 2.7Å; E76-R113 IonicContact OE2-NH1 3.25Å; E76-R113 PolarHBondContact OE2-NH1 2.94Å; E76-R113 IonicContact OE2-NH2 3.14Å; E76-R113 PolarHBondContact OE2-NH2 2.96Å
77I98.9Very high98.6Very high0 Ų026.7 Ų26.70%017%0.165CC..PPolyproline II helixtrans-101127.3160.7-64-59.5000107.2E56 I59 V60 F79 I83 I112 R113 A114 P115E56-I77 HydrophobicContact CB-CD1 3.76Å; E56-I77 HydrophobicContact CG-CD1 3.88Å; E56-I77 HydrophobicContact CG-CG2 4.44Å; I59-I77 HydrophobicContact CB-CD1 4.27Å; I59-I77 HydrophobicContact CD1-CD1 4.36Å; I59-I77 HydrophobicContact CG2-CD1 4.02Å; V60-I77 HydrophobicContact CG2-CD1 4.21Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 VanDerWaalsContact CG2-O 3.26Å; I77-F79 WeakPolarHBondContact CG2-O 3.39Å; I77-F79 PolarHBondContact O-N 3.4Å; I77-I83 HydrophobicContact CG1-CG1 4.33Å; I77-I83 HydrophobicContact CG2-CB 4.16Å; I77-I83 HydrophobicContact CG2-CG1 4.46Å; I77-I112 HydrophobicContact CG1-CG2 3.9Å; I77-R113 PolarHBondContact N-O 3Å; I77-A114 HydrophobicContact CB-CB 4.14Å; I77-A114 WeakPolarHBondContact O-CA 3.47Å; I77-P115 VanDerWaalsContact O-CD 3.25Å; I77-P115 WeakPolarHBondContact O-CD 3.41Å
78Q98.6Very high98.6Very high33 Ų3330.7 Ų30.715%0.15419%0.186CC..SBendtrans-64.6-30.9-163.6-162.2175.499.600113.5D27 V33 P115D27-Q78 PolarHBondContact OD2-NE2 3.44Å; V33-Q78 HydrophobicContact CG2-CG 3.72Å; Q78-P115 VanDerWaalsContact O-CD 3.29Å; Q78-P115 WeakPolarHBondContact O-CD 3.44Å; Q78-P115 WeakPolarHBondContact O-CG 3.3Å
79F98.8Very high98.6Very high21 Ų2131.1 Ų31.19%0.09219%0.185CC..  trans-144144.6167.2-74.5-97.2000109.2F34 I77 D81 Y82 P115 H126 K171F34-F79 HydrophobicContact CE2-CD1 4.4Å; F34-F79 AromaticContact CE2-CE1 3.65Å; F34-F79 HydrophobicContact CE2-CE1 3.65Å; F34-F79 AromaticContact CE2-CE2 3.97Å; F34-F79 HydrophobicContact CE2-CE2 3.97Å; F34-F79 AromaticContact CE2-CZ 3.4Å; F34-F79 HydrophobicContact CE2-CZ 3.4Å; F34-F79 AromaticContact CZ-CE1 3.47Å; F34-F79 HydrophobicContact CZ-CE1 3.47Å; F34-F79 VanDerWaalsContact CZ-CE1 3.47Å; F34-F79 HydrophobicContact CZ-CE2 4.34Å; F34-F79 AromaticContact CZ-CZ 3.35Å; F34-F79 HydrophobicContact CZ-CZ 3.35Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 VanDerWaalsContact CG2-O 3.26Å; I77-F79 WeakPolarHBondContact CG2-O 3.39Å; I77-F79 PolarHBondContact O-N 3.4Å; F79-D81 HydrophobicContact CB-CB 4.23Å; F79-D81 PolarHBondContact O-N 2.78Å; F79-D81 VanDerWaalsContact O-N 3.09Å; F79-Y82 HydrophobicContact CB-CD2 3.69Å; F79-Y82 HydrophobicContact CB-CE2 3.84Å; F79-Y82 HydrophobicContact CB-CG 4.26Å; F79-Y82 AromaticContact CD2-CD2 4Å; F79-Y82 HydrophobicContact CD2-CD2 4Å; F79-Y82 AromaticContact CD2-CE2 3.55Å; F79-Y82 HydrophobicContact CD2-CE2 3.55Å; F79-Y82 HydrophobicContact CE2-CE2 4.48Å; F79-Y82 HydrophobicContact CG-CD2 4.28Å; F79-Y82 AromaticContact CG-CE2 3.99Å; F79-Y82 HydrophobicContact CG-CE2 3.99Å; F79-Y82 WeakPolarHBondContact O-CA 3.42Å; F79-Y82 PolarHBondContact O-N 3.45Å; F79-P115 HydrophobicContact CD1-CB 4.47Å; F79-H126 HydrophobicContact CD1-CB 4.12Å; F79-H126 AromaticContact CD1-CD2 3.63Å; F79-H126 AromaticContact CD2-CD2 3.89Å; F79-H126 HydrophobicContact CE1-CB 3.99Å; F79-H126 AromaticContact CE1-CD2 3.41Å; F79-H126 VanDerWaalsContact CE1-CD2 3.41Å; F79-H126 WeakPolarHBondContact CE1-CD2 3.48Å; F79-H126 AromaticContact CE2-CD2 3.69Å; F79-H126 AromaticContact CG-CD2 3.88Å; F79-H126 AromaticContact CZ-CD2 3.44Å; F79-H126 VanDerWaalsContact CZ-CD2 3.44Å; F79-H126 WeakPolarHBondContact CZ-CD2 3.43Å; F79-K171 HydrophobicContact CD1-CD 4.29Å; F79-K171 HydrophobicContact CE1-CD 4.03Å
80A98.8Very high98.7Very high0 Ų026.9 Ų26.90%015%0.15CC..G310 helixtrans-56.5-27.8174.700000112Y82 I83 A114 P115 W116 P130 F168A80-Y82 PolarHBondContact O-N 3.46Å; A80-I83 WeakPolarHBondContact O-CB 3.49Å; A80-I83 WeakPolarHBondContact O-CG2 3.45Å; A80-I83 PolarHBondContact O-N 2.68Å; A80-A114 HydrophobicContact CB-CB 4.22Å; A80-P115 WeakPolarHBondContact CB-O 3.34Å; A80-P115 PolarHBondContact N-O 3.43Å; A80-W116 HydrophobicContact CB-CB 4.31Å; A80-P130 HydrophobicContact CB-CG 3.93Å; A80-F168 HydrophobicContact CB-CD1 3.88Å; A80-F168 HydrophobicContact CB-CE1 3.64Å
81D98.7Very high98.9Very high7 Ų725.3 Ų25.34%0.03713%0.129CC..G310 helixtrans-58-27.8172-51.4-109.6000113.4F79 F84 Y125 H126 S127 Q128 K171F79-D81 HydrophobicContact CB-CB 4.23Å; F79-D81 PolarHBondContact O-N 2.78Å; F79-D81 VanDerWaalsContact O-N 3.09Å; D81-F84 VanDerWaalsContact O-CD2 3.31Å; D81-F84 WeakPolarHBondContact O-CD2 3.41Å; D81-Y125 WeakPolarHBondContact CB-O 2.96Å; D81-Y125 VanDerWaalsContact OD1-CA 3.31Å; D81-Y125 WeakPolarHBondContact OD1-CA 3.37Å; D81-H126 PolarHBondContact OD1-N 2.76Å; D81-H126 VanDerWaalsContact OD1-N 3.08Å; D81-S127 PolarHBondContact OD1-N 2.83Å; D81-Q128 HydrophobicContact CB-CB 4.43Å; D81-Q128 VanDerWaalsContact OD1-CB 3.23Å; D81-Q128 WeakPolarHBondContact OD1-CB 3.34Å; D81-Q128 WeakPolarHBondContact OD1-CG 3.47Å; D81-Q128 PolarHBondContact OD1-N 2.91Å; D81-K171 IonicContact OD2-NZ 3.65Å
82Y98.7Very high98.9Very high66 Ų6627.7 Ų27.726%0.25914%0.138SC..G310 helixtrans-100.710.1-178.3-51.5-35000113E56 F79 A80 F84 P85 Y125 H126E56-Y82 WeakPolarHBondContact CG-O 3.37Å; F79-Y82 HydrophobicContact CB-CD2 3.69Å; F79-Y82 HydrophobicContact CB-CE2 3.84Å; F79-Y82 HydrophobicContact CB-CG 4.26Å; F79-Y82 AromaticContact CD2-CD2 4Å; F79-Y82 HydrophobicContact CD2-CD2 4Å; F79-Y82 AromaticContact CD2-CE2 3.55Å; F79-Y82 HydrophobicContact CD2-CE2 3.55Å; F79-Y82 HydrophobicContact CE2-CE2 4.48Å; F79-Y82 HydrophobicContact CG-CD2 4.28Å; F79-Y82 AromaticContact CG-CE2 3.99Å; F79-Y82 HydrophobicContact CG-CE2 3.99Å; F79-Y82 WeakPolarHBondContact O-CA 3.42Å; F79-Y82 PolarHBondContact O-N 3.45Å; A80-Y82 PolarHBondContact O-N 3.46Å; Y82-F84 VanDerWaalsContact C-N 3.29Å; Y82-F84 PolarHBondContact O-N 3.02Å; Y82-P85 WeakPolarHBondContact O-CD 3.46Å; Y82-Y125 PolarHBondContact OH-O 3.39Å; Y82-H126 AromaticContact CZ-NE2 3.99Å; Y82-H126 PolarHBondContact OH-CE1 3.35Å; Y82-H126 PolarHBondContact OH-NE2 3.01Å
83I98.8Very high98.9Very high0 Ų029.5 Ų29.50%015%0.146CC..  trans-75.5-19.4179.7-158.1164.8000113I77 A80 P85 A86 F87 I90 I112 P130 F134 I166 F168I77-I83 HydrophobicContact CG1-CG1 4.33Å; I77-I83 HydrophobicContact CG2-CB 4.16Å; I77-I83 HydrophobicContact CG2-CG1 4.46Å; A80-I83 WeakPolarHBondContact O-CB 3.49Å; A80-I83 WeakPolarHBondContact O-CG2 3.45Å; A80-I83 PolarHBondContact O-N 2.68Å; I83-P85 VanDerWaalsContact C-CD 3.5Å; I83-A86 WeakPolarHBondContact O-CA 3.26Å; I83-A86 WeakPolarHBondContact O-CB 3.44Å; I83-A86 PolarHBondContact O-N 3.23Å; I83-F87 PolarHBondContact O-N 2.93Å; I83-I90 HydrophobicContact CD1-CD1 3.9Å; I83-I90 HydrophobicContact CG1-CD1 3.7Å; I83-I112 HydrophobicContact CD1-CG2 4.36Å; I83-P130 HydrophobicContact CG2-CG 4.46Å; I83-F134 HydrophobicContact CD1-CE2 4.11Å; I83-F134 HydrophobicContact CD1-CZ 3.92Å; I83-F134 HydrophobicContact CG1-CZ 4.05Å; I83-F134 HydrophobicContact CG2-CE2 3.75Å; I83-F134 HydrophobicContact CG2-CZ 3.68Å; I83-I166 HydrophobicContact CD1-CG2 4.35Å; I83-F168 HydrophobicContact CD1-CE1 4.26Å; I83-F168 HydrophobicContact CD1-CZ 4.39Å
84F98.8Very high98.9Very high68 Ų6829.7 Ų29.730%0.29815%0.147SC..G310 helixtrans-66.2-32.8-171.4-59.1-67000116.2D81 Y82 A86 F87 P130 F133D81-F84 VanDerWaalsContact O-CD2 3.31Å; D81-F84 WeakPolarHBondContact O-CD2 3.41Å; Y82-F84 VanDerWaalsContact C-N 3.29Å; Y82-F84 PolarHBondContact O-N 3.02Å; F84-A86 PolarHBondContact O-N 2.83Å; F84-F87 HydrophobicContact CD1-CD2 4.46Å; F84-F87 WeakPolarHBondContact O-CB 3.33Å; F84-F87 PolarHBondContact O-N 3.36Å; F84-P130 HydrophobicContact CE1-CB 4.15Å; F84-P130 HydrophobicContact CZ-CB 3.77Å; F84-F133 AromaticContact CE1-CD2 3.74Å; F84-F133 HydrophobicContact CE1-CD2 3.74Å; F84-F133 HydrophobicContact CE1-CE2 4.04Å; F84-F133 HydrophobicContact CE1-CG 4.24Å; F84-F133 HydrophobicContact CZ-CD2 4.01Å; F84-F133 AromaticContact CZ-CE2 3.98Å; F84-F133 HydrophobicContact CZ-CE2 3.98Å
85P98.9Very high98.9Very high64 Ų6430 Ų3042%0.41615%0.15SC..G310 helixtrans-56.1-31.3168.8-22.533.9000112.1E56 Q57 Y82 I83E56-P85 HydrophobicContact CB-CB 4.26Å; E56-P85 HydrophobicContact CB-CG 4.5Å; Q57-P85 WeakPolarHBondContact CB-O 3.31Å; Y82-P85 WeakPolarHBondContact O-CD 3.46Å; I83-P85 VanDerWaalsContact C-CD 3.5Å
86A98.9Very high98.9Very high0 Ų033.9 Ų33.90%017%0.167CC..G310 helixtrans-86.21176.100000114.5E56 V60 I83 F84 D88 Q89 I90E56-A86 HydrophobicContact CB-CB 4.41Å; V60-A86 HydrophobicContact CB-CB 3.89Å; V60-A86 HydrophobicContact CG2-CB 3.47Å; V60-A86 VanDerWaalsContact CG2-CB 3.47Å; I83-A86 WeakPolarHBondContact O-CA 3.26Å; I83-A86 WeakPolarHBondContact O-CB 3.44Å; I83-A86 PolarHBondContact O-N 3.23Å; F84-A86 PolarHBondContact O-N 2.83Å; A86-D88 VanDerWaalsContact C-N 3.27Å; A86-D88 PolarHBondContact O-N 2.95Å; A86-Q89 PolarHBondContact O-N 2.84Å; A86-Q89 VanDerWaalsContact O-N 3.09Å; A86-I90 HydrophobicContact CB-CD1 4.27Å; A86-I90 WeakPolarHBondContact O-CG1 3.43Å; A86-I90 PolarHBondContact O-N 3.28Å
87F98.9Very high98.8Very high67 Ų6735.9 Ų35.929%0.29418%0.175SC..Hα-helixtrans-57.1-40.3-173.6-166.5-100.9000112.5I83 F84 I90 V91 F133 F134I83-F87 PolarHBondContact O-N 2.93Å; F84-F87 HydrophobicContact CD1-CD2 4.46Å; F84-F87 WeakPolarHBondContact O-CB 3.33Å; F84-F87 PolarHBondContact O-N 3.36Å; F87-I90 PolarHBondContact O-N 2.93Å; F87-V91 HydrophobicContact CD1-CB 4.48Å; F87-V91 HydrophobicContact CD1-CG2 3.97Å; F87-V91 HydrophobicContact CD2-CG2 4.18Å; F87-V91 HydrophobicContact CE1-CB 4.34Å; F87-V91 HydrophobicContact CE1-CG2 3.66Å; F87-V91 HydrophobicContact CE2-CG2 3.88Å; F87-V91 HydrophobicContact CG-CG2 4.23Å; F87-V91 HydrophobicContact CZ-CG2 3.62Å; F87-V91 VanDerWaalsContact O-CB 3.3Å; F87-V91 WeakPolarHBondContact O-CB 3.38Å; F87-V91 WeakPolarHBondContact O-CG2 3.35Å; F87-V91 PolarHBondContact O-N 3.19Å; F87-F133 HydrophobicContact CE2-CB 3.99Å; F87-F133 HydrophobicContact CZ-CB 4.47Å; F87-F134 HydrophobicContact CD2-CD1 4.19Å; F87-F134 AromaticContact CD2-CE1 3.44Å; F87-F134 HydrophobicContact CD2-CE1 3.44Å; F87-F134 VanDerWaalsContact CD2-CE1 3.44Å; F87-F134 AromaticContact CD2-CZ 3.75Å; F87-F134 HydrophobicContact CD2-CZ 3.75Å; F87-F134 AromaticContact CE2-CD1 3.88Å; F87-F134 HydrophobicContact CE2-CD1 3.88Å; F87-F134 AromaticContact CE2-CE1 3.6Å; F87-F134 HydrophobicContact CE2-CE1 3.6Å; F87-F134 HydrophobicContact CE2-CZ 4.08Å
88D98.9Very high98.8Very high86 Ų8639.2 Ų39.246%0.4619%0.187SC..Hα-helixtrans-63.3-45.9176.6-179.267.8000112.3A86 I90 V91 N92 E93A86-D88 VanDerWaalsContact C-N 3.27Å; A86-D88 PolarHBondContact O-N 2.95Å; D88-I90 VanDerWaalsContact C-N 3.28Å; D88-I90 PolarHBondContact O-N 2.87Å; D88-V91 PolarHBondContact O-N 2.82Å; D88-N92 WeakPolarHBondContact O-CB 3.34Å; D88-N92 PolarHBondContact O-N 3.23Å; D88-N92 PolarHBondContact OD1-ND2 3.19Å; D88-E93 PolarHBondContact O-N 3.02Å
89Q98.9Very high98.9Very high53 Ų5347.7 Ų47.725%0.24822%0.219CC..Iπ-helixtrans-62.8-35.4175.8-70.1-66.6-39.500111.9V60 I64 A86 E93 A94V60-Q89 HydrophobicContact CB-CB 4.17Å; V60-Q89 HydrophobicContact CG1-CB 3.82Å; I64-Q89 HydrophobicContact CD1-CB 4.18Å; I64-Q89 WeakPolarHBondContact CD1-O 3.47Å; A86-Q89 PolarHBondContact O-N 2.84Å; A86-Q89 VanDerWaalsContact O-N 3.09Å; Q89-E93 VanDerWaalsContact O-CB 3.31Å; Q89-E93 WeakPolarHBondContact O-CB 3.48Å; Q89-A94 PolarHBondContact O-N 2.92Å
90I98.9Very high98.9Very high1 Ų152.4 Ų52.41%0.00524%0.237CC..Iπ-helixtrans-71.5-51.3177.1-64.9170.1000110.5V60 I83 A86 F87 D88 A95 I112 F134 I140 I166V60-I90 HydrophobicContact CG1-CG1 3.91Å; V60-I90 HydrophobicContact CG2-CG1 4.48Å; I83-I90 HydrophobicContact CD1-CD1 3.9Å; I83-I90 HydrophobicContact CG1-CD1 3.7Å; A86-I90 HydrophobicContact CB-CD1 4.27Å; A86-I90 WeakPolarHBondContact O-CG1 3.43Å; A86-I90 PolarHBondContact O-N 3.28Å; F87-I90 PolarHBondContact O-N 2.93Å; D88-I90 VanDerWaalsContact C-N 3.28Å; D88-I90 PolarHBondContact O-N 2.87Å; I90-A95 WeakPolarHBondContact O-CB 3.3Å; I90-A95 PolarHBondContact O-N 3.34Å; I90-I112 HydrophobicContact CD1-CD1 4.03Å; I90-I112 HydrophobicContact CG1-CD1 3.79Å; I90-F134 HydrophobicContact CB-CE1 4.14Å; I90-F134 HydrophobicContact CD1-CE1 3.76Å; I90-F134 HydrophobicContact CD1-CZ 4Å; I90-F134 HydrophobicContact CG2-CD1 3.83Å; I90-F134 HydrophobicContact CG2-CE1 3.69Å; I90-I140 HydrophobicContact CG2-CD1 4.08Å; I90-I140 HydrophobicContact CG2-CG2 4.36Å; I90-I166 HydrophobicContact CG2-CD1 3.92Å
91V98.9Very high98.9Very high24 Ų2453.6 Ų53.615%0.14525%0.245CC..Iπ-helixtrans-83.1-46-167.4170.30000112.4F87 D88 K96 C137F87-V91 HydrophobicContact CD1-CB 4.48Å; F87-V91 HydrophobicContact CD1-CG2 3.97Å; F87-V91 HydrophobicContact CD2-CG2 4.18Å; F87-V91 HydrophobicContact CE1-CB 4.34Å; F87-V91 HydrophobicContact CE1-CG2 3.66Å; F87-V91 HydrophobicContact CE2-CG2 3.88Å; F87-V91 HydrophobicContact CG-CG2 4.23Å; F87-V91 HydrophobicContact CZ-CG2 3.62Å; F87-V91 VanDerWaalsContact O-CB 3.3Å; F87-V91 WeakPolarHBondContact O-CB 3.38Å; F87-V91 WeakPolarHBondContact O-CG2 3.35Å; F87-V91 PolarHBondContact O-N 3.19Å; D88-V91 PolarHBondContact O-N 2.82Å; V91-K96 PolarHBondContact O-NZ 3.47Å; V91-C137 HydrophobicContact CG1-CB 4.44Å; V91-C137 HydrophobicContact CG2-CB 4.17Å
92N98.9Very high98.8Very high73 Ų7356.4 Ų56.439%0.3928%0.275SS..Iπ-helixtrans-88.4-33.2-176.8-74.3-32.4000113D88 K96D88-N92 WeakPolarHBondContact O-CB 3.34Å; D88-N92 PolarHBondContact O-N 3.23Å; D88-N92 PolarHBondContact OD1-ND2 3.19Å; N92-K96 WeakPolarHBondContact O-CB 3.22Å; N92-K96 PolarHBondContact OD1-NZ 3.19Å; N92-K96 VanDerWaalsContact OD1-NZ 3.14Å
93E98.9Very high98.8Very high52 Ų5257.8 Ų57.824%0.24329%0.287CS..Iπ-helixtrans-95.7-71.2-178.7-59.4-64.9114.700111.8I64 D88 Q89 A95 K96 Y97 R100I64-E93 HydrophobicContact CD1-CB 3.95Å; D88-E93 PolarHBondContact O-N 3.02Å; Q89-E93 VanDerWaalsContact O-CB 3.31Å; Q89-E93 WeakPolarHBondContact O-CB 3.48Å; E93-A95 PolarHBondContact O-N 2.99Å; E93-K96 PolarHBondContact O-N 3.13Å; E93-Y97 HydrophobicContact CB-CD2 4.47Å; E93-Y97 WeakPolarHBondContact O-CA 3.45Å; E93-Y97 WeakPolarHBondContact O-CB 3.37Å; E93-Y97 WeakPolarHBondContact O-CD2 3.42Å; E93-Y97 PolarHBondContact O-N 2.86Å; E93-R100 IonicContact OE1-CZ 3.84Å; E93-R100 IonicContact OE1-NH1 2.79Å; E93-R100 PolarHBondContact OE1-NH1 2.69Å; E93-R100 IonicContact OE2-CZ 3.24Å; E93-R100 VanDerWaalsContact OE2-CZ 3.24Å; E93-R100 IonicContact OE2-NH1 2.91Å; E93-R100 PolarHBondContact OE2-NH1 2.91Å; E93-R100 IonicContact OE2-NH2 2.69Å; E93-R100 PolarHBondContact OE2-NH2 2.79Å
94A98.9Very high98.8Very high3 Ų364.6 Ų64.63%0.02532%0.322CS..Iπ-helixtrans-57.7-52.6-171.100000112.5I64 Q89 K96 Y97 C107 L110 P164I64-A94 HydrophobicContact CD1-CB 3.84Å; I64-A94 HydrophobicContact CG1-CB 4.06Å; Q89-A94 PolarHBondContact O-N 2.92Å; A94-K96 PolarHBondContact O-N 3.24Å; A94-Y97 PolarHBondContact O-N 3.18Å; A94-C107 PolarHBondContact O-SG 3.36Å; A94-C107 VanDerWaalsContact O-SG 3.36Å; A94-L110 HydrophobicContact CB-CD2 4.36Å; A94-P164 HydrophobicContact CB-CB 4.15Å; A94-P164 HydrophobicContact CB-CG 4.32Å
95A98.9Very high98.8Very high8 Ų867.1 Ų67.17%0.06633%0.334CS..THydrogen-bonded Turntrans-61-34.2-177.200000113.1I90 E93 C137 P138 G139 I140I90-A95 WeakPolarHBondContact O-CB 3.3Å; I90-A95 PolarHBondContact O-N 3.34Å; E93-A95 PolarHBondContact O-N 2.99Å; A95-C137 WeakPolarHBondContact CB-SG 3.49Å; A95-P138 WeakPolarHBondContact CB-O 3.47Å; A95-G139 WeakPolarHBondContact O-CA 3.1Å; A95-I140 HydrophobicContact CB-CG2 3.75Å
96K98.9Very high98.8Very high80 Ų8066.7 Ų66.735%0.34833%0.328SS..THydrogen-bonded Turntrans-97.4-6-174.8-57-176.6176.579.90113V91 N92 E93 A94 R98 Y99 R100V91-K96 PolarHBondContact O-NZ 3.47Å; N92-K96 WeakPolarHBondContact O-CB 3.22Å; N92-K96 PolarHBondContact OD1-NZ 3.19Å; N92-K96 VanDerWaalsContact OD1-NZ 3.14Å; E93-K96 PolarHBondContact O-N 3.13Å; A94-K96 PolarHBondContact O-N 3.24Å; K96-R98 PolarHBondContact O-N 3.2Å; K96-Y99 PolarHBondContact O-N 2.65Å; K96-R100 WeakPolarHBondContact O-CB 3.33Å; K96-R100 VanDerWaalsContact O-CG 3.29Å; K96-R100 WeakPolarHBondContact O-CG 3.41Å; K96-R100 PolarHBondContact O-N 3Å
97Y98.9Very high98.8Very high47 Ų4766.8 Ų66.818%0.18433%0.329CS..Hα-helixtrans-58.1-45.4-168.4-136.1-78.5000113.1I64 V68 E93 A94 R100 S101 F105I64-Y97 HydrophobicContact CG2-CD2 3.7Å; I64-Y97 HydrophobicContact CG2-CE2 3.34Å; V68-Y97 HydrophobicContact CG1-CE1 4.35Å; V68-Y97 HydrophobicContact CG2-CD1 3.92Å; V68-Y97 HydrophobicContact CG2-CE1 3.34Å; V68-Y97 HydrophobicContact CG2-CE2 4.3Å; E93-Y97 HydrophobicContact CB-CD2 4.47Å; E93-Y97 WeakPolarHBondContact O-CA 3.45Å; E93-Y97 WeakPolarHBondContact O-CB 3.37Å; E93-Y97 WeakPolarHBondContact O-CD2 3.42Å; E93-Y97 PolarHBondContact O-N 2.86Å; A94-Y97 PolarHBondContact O-N 3.18Å; Y97-R100 VanDerWaalsContact CD2-NH2 3.33Å; Y97-S101 PolarHBondContact O-OG 3.24Å; Y97-F105 HydrophobicContact CD1-CB 4.32Å; Y97-F105 HydrophobicContact CE1-CB 4.19Å
98R98.9Very high98.8Very high71 Ų7163.7 Ų63.727%0.26832%0.315SS..Hα-helixtrans-69.3-46177.2-169.5-176.7-62.1-73.8-2.8111.8K96 S101 G102 D103 F105 N106 K162K96-R98 PolarHBondContact O-N 3.2Å; R98-S101 PolarHBondContact O-OG 3.08Å; R98-S101 VanDerWaalsContact O-OG 3.08Å; R98-G102 PolarHBondContact O-N 3.41Å; R98-D103 WeakPolarHBondContact CD-OD1 3.45Å; R98-D103 HydrophobicContact CG-CB 4.43Å; R98-D103 WeakPolarHBondContact CG-OD1 3.44Å; R98-D103 IonicContact CZ-OD1 3.81Å; R98-D103 IonicContact NE-OD1 3.78Å; R98-D103 IonicContact NH1-OD1 3.8Å; R98-D103 PolarHBondContact NH1-OD1 3.49Å; R98-D103 PolarHBondContact O-N 2.98Å; R98-F105 WeakPolarHBondContact CA-O 3.49Å; R98-N106 HydrophobicContact CB-CB 4.08Å; R98-N106 HydrophobicContact CG-CB 4.16Å; R98-N106 VanDerWaalsContact NH1-CB 3.33Å; R98-N106 PolarHBondContact NH1-ND2 3.31Å; R98-N106 PolarHBondContact NH2-OD1 3.45Å; R98-K162 PolarHBondContact NH2-O 2.8Å
99Y98.8Very high98.8Very high211 Ų21160.3 Ų60.383%0.82730%0.299SS*.Hα-helixtrans-65.5-49-175.6-174.6-93.6000111.9K96 S101 G102K96-Y99 PolarHBondContact O-N 2.65Å; Y99-S101 PolarHBondContact O-N 3.3Å; Y99-G102 PolarHBondContact O-N 3.24Å
100R98.8Very high98.8Very high120 Ų12057.9 Ų57.945%0.45329%0.287SS..Hα-helixtrans-66.5-20-176.377.3-174179.9177.4-0.9113.8E93 K96 Y97E93-R100 IonicContact OE1-CZ 3.84Å; E93-R100 IonicContact OE1-NH1 2.79Å; E93-R100 PolarHBondContact OE1-NH1 2.69Å; E93-R100 IonicContact OE2-CZ 3.24Å; E93-R100 VanDerWaalsContact OE2-CZ 3.24Å; E93-R100 IonicContact OE2-NH1 2.91Å; E93-R100 PolarHBondContact OE2-NH1 2.91Å; E93-R100 IonicContact OE2-NH2 2.69Å; E93-R100 PolarHBondContact OE2-NH2 2.79Å; K96-R100 WeakPolarHBondContact O-CB 3.33Å; K96-R100 VanDerWaalsContact O-CG 3.29Å; K96-R100 WeakPolarHBondContact O-CG 3.41Å; K96-R100 PolarHBondContact O-N 3Å; Y97-R100 VanDerWaalsContact CD2-NH2 3.33Å
101S98.8Very high98.8Very high25 Ų2557.9 Ų57.918%0.17529%0.287CS..THydrogen-bonded Turntrans-96.6-5.1-179.172.60000113.3Y97 R98 Y99 D103 L104 F105Y97-S101 PolarHBondContact O-OG 3.24Å; R98-S101 PolarHBondContact O-OG 3.08Å; R98-S101 VanDerWaalsContact O-OG 3.08Å; Y99-S101 PolarHBondContact O-N 3.3Å; S101-D103 PolarHBondContact O-N 2.91Å; S101-D103 PolarHBondContact OG-N 2.98Å; S101-L104 WeakPolarHBondContact O-CB 3.46Å; S101-L104 VanDerWaalsContact O-CG 3.27Å; S101-L104 WeakPolarHBondContact O-CG 3.33Å; S101-L104 PolarHBondContact O-N 3.3Å; S101-L104 PolarHBondContact OG-N 2.81Å; S101-F105 PolarHBondContact OG-N 2.89Å; S101-F105 VanDerWaalsContact OG-N 3.12Å; S101-F105 PolarHBondContact OG-O 2.82Å
102G98.4Very high98.8Very high65 Ų6556.9 Ų56.967%0.6728%0.281SS*.THydrogen-bonded Turntrans60.636.1-169.700000112.3R98 Y99 L104R98-G102 PolarHBondContact O-N 3.41Å; Y99-G102 PolarHBondContact O-N 3.24Å; G102-L104 PolarHBondContact O-N 2.6Å
103D98.6Very high98.8Very high95 Ų9553.4 Ų53.451%0.50826%0.262SS..THydrogen-bonded Turntrans67.47.8-175.6-154.341.6000116.3R98 S101 F105R98-D103 WeakPolarHBondContact CD-OD1 3.45Å; R98-D103 HydrophobicContact CG-CB 4.43Å; R98-D103 WeakPolarHBondContact CG-OD1 3.44Å; R98-D103 IonicContact CZ-OD1 3.81Å; R98-D103 IonicContact NE-OD1 3.78Å; R98-D103 IonicContact NH1-OD1 3.8Å; R98-D103 PolarHBondContact NH1-OD1 3.49Å; R98-D103 PolarHBondContact O-N 2.98Å; S101-D103 PolarHBondContact O-N 2.91Å; S101-D103 PolarHBondContact OG-N 2.98Å; D103-F105 PolarHBondContact O-N 3.12Å
104L98.6Very high98.8Very high143 Ų14350.9 Ų50.975%0.74925%0.251SS*.SBendtrans-63.6-31.1172.9-66.2176000112.5S101 G102S101-L104 WeakPolarHBondContact O-CB 3.46Å; S101-L104 VanDerWaalsContact O-CG 3.27Å; S101-L104 WeakPolarHBondContact O-CG 3.33Å; S101-L104 PolarHBondContact O-N 3.3Å; S101-L104 PolarHBondContact OG-N 2.81Å; G102-L104 PolarHBondContact O-N 2.6Å
105F98.8Very high98.8Very high122 Ų12250.8 Ų50.854%0.53525%0.25SC..SBendtrans-139.2147.2176.2-60.5-79.7000110.4V68 Y97 R98 S101 D103V68-F105 HydrophobicContact CG1-CD1 4.32Å; Y97-F105 HydrophobicContact CD1-CB 4.32Å; Y97-F105 HydrophobicContact CE1-CB 4.19Å; R98-F105 WeakPolarHBondContact CA-O 3.49Å; S101-F105 PolarHBondContact OG-N 2.89Å; S101-F105 VanDerWaalsContact OG-N 3.12Å; S101-F105 PolarHBondContact OG-O 2.82Å; D103-F105 PolarHBondContact O-N 3.12Å
106N98.8Very high98.8Very high54 Ų5450.5 Ų50.529%0.28925%0.247SC..  trans-150.4158.5174.670.293.3000111.4V68 R98 G108V68-N106 WeakPolarHBondContact CA-O 3.29Å; R98-N106 HydrophobicContact CB-CB 4.08Å; R98-N106 HydrophobicContact CG-CB 4.16Å; R98-N106 VanDerWaalsContact NH1-CB 3.33Å; R98-N106 PolarHBondContact NH1-ND2 3.31Å; R98-N106 PolarHBondContact NH2-OD1 3.45Å; N106-G108 PolarHBondContact OD1-N 2.83Å; N106-G108 VanDerWaalsContact OD1-N 3.09Å
107C98.8Very high98.8Very high3 Ų346.7 Ų46.72%0.0223%0.231CC..  trans-113.139.8171.962.60000110.6I64 A67 V68 A94 S109 L110I64-C107 HydrophobicContact CG2-CB 4.12Å; A67-C107 HydrophobicContact CB-CB 3.89Å; V68-C107 HydrophobicContact CG2-CB 4.17Å; A94-C107 PolarHBondContact O-SG 3.36Å; A94-C107 VanDerWaalsContact O-SG 3.36Å; C107-S109 PolarHBondContact O-N 3.39Å; C107-L110 WeakPolarHBondContact O-CB 3.41Å; C107-L110 PolarHBondContact O-N 2.91Å
108G98.6Very high98.8Very high1 Ų145 Ų451%0.0123%0.226CC..THydrogen-bonded Turntrans-65.1-24.8-172.600000114N106 L110 K162 N163N106-G108 PolarHBondContact OD1-N 2.83Å; N106-G108 VanDerWaalsContact OD1-N 3.09Å; G108-L110 PolarHBondContact O-N 3.18Å; G108-K162 VanDerWaalsContact CA-C 3.49Å; G108-K162 WeakPolarHBondContact CA-O 3.27Å; G108-K162 CarbonylContact O-C 3.58Å; G108-N163 CarbonylContact O-C 3.55Å; G108-N163 PolarHBondContact O-N 3.26Å
109S98.8Very high98.7Very high16 Ų1643.4 Ų43.411%0.11222%0.224CC..THydrogen-bonded Turntrans-86.717.6178.658.10000113.7A67 A71 A73 C107A67-S109 WeakPolarHBondContact CA-OG 3.24Å; A67-S109 WeakPolarHBondContact CB-OG 3.5Å; A67-S109 PolarHBondContact O-OG 3.42Å; A71-S109 WeakPolarHBondContact O-CB 3.42Å; A71-S109 PolarHBondContact O-OG 2.82Å; A73-S109 PolarHBondContact N-O 2.83Å; C107-S109 PolarHBondContact O-N 3.39Å
110L98.9Very high98.7Very high1 Ų135.6 Ų35.61%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-92.9125.2174.8176.562.3000110.8I64 A67 A73 A94 C107 G108 I112 P164 C165I64-L110 HydrophobicContact CG1-CD2 3.65Å; A67-L110 HydrophobicContact CB-CB 3.99Å; A73-L110 HydrophobicContact CB-CD1 3.99Å; A73-L110 WeakPolarHBondContact O-CA 3.2Å; A94-L110 HydrophobicContact CB-CD2 4.36Å; C107-L110 WeakPolarHBondContact O-CB 3.41Å; C107-L110 PolarHBondContact O-N 2.91Å; G108-L110 PolarHBondContact O-N 3.18Å; L110-I112 HydrophobicContact CD1-CG1 4.2Å; L110-I112 HydrophobicContact CD2-CD1 4.31Å; L110-I112 HydrophobicContact CD2-CG1 4.34Å; L110-I112 HydrophobicContact CG-CG1 4.17Å; L110-P164 HydrophobicContact CB-CB 4.46Å; L110-P164 HydrophobicContact CD2-CB 4.46Å; L110-P164 WeakPolarHBondContact O-CA 3.35Å; L110-C165 PolarHBondContact O-N 2.98Å
111T99Very high98.7Very high1 Ų136 Ų361%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-121.1125.4163.8-68.80000109.5A73 I74 A75 L155 C158 I159 C165 F167A73-T111 PolarHBondContact O-N 2.85Å; I74-T111 CarbonylContact C-O 3.58Å; I74-T111 WeakPolarHBondContact CA-O 3.46Å; A75-T111 PolarHBondContact N-O 2.82Å; T111-L155 HydrophobicContact CG2-CD1 4.07Å; T111-C158 HydrophobicContact CG2-CB 4.11Å; T111-C158 VanDerWaalsContact OG1-C 3.28Å; T111-C158 PolarHBondContact OG1-O 3.34Å; T111-C158 VanDerWaalsContact OG1-O 3.13Å; T111-I159 HydrophobicContact CG2-CG1 4.36Å; T111-I159 WeakPolarHBondContact OG1-CA 3.24Å; T111-I159 PolarHBondContact OG1-N 2.75Å; T111-C165 CarbonylContact C-O 3.56Å; T111-C165 WeakPolarHBondContact CA-O 3.45Å; T111-F167 HydrophobicContact CG2-CB 4.4Å
112I99Very high98.6Very high3 Ų335 Ų352%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-103120.5172.6-56.6167.4000107.1V60 A75 I77 I83 I90 L110 C165 I166 F167V60-I112 HydrophobicContact CB-CD1 4.5Å; V60-I112 HydrophobicContact CG1-CD1 3.76Å; V60-I112 HydrophobicContact CG2-CD1 3.91Å; V60-I112 HydrophobicContact CG2-CG1 4.43Å; A75-I112 HydrophobicContact CB-CG1 4.39Å; A75-I112 WeakPolarHBondContact O-CA 3.49Å; I77-I112 HydrophobicContact CG1-CG2 3.9Å; I83-I112 HydrophobicContact CD1-CG2 4.36Å; I90-I112 HydrophobicContact CD1-CD1 4.03Å; I90-I112 HydrophobicContact CG1-CD1 3.79Å; L110-I112 HydrophobicContact CD1-CG1 4.2Å; L110-I112 HydrophobicContact CD2-CD1 4.31Å; L110-I112 HydrophobicContact CD2-CG1 4.34Å; L110-I112 HydrophobicContact CG-CG1 4.17Å; I112-C165 PolarHBondContact N-O 2.72Å; I112-I166 CarbonylContact O-C 3.57Å; I112-I166 WeakPolarHBondContact O-CA 3.27Å; I112-F167 PolarHBondContact O-N 2.91Å
113R98.9Very high98.6Very high0 Ų032.9 Ų32.90%018%0.184CC..EExtended strand (participates in β ladder)trans-115139.6177.940.7178.8-64.8-74.2-15.9111.3I74 A75 E76 I77 F167 E169I74-R113 HydrophobicContact CG2-CG 4.19Å; A75-R113 VanDerWaalsContact O-CG 3.24Å; A75-R113 WeakPolarHBondContact O-CG 3.39Å; A75-R113 PolarHBondContact O-N 2.93Å; E76-R113 WeakPolarHBondContact CA-O 3.36Å; E76-R113 IonicContact OE2-CZ 2.7Å; E76-R113 IonicContact OE2-NH1 3.25Å; E76-R113 PolarHBondContact OE2-NH1 2.94Å; E76-R113 IonicContact OE2-NH2 3.14Å; E76-R113 PolarHBondContact OE2-NH2 2.96Å; I77-R113 PolarHBondContact N-O 3Å; R113-F167 VanDerWaalsContact CA-O 3.25Å; R113-F167 WeakPolarHBondContact CA-O 3.4Å; R113-F167 HydrophobicContact CB-CB 4.3Å; R113-F167 HydrophobicContact CB-CD1 4.46Å; R113-E169 IonicContact CZ-OE1 3.2Å; R113-E169 IonicContact NE-OE1 3.35Å; R113-E169 PolarHBondContact NE-OE1 2.94Å; R113-E169 IonicContact NH2-OE1 2.65Å; R113-E169 PolarHBondContact NH2-OE1 3.34Å; R113-E169 IonicContact NH2-OE2 2.72Å; R113-E169 PolarHBondContact NH2-OE2 3.04Å; R113-E169 VanDerWaalsContact NH2-OE2 3.14Å
114A98.9Very high98.6Very high0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-149.7137.5-175.900000112.7I77 A80 W116 F167 F168 E169I77-A114 HydrophobicContact CB-CB 4.14Å; I77-A114 WeakPolarHBondContact O-CA 3.47Å; A80-A114 HydrophobicContact CB-CB 4.22Å; A114-W116 PolarHBondContact O-N 3.29Å; A114-F167 PolarHBondContact N-O 2.74Å; A114-F168 HydrophobicContact CB-CD1 4.1Å; A114-F168 HydrophobicContact CB-CE1 4.16Å; A114-F168 WeakPolarHBondContact O-CA 3.47Å; A114-E169 PolarHBondContact O-N 3.06Å
115P98.9Very high98.6Very high1 Ų131.5 Ų31.51%0.00617%0.167CC..EExtended strand (participates in β ladder)trans-61.4130.3169.6-23.434.7000112.1F34 I77 Q78 F79 A80 E169 K171 Y174F34-P115 HydrophobicContact CD2-CB 4.12Å; F34-P115 HydrophobicContact CD2-CG 3.54Å; F34-P115 HydrophobicContact CE2-CB 3.8Å; F34-P115 HydrophobicContact CE2-CG 3.6Å; F34-P115 HydrophobicContact CZ-CB 4.46Å; I77-P115 VanDerWaalsContact O-CD 3.25Å; I77-P115 WeakPolarHBondContact O-CD 3.41Å; Q78-P115 VanDerWaalsContact O-CD 3.29Å; Q78-P115 WeakPolarHBondContact O-CD 3.44Å; Q78-P115 WeakPolarHBondContact O-CG 3.3Å; F79-P115 HydrophobicContact CD1-CB 4.47Å; A80-P115 WeakPolarHBondContact CB-O 3.34Å; A80-P115 PolarHBondContact N-O 3.43Å; P115-E169 CarbonylContact C-O 3.6Å; P115-E169 WeakPolarHBondContact CA-O 3.43Å; P115-K171 HydrophobicContact CB-CB 4.02Å; P115-Y174 HydrophobicContact CB-CE2 4.08Å; P115-Y174 HydrophobicContact CG-CE2 4.28Å; P115-Y174 WeakPolarHBondContact CG-OH 3.14Å
116W98.9Very high98.6Very high1 Ų128.9 Ų28.90%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-131.9157.2-167.7175.2104.2000112.5A80 A114 S129 E131 I144 F168 E169 P170 K171A80-W116 HydrophobicContact CB-CB 4.31Å; A114-W116 PolarHBondContact O-N 3.29Å; W116-S129 WeakPolarHBondContact CZ2-OG 3.28Å; W116-S129 VanDerWaalsContact NE1-CA 3.29Å; W116-E131 WeakPolarHBondContact CZ2-OE2 3.35Å; W116-E131 PolarHBondContact NE1-OE2 3.45Å; W116-I144 HydrophobicContact CE3-CG2 4.41Å; W116-I144 HydrophobicContact CZ2-CD1 4.2Å; W116-F168 HydrophobicContact CB-CB 3.56Å; W116-F168 HydrophobicContact CB-CD1 3.94Å; W116-F168 HydrophobicContact CB-CG 3.99Å; W116-F168 AromaticContact CD1-CD1 3.65Å; W116-F168 AromaticContact CD1-CD2 3.75Å; W116-F168 AromaticContact CD1-CG 3.38Å; W116-F168 HydrophobicContact CD2-CB 4.45Å; W116-F168 HydrophobicContact CG-CB 3.62Å; W116-F168 HydrophobicContact CG-CD1 4.15Å; W116-F168 AromaticContact CG-CG 3.89Å; W116-F168 HydrophobicContact CG-CG 3.89Å; W116-E169 PolarHBondContact N-O 3.09Å; W116-P170 HydrophobicContact CE3-CB 4.22Å; W116-P170 HydrophobicContact CE3-CG 4.15Å; W116-P170 HydrophobicContact CZ3-CG 4.49Å; W116-P170 WeakPolarHBondContact O-CA 3.41Å; W116-K171 PolarHBondContact O-N 3.23Å
117G98.8Very high98.6Very high1 Ų126.3 Ų26.31%0.0114%0.143CC..SBendtrans82.2173.4169.400000114.6S127 Q128 K171G117-S127 CarbonylContact C-O 3.55Å; G117-S127 WeakPolarHBondContact O-CA 3.46Å; G117-Q128 PolarHBondContact N-O 3.18Å; G117-Q128 VanDerWaalsContact N-O 3.11Å; G117-K171 PolarHBondContact O-NZ 3.47Å
118C98.3Very high98.6Very high11 Ų1128.4 Ų28.47%0.07415%0.153CC..  trans-65.2165.7-178.4780000113I172 E260 F297 E302C118-I172 WeakPolarHBondContact O-CB 3.42Å; C118-E260 WeakPolarHBondContact CB-OE2 3.34Å; C118-E260 PolarHBondContact N-OE2 2.95Å; C118-E260 PolarHBondContact SG-OE2 2.98Å; C118-F297 HydrophobicContact CB-CE1 4.43Å; C118-F297 HydrophobicContact CB-CE2 3.74Å; C118-F297 HydrophobicContact CB-CZ 3.43Å; C118-F297 VanDerWaalsContact CB-CZ 3.43Å; C118-E302 WeakPolarHBondContact CB-OE1 3.37Å
119V98.4Very high98.6Very high38 Ų3829 Ų2923%0.2316%0.157CC..  trans-147.210.6-178.274.80000113.7H121 K171V119-H121 VanDerWaalsContact C-N 3.32Å; V119-H121 PolarHBondContact O-CE1 3.17Å; V119-H121 PolarHBondContact O-N 3.41Å; V119-H121 PolarHBondContact O-ND1 3.42Å; V119-K171 HydrophobicContact CB-CD 4.19Å; V119-K171 HydrophobicContact CB-CG 4.11Å; V119-K171 HydrophobicContact CG2-CD 4.45Å; V119-K171 HydrophobicContact CG2-CG 4.14Å
120G97.9Very high98.6Very high46 Ų4628.3 Ų28.347%0.47415%0.152SC..SBendtrans91-23.3179.100000114.9E302G120-E302 WeakPolarHBondContact CA-OE1 3.31Å; G120-E302 VanDerWaalsContact CA-OE2 3.32Å; G120-E302 WeakPolarHBondContact CA-OE2 3.28Å; G120-E302 VanDerWaalsContact N-CD 3.35Å; G120-E302 PolarHBondContact N-OE1 3.12Å; G120-E302 PolarHBondContact N-OE2 3.48Å
121H97.9Very high98.6Very high128 Ų12828.3 Ų28.359%0.59315%0.152SC*.SBendtrans-154.618-174.353.5-81.1000113.2V119 A123 H299 E302V119-H121 VanDerWaalsContact C-N 3.32Å; V119-H121 PolarHBondContact O-CE1 3.17Å; V119-H121 PolarHBondContact O-N 3.41Å; V119-H121 PolarHBondContact O-ND1 3.42Å; H121-A123 VanDerWaalsContact C-N 3.32Å; H121-A123 PolarHBondContact O-N 2.79Å; H121-H299 PolarHBondContact O-CD2 3.46Å; H121-E302 PolarHBondContact N-OE2 3.19Å
122G98.1Very high98.6Very high6 Ų629.3 Ų29.36%0.06216%0.16CC..  trans-76.9-17.6-173.200000114.6H126 S127G122-H126 PolarHBondContact O-N 3.49Å; G122-S127 VanDerWaalsContact CA-OG 3.27Å; G122-S127 WeakPolarHBondContact CA-OG 3.13Å
123A98.6Very high98.6Very high19 Ų1934.9 Ų34.916%0.15718%0.184CC..G310 helixtrans51.6-141.1-17700000112H121 Y125 S127 F297 H299H121-A123 VanDerWaalsContact C-N 3.32Å; H121-A123 PolarHBondContact O-N 2.79Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 3.12Å; A123-S127 PolarHBondContact N-OG 3.39Å; A123-S127 VanDerWaalsContact O-CB 3.24Å; A123-S127 WeakPolarHBondContact O-CB 3.17Å; A123-S127 PolarHBondContact O-OG 3.33Å; A123-F297 CarbonylContact C-O 3.5Å; A123-F297 WeakPolarHBondContact O-CD1 3.4Å; A123-H299 HydrophobicContact CB-CB 3.64Å
124L98.3Very high98.6Very high69 Ų6934.9 Ų34.936%0.36118%0.184SC..G310 helixtrans-70.9-27-168.1-73.673.3000114Q128 P296 F297L124-Q128 PolarHBondContact O-NE2 3.22Å; L124-P296 HydrophobicContact CD2-CB 4.23Å; L124-P296 HydrophobicContact CG-CB 4.16Å; L124-F297 WeakPolarHBondContact CA-O 3.34Å; L124-F297 WeakPolarHBondContact CD1-O 3.28Å; L124-F297 PolarHBondContact N-O 3.32Å
125Y98.5Very high98.6Very high140 Ų14035.9 Ų35.955%0.54919%0.192SC..G310 helixtrans-126.710.9-164.2-54.2-62.9000114.3D81 Y82 A123D81-Y125 WeakPolarHBondContact CB-O 2.96Å; D81-Y125 VanDerWaalsContact OD1-CA 3.31Å; D81-Y125 WeakPolarHBondContact OD1-CA 3.37Å; Y82-Y125 PolarHBondContact OH-O 3.39Å; A123-Y125 VanDerWaalsContact C-N 3.34Å; A123-Y125 PolarHBondContact O-N 3.12Å
126H98.6Very high98.6Very high68 Ų6844.1 Ų44.132%0.31523%0.231SC..SBendtrans-137.323.4169.4-5391.2000112.2F79 D81 Y82 G122 K171F79-H126 HydrophobicContact CD1-CB 4.12Å; F79-H126 AromaticContact CD1-CD2 3.63Å; F79-H126 AromaticContact CD2-CD2 3.89Å; F79-H126 HydrophobicContact CE1-CB 3.99Å; F79-H126 AromaticContact CE1-CD2 3.41Å; F79-H126 VanDerWaalsContact CE1-CD2 3.41Å; F79-H126 WeakPolarHBondContact CE1-CD2 3.48Å; F79-H126 AromaticContact CE2-CD2 3.69Å; F79-H126 AromaticContact CG-CD2 3.88Å; F79-H126 AromaticContact CZ-CD2 3.44Å; F79-H126 VanDerWaalsContact CZ-CD2 3.44Å; F79-H126 WeakPolarHBondContact CZ-CD2 3.43Å; D81-H126 PolarHBondContact OD1-N 2.76Å; D81-H126 VanDerWaalsContact OD1-N 3.08Å; Y82-H126 AromaticContact CZ-NE2 3.99Å; Y82-H126 PolarHBondContact OH-CE1 3.35Å; Y82-H126 PolarHBondContact OH-NE2 3.01Å; G122-H126 PolarHBondContact O-N 3.49Å; H126-K171 PolarHBondContact O-NZ 3.34Å
127S98.8Very high98.6Very high0 Ų044.3 Ų44.30%023%0.232CC..SBendtrans-138.1-0.3-174.5-61.30000114.1D81 G117 G122 A123 F297D81-S127 PolarHBondContact OD1-N 2.83Å; G117-S127 CarbonylContact C-O 3.55Å; G117-S127 WeakPolarHBondContact O-CA 3.46Å; G122-S127 VanDerWaalsContact CA-OG 3.27Å; G122-S127 WeakPolarHBondContact CA-OG 3.13Å; A123-S127 PolarHBondContact N-OG 3.39Å; A123-S127 VanDerWaalsContact O-CB 3.24Å; A123-S127 WeakPolarHBondContact O-CB 3.17Å; A123-S127 PolarHBondContact O-OG 3.33Å; S127-F297 VanDerWaalsContact CB-CG 3.43Å
128Q98.8Very high98.6Very high47 Ų4749.5 Ų49.522%0.2227%0.265CS..  trans-68.6152-174.4-71.3-179.461.400112.9D81 G117 L124D81-Q128 HydrophobicContact CB-CB 4.43Å; D81-Q128 VanDerWaalsContact OD1-CB 3.23Å; D81-Q128 WeakPolarHBondContact OD1-CB 3.34Å; D81-Q128 WeakPolarHBondContact OD1-CG 3.47Å; D81-Q128 PolarHBondContact OD1-N 2.91Å; G117-Q128 PolarHBondContact N-O 3.18Å; G117-Q128 VanDerWaalsContact N-O 3.11Å; L124-Q128 PolarHBondContact O-NE2 3.22Å
129S98.8Very high98.6Very high14 Ų1450.8 Ų50.810%0.09828%0.28CS..  trans-126.381.5175.5-62.50000108.9W116 E131 A261W116-S129 WeakPolarHBondContact CZ2-OG 3.28Å; W116-S129 VanDerWaalsContact NE1-CA 3.29Å; S129-E131 VanDerWaalsContact C-N 3.34Å; S129-E131 WeakPolarHBondContact CA-OE2 3.48Å; S129-E131 WeakPolarHBondContact CB-OE2 3.42Å; S129-E131 PolarHBondContact O-N 3.46Å; S129-E131 VanDerWaalsContact O-OE2 3.08Å; S129-A261 WeakPolarHBondContact O-CB 3.25Å
130P98.8Very high98.6Very high1 Ų149.2 Ų49.21%0.00627%0.271CS..  trans-88.611.2-165.935.7-38.1000114.7A80 I83 F84 A132 F133 F134 F168A80-P130 HydrophobicContact CB-CG 3.93Å; I83-P130 HydrophobicContact CG2-CG 4.46Å; F84-P130 HydrophobicContact CE1-CB 4.15Å; F84-P130 HydrophobicContact CZ-CB 3.77Å; P130-A132 PolarHBondContact O-N 3.43Å; P130-A132 VanDerWaalsContact O-N 3.11Å; P130-F133 HydrophobicContact CB-CD2 3.95Å; P130-F133 WeakPolarHBondContact O-CB 3.33Å; P130-F133 PolarHBondContact O-N 3.35Å; P130-F134 HydrophobicContact CB-CE2 4.29Å; P130-F134 HydrophobicContact CG-CE2 4.4Å; P130-F134 WeakPolarHBondContact O-CD2 3.31Å; P130-F168 HydrophobicContact CG-CE1 4.02Å; P130-F168 HydrophobicContact CG-CE2 4.41Å; P130-F168 HydrophobicContact CG-CZ 3.7Å
131E98.9Very high98.6Very high0 Ų048.6 Ų48.60%026%0.255CS..Hα-helixtrans-55.8-33.9-173.265-80.8-173.500113.5W116 S129 F133 F134 A135 I142 I144 F168 W207 I237 H259W116-E131 WeakPolarHBondContact CZ2-OE2 3.35Å; W116-E131 PolarHBondContact NE1-OE2 3.45Å; S129-E131 VanDerWaalsContact C-N 3.34Å; S129-E131 WeakPolarHBondContact CA-OE2 3.48Å; S129-E131 WeakPolarHBondContact CB-OE2 3.42Å; S129-E131 PolarHBondContact O-N 3.46Å; S129-E131 VanDerWaalsContact O-OE2 3.08Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 3.2Å; E131-F134 PolarHBondContact O-N 2.99Å; E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 3.26Å; E131-I142 HydrophobicContact CB-CG2 4.12Å; E131-I144 HydrophobicContact CB-CD1 4.05Å; E131-I144 HydrophobicContact CG-CD1 4.18Å; E131-F168 HydrophobicContact CB-CD2 4.44Å; E131-F168 HydrophobicContact CB-CE2 4.22Å; E131-W207 PolarHBondContact OE1-NE1 3.14Å; E131-I237 HydrophobicContact CB-CG1 4.15Å; E131-I237 HydrophobicContact CB-CG2 4.29Å; E131-I237 HydrophobicContact CG-CD1 4.43Å; E131-I237 HydrophobicContact CG-CG1 4.19Å; E131-I237 HydrophobicContact CG-CG2 4.36Å; E131-H259 IonicContact OE1-ND1 3.92Å
132A98.8Very high98.7Very high22 Ų2242.5 Ų42.518%0.18223%0.227CC..Hα-helixtrans-67.6-31.2-18000000113.2P130 F134 A135 G265P130-A132 PolarHBondContact O-N 3.43Å; P130-A132 VanDerWaalsContact O-N 3.11Å; A132-F134 VanDerWaalsContact C-N 3.25Å; A132-F134 PolarHBondContact O-N 3.45Å; A132-A135 PolarHBondContact O-N 3.22Å; A132-G265 WeakPolarHBondContact CB-O 3.25Å
133F98.9Very high98.7Very high120 Ų12042.2 Ų42.253%0.52622%0.224SC..Hα-helixtrans-63.1-36.9174.7-70.2-69.5000111.6F84 F87 P130 E131F84-F133 AromaticContact CE1-CD2 3.74Å; F84-F133 HydrophobicContact CE1-CD2 3.74Å; F84-F133 HydrophobicContact CE1-CE2 4.04Å; F84-F133 HydrophobicContact CE1-CG 4.24Å; F84-F133 HydrophobicContact CZ-CD2 4.01Å; F84-F133 AromaticContact CZ-CE2 3.98Å; F84-F133 HydrophobicContact CZ-CE2 3.98Å; F87-F133 HydrophobicContact CE2-CB 3.99Å; F87-F133 HydrophobicContact CZ-CB 4.47Å; P130-F133 HydrophobicContact CB-CD2 3.95Å; P130-F133 WeakPolarHBondContact O-CB 3.33Å; P130-F133 PolarHBondContact O-N 3.35Å; E131-F133 VanDerWaalsContact C-N 3.34Å; E131-F133 PolarHBondContact O-N 3.2Å
134F98.9Very high98.7Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-85.4-25.6-179.1-65.3-69.7000112.5I83 F87 I90 P130 E131 A132 H136 C137 I140 I142 I166 F168I83-F134 HydrophobicContact CD1-CE2 4.11Å; I83-F134 HydrophobicContact CD1-CZ 3.92Å; I83-F134 HydrophobicContact CG1-CZ 4.05Å; I83-F134 HydrophobicContact CG2-CE2 3.75Å; I83-F134 HydrophobicContact CG2-CZ 3.68Å; F87-F134 HydrophobicContact CD2-CD1 4.19Å; F87-F134 AromaticContact CD2-CE1 3.44Å; F87-F134 HydrophobicContact CD2-CE1 3.44Å; F87-F134 VanDerWaalsContact CD2-CE1 3.44Å; F87-F134 AromaticContact CD2-CZ 3.75Å; F87-F134 HydrophobicContact CD2-CZ 3.75Å; F87-F134 AromaticContact CE2-CD1 3.88Å; F87-F134 HydrophobicContact CE2-CD1 3.88Å; F87-F134 AromaticContact CE2-CE1 3.6Å; F87-F134 HydrophobicContact CE2-CE1 3.6Å; F87-F134 HydrophobicContact CE2-CZ 4.08Å; I90-F134 HydrophobicContact CB-CE1 4.14Å; I90-F134 HydrophobicContact CD1-CE1 3.76Å; I90-F134 HydrophobicContact CD1-CZ 4Å; I90-F134 HydrophobicContact CG2-CD1 3.83Å; I90-F134 HydrophobicContact CG2-CE1 3.69Å; P130-F134 HydrophobicContact CB-CE2 4.29Å; P130-F134 HydrophobicContact CG-CE2 4.4Å; P130-F134 WeakPolarHBondContact O-CD2 3.31Å; E131-F134 PolarHBondContact O-N 2.99Å; A132-F134 VanDerWaalsContact C-N 3.25Å; A132-F134 PolarHBondContact O-N 3.45Å; F134-H136 PolarHBondContact O-N 3.16Å; F134-H136 VanDerWaalsContact O-N 3.14Å; F134-C137 WeakPolarHBondContact O-CB 3.12Å; F134-C137 PolarHBondContact O-N 3.41Å; F134-I140 HydrophobicContact CB-CD1 3.83Å; F134-I140 HydrophobicContact CD1-CD1 4.04Å; F134-I140 HydrophobicContact CG-CD1 4.35Å; F134-I142 VanDerWaalsContact C-CD1 3.42Å; F134-I142 HydrophobicContact CB-CD1 3.38Å; F134-I142 HydrophobicContact CB-CG1 4.06Å; F134-I166 HydrophobicContact CB-CD1 4.16Å; F134-I166 HydrophobicContact CD1-CD1 3.66Å; F134-I166 HydrophobicContact CD2-CD1 4.11Å; F134-I166 HydrophobicContact CE1-CD1 4.01Å; F134-I166 HydrophobicContact CE2-CD1 4.43Å; F134-I166 HydrophobicContact CG-CD1 3.7Å; F134-I166 HydrophobicContact CZ-CD1 4.38Å; F134-F168 HydrophobicContact CD2-CZ 4.18Å; F134-F168 HydrophobicContact CE2-CZ 4.17Å
135A98.6Very high98.8Very high21 Ų2138 Ų3817%0.17420%0.199CC..Hα-helixtrans-60.9-23.5-179.200000113.4E131 A132 C137 I142 I237 F267E131-A135 WeakPolarHBondContact O-CB 3.36Å; E131-A135 PolarHBondContact O-N 3.26Å; A132-A135 PolarHBondContact O-N 3.22Å; A135-C137 VanDerWaalsContact C-N 3.28Å; A135-C137 PolarHBondContact O-N 3.05Å; A135-I142 HydrophobicContact CB-CD1 4.4Å; A135-I237 HydrophobicContact CB-CG2 4.14Å; A135-F267 HydrophobicContact CB-CD2 3.54Å; A135-F267 HydrophobicContact CB-CE2 3.7Å
136H98.4Very high98.8Very high175 Ų17532.9 Ų32.981%0.8118%0.179SC*.THydrogen-bonded Turntrans-86.711.8175.1-164.256.4000114F134 P138F134-H136 PolarHBondContact O-N 3.16Å; F134-H136 VanDerWaalsContact O-N 3.14Å; H136-P138 WeakPolarHBondContact O-CD 3.42Å
137C98.7Very high98.8Very high4 Ų429.8 Ų29.83%0.02717%0.165CC..  trans-114.896.4-178.7-176.80000111.7V91 A95 F134 A135 G139 I140V91-C137 HydrophobicContact CG1-CB 4.44Å; V91-C137 HydrophobicContact CG2-CB 4.17Å; A95-C137 WeakPolarHBondContact CB-SG 3.49Å; F134-C137 WeakPolarHBondContact O-CB 3.12Å; F134-C137 PolarHBondContact O-N 3.41Å; A135-C137 VanDerWaalsContact C-N 3.28Å; A135-C137 PolarHBondContact O-N 3.05Å; C137-G139 PolarHBondContact O-N 3.15Å; C137-I140 HydrophobicContact CB-CD1 4.05Å; C137-I140 HydrophobicContact CB-CG1 4.22Å; C137-I140 VanDerWaalsContact O-CG1 3.24Å; C137-I140 WeakPolarHBondContact O-CG1 3.4Å
138P98.8Very high98.8Very high110 Ų11029.8 Ų29.871%0.71417%0.165SC*.THydrogen-bonded Turntrans-59135.3174.9-24.234.1000112.4A95 H136A95-P138 WeakPolarHBondContact CB-O 3.47Å; H136-P138 WeakPolarHBondContact O-CD 3.42Å
139G98.4Very high98.8Very high38 Ų3829.6 Ų29.639%0.39217%0.167SC..THydrogen-bonded Turntrans108.6-6174.600000115.5A95 C137 P164A95-G139 WeakPolarHBondContact O-CA 3.1Å; C137-G139 PolarHBondContact O-N 3.15Å; G139-P164 WeakPolarHBondContact O-CG 3.48Å
140I98.9Very high98.8Very high6 Ų629.4 Ų29.43%0.03116%0.164CC..  trans-109.6157.7167.249.7166.4000111I90 A95 F134 C137 I142 P164 I166I90-I140 HydrophobicContact CG2-CD1 4.08Å; I90-I140 HydrophobicContact CG2-CG2 4.36Å; A95-I140 HydrophobicContact CB-CG2 3.75Å; F134-I140 HydrophobicContact CB-CD1 3.83Å; F134-I140 HydrophobicContact CD1-CD1 4.04Å; F134-I140 HydrophobicContact CG-CD1 4.35Å; C137-I140 HydrophobicContact CB-CD1 4.05Å; C137-I140 HydrophobicContact CB-CG1 4.22Å; C137-I140 VanDerWaalsContact O-CG1 3.24Å; C137-I140 WeakPolarHBondContact O-CG1 3.4Å; I140-I142 HydrophobicContact CD1-CG1 4.42Å; I140-P164 WeakPolarHBondContact CA-O 3.3Å; I140-P164 HydrophobicContact CG2-CB 4.18Å; I140-P164 HydrophobicContact CG2-CG 3.84Å; I140-I166 HydrophobicContact CD1-CD1 3.89Å
141K98.9Very high98.8Very high33 Ų3329.3 Ų29.314%0.14316%0.164CC..EExtended strand (participates in β ladder)trans-109.3145.6167.7-59.2-168.7175.4-178.10111.1D161 N163 P164 C165 I166 L190 L238K141-D161 WeakPolarHBondContact CE-OD1 3.5Å; K141-D161 VanDerWaalsContact NZ-CG 3.33Å; K141-D161 IonicContact NZ-OD1 2.65Å; K141-D161 PolarHBondContact NZ-OD1 3.12Å; K141-D161 IonicContact NZ-OD2 3.22Å; K141-D161 PolarHBondContact NZ-OD2 2.96Å; K141-N163 HydrophobicContact CD-CB 4.48Å; K141-N163 HydrophobicContact CG-CB 4.31Å; K141-P164 PolarHBondContact N-O 2.83Å; K141-C165 CarbonylContact O-C 3.56Å; K141-C165 WeakPolarHBondContact O-CA 3.12Å; K141-I166 PolarHBondContact O-N 2.76Å; K141-L190 HydrophobicContact CD-CD1 3.83Å; K141-L238 CarbonylContact C-O 3.19Å; K141-L238 WeakPolarHBondContact CA-O 3.42Å
142I98.9Very high98.8Very high0 Ų029.3 Ų29.30%016%0.164CC..EExtended strand (participates in β ladder)trans-129.7123.7-178.3-54.5159.1000109.1E131 F134 A135 I140 I166 F168 T236 I237 L238E131-I142 HydrophobicContact CB-CG2 4.12Å; F134-I142 VanDerWaalsContact C-CD1 3.42Å; F134-I142 HydrophobicContact CB-CD1 3.38Å; F134-I142 HydrophobicContact CB-CG1 4.06Å; A135-I142 HydrophobicContact CB-CD1 4.4Å; I140-I142 HydrophobicContact CD1-CG1 4.42Å; I142-I166 WeakPolarHBondContact CA-O 3.4Å; I142-F168 HydrophobicContact CG2-CD2 4.03Å; I142-F168 HydrophobicContact CG2-CE2 3.96Å; I142-T236 CarbonylContact O-C 3.52Å; I142-T236 WeakPolarHBondContact O-CA 3.45Å; I142-T236 WeakPolarHBondContact O-CG2 3.45Å; I142-I237 HydrophobicContact CB-CB 4Å; I142-I237 HydrophobicContact CG2-CB 3.92Å; I142-I237 HydrophobicContact CG2-CG1 4.09Å; I142-I237 PolarHBondContact O-N 3.01Å; I142-L238 HydrophobicContact CB-CB 4.45Å; I142-L238 HydrophobicContact CD1-CB 3.94Å; I142-L238 HydrophobicContact CD1-CD2 4.42Å; I142-L238 HydrophobicContact CG1-CB 4.31Å; I142-L238 PolarHBondContact N-O 2.93Å; I142-L238 PolarHBondContact O-N 3.34Å
143V99Very high98.8Very high0 Ų028.3 Ų28.30%016%0.155CC..EExtended strand (participates in β ladder)trans-135.5135.1-168.7-174.70000110.7L154 I166 F167 F168 L190 T236V143-L154 HydrophobicContact CG1-CB 3.93Å; V143-L154 HydrophobicContact CG1-CD1 4.08Å; V143-L154 HydrophobicContact CG1-CD2 4.03Å; V143-L154 HydrophobicContact CG1-CG 4.25Å; V143-I166 PolarHBondContact N-O 3.01Å; V143-F167 HydrophobicContact CB-CD2 4.02Å; V143-F167 HydrophobicContact CG1-CD2 4Å; V143-F167 HydrophobicContact CG1-CE2 4.03Å; V143-F168 PolarHBondContact O-N 2.82Å; V143-L190 HydrophobicContact CG1-CD2 4.2Å; V143-L190 HydrophobicContact CG2-CD1 4.47Å; V143-L190 HydrophobicContact CG2-CD2 3.86Å; V143-T236 HydrophobicContact CG2-CG2 4.23Å
144I98.9Very high98.8Very high0 Ų022.6 Ų22.60%013%0.13CC..  trans-138.1109.9-175.9-42.5-169.7000109.5W116 E131 F168 P170 R235 I237W116-I144 HydrophobicContact CE3-CG2 4.41Å; W116-I144 HydrophobicContact CZ2-CD1 4.2Å; E131-I144 HydrophobicContact CB-CD1 4.05Å; E131-I144 HydrophobicContact CG-CD1 4.18Å; I144-F168 HydrophobicContact CD1-CB 4.37Å; I144-F168 HydrophobicContact CD1-CD2 4.15Å; I144-F168 HydrophobicContact CG1-CB 4.07Å; I144-F168 HydrophobicContact CG1-CD2 4.28Å; I144-F168 HydrophobicContact CG2-CB 4.44Å; I144-P170 HydrophobicContact CG2-CG 4.11Å; I144-R235 PolarHBondContact N-O 2.97Å; I144-I237 HydrophobicContact CD1-CD1 4.22Å; I144-I237 HydrophobicContact CD1-CG1 3.82Å; I144-I237 HydrophobicContact CG1-CG1 4.06Å
145P98.9Very high98.8Very high0 Ų022.6 Ų22.60%013%0.13CC..  trans-81.7153177.936.7-35.6000111.8Q150 A151 L154 F167 F168 P170P145-Q150 HydrophobicContact CB-CB 3.9Å; P145-A151 HydrophobicContact CB-CB 3.86Å; P145-A151 HydrophobicContact CG-CB 3.78Å; P145-L154 HydrophobicContact CB-CD1 4.01Å; P145-F167 HydrophobicContact CB-CZ 4.29Å; P145-F167 HydrophobicContact CG-CE1 4.18Å; P145-F167 HydrophobicContact CG-CE2 4.24Å; P145-F167 HydrophobicContact CG-CZ 3.59Å; P145-F168 WeakPolarHBondContact CD-O 3.19Å; P145-P170 WeakPolarHBondContact O-CD 3.43Å; P145-P170 VanDerWaalsContact O-CG 3.23Å; P145-P170 WeakPolarHBondContact O-CG 3.44Å
146R98.7Very high98.8Very high31 Ų3121.8 Ų21.812%0.11712%0.123CC..SBendtrans-95.4-14.6171.970.8171.7-173.9-76.10.3115.4Q150 L173 E194 G208 V211 H212 D233R146-Q150 HydrophobicContact CG-CG 4.1Å; R146-Q150 VanDerWaalsContact NH1-NE2 3.15Å; R146-L173 WeakPolarHBondContact O-CD1 3.37Å; R146-E194 IonicContact CZ-OE2 3.11Å; R146-E194 VanDerWaalsContact CZ-OE2 3.28Å; R146-E194 IonicContact NH1-OE2 2.9Å; R146-E194 PolarHBondContact NH1-OE2 3.28Å; R146-E194 VanDerWaalsContact NH2-CD 3.33Å; R146-E194 IonicContact NH2-OE1 3.21Å; R146-E194 PolarHBondContact NH2-OE1 2.96Å; R146-E194 VanDerWaalsContact NH2-OE1 3.11Å; R146-E194 IonicContact NH2-OE2 2.73Å; R146-E194 PolarHBondContact NH2-OE2 2.88Å; R146-G208 WeakPolarHBondContact CB-O 3.22Å; R146-V211 HydrophobicContact CB-CB 4.19Å; R146-V211 HydrophobicContact CB-CG2 4.21Å; R146-H212 PolarHBondContact O-NE2 2.91Å; R146-D233 WeakPolarHBondContact CD-OD2 3.39Å; R146-D233 WeakPolarHBondContact CG-OD2 3.27Å; R146-D233 IonicContact CZ-OD2 3.28Å; R146-D233 IonicContact NE-OD2 2.7Å; R146-D233 IonicContact NH1-OD2 2.94Å; R146-D233 PolarHBondContact NH1-OD2 3.4Å
147S98.7Very high98.8Very high4 Ų414 Ų143%0.0289%0.088CC..SBendtrans-153.1166.4-169900000113.5V149 Q150 A151 E179S147-V149 PolarHBondContact O-N 3.35Å; S147-V149 PolarHBondContact OG-N 2.98Å; S147-Q150 WeakPolarHBondContact O-CB 3.38Å; S147-Q150 PolarHBondContact O-N 2.86Å; S147-Q150 PolarHBondContact OG-N 2.99Å; S147-A151 VanDerWaalsContact O-CB 3.25Å; S147-A151 WeakPolarHBondContact O-CB 3.15Å; S147-A151 PolarHBondContact O-N 3.08Å; S147-E179 VanDerWaalsContact CB-OE1 3.27Å; S147-E179 WeakPolarHBondContact CB-OE1 3.02Å; S147-E179 VanDerWaalsContact CB-OE2 3.26Å; S147-E179 WeakPolarHBondContact CB-OE2 3.41Å; S147-E179 PolarHBondContact OG-OE1 3.45Å; S147-E179 PolarHBondContact OG-OE2 2.98Å
148P98.8Very high98.8Very high0 Ų013.8 Ų13.80%09%0.087CC..Hα-helixtrans-58.5-40.6177.2-24.433.4000114.6L3 S6 A151 K152 A177 E179 V181L3-P148 HydrophobicContact CB-CG 4.15Å; S6-P148 WeakPolarHBondContact CB-O 3.2Å; S6-P148 WeakPolarHBondContact OG-CA 3.47Å; S6-P148 PolarHBondContact OG-O 3.05Å; P148-A151 PolarHBondContact O-N 2.8Å; P148-K152 PolarHBondContact O-N 3.31Å; P148-A177 HydrophobicContact CG-CB 4.02Å; P148-E179 HydrophobicContact CB-CB 4.37Å; P148-E179 HydrophobicContact CG-CB 4.31Å; P148-E179 HydrophobicContact CG-CG 4.34Å; P148-V181 HydrophobicContact CB-CG2 3.69Å
149V98.6Very high98.8Very high42 Ų429 Ų926%0.2556%0.055SC..Hα-helixtrans-65.9-44.7176.8175.30000110.4S147 A151 G153 E179 Q180 V181 Y186S147-V149 PolarHBondContact O-N 3.35Å; S147-V149 PolarHBondContact OG-N 2.98Å; V149-A151 VanDerWaalsContact C-N 3.35Å; V149-A151 PolarHBondContact O-N 3.09Å; V149-G153 PolarHBondContact O-N 3.27Å; V149-E179 HydrophobicContact CG2-CB 3.98Å; V149-E179 WeakPolarHBondContact CG2-OE2 3.05Å; V149-E179 PolarHBondContact N-OE2 2.98Å; V149-Q180 WeakPolarHBondContact CG2-O 3.33Å; V149-V181 HydrophobicContact CG2-CG2 3.84Å; V149-Y186 WeakPolarHBondContact CA-OH 3.39Å; V149-Y186 HydrophobicContact CG1-CE2 4.3Å; V149-Y186 WeakPolarHBondContact CG1-OH 3.43Å; V149-Y186 PolarHBondContact O-OH 3.11Å
150Q98.7Very high98.9Very high10 Ų1010.2 Ų10.25%0.0475%0.051CC..Hα-helixtrans-59.9-46.6175.7-73.3-85.2-36.200111.7P145 R146 S147 K152 G153 L154 E194P145-Q150 HydrophobicContact CB-CB 3.9Å; R146-Q150 HydrophobicContact CG-CG 4.1Å; R146-Q150 VanDerWaalsContact NH1-NE2 3.15Å; S147-Q150 WeakPolarHBondContact O-CB 3.38Å; S147-Q150 PolarHBondContact O-N 2.86Å; S147-Q150 PolarHBondContact OG-N 2.99Å; Q150-K152 PolarHBondContact O-N 2.6Å; Q150-G153 PolarHBondContact O-N 3.06Å; Q150-L154 HydrophobicContact CB-CD1 4.33Å; Q150-L154 VanDerWaalsContact O-CB 3.26Å; Q150-L154 WeakPolarHBondContact O-CB 3.46Å; Q150-L154 WeakPolarHBondContact O-CG 3.31Å; Q150-L154 PolarHBondContact O-N 3.37Å; Q150-E194 PolarHBondContact NE2-OE2 3.5Å
151A98.9Very high98.9Very high0 Ų011.4 Ų11.40%06%0.057CC..Hα-helixtrans-60.4-46.3-174.300000112L3 I7 P145 S147 P148 V149 L155 F167L3-A151 HydrophobicContact CD1-CB 4.25Å; L3-A151 HydrophobicContact CG-CB 4.06Å; I7-A151 HydrophobicContact CD1-CB 3.96Å; P145-A151 HydrophobicContact CB-CB 3.86Å; P145-A151 HydrophobicContact CG-CB 3.78Å; S147-A151 VanDerWaalsContact O-CB 3.25Å; S147-A151 WeakPolarHBondContact O-CB 3.15Å; S147-A151 PolarHBondContact O-N 3.08Å; P148-A151 PolarHBondContact O-N 2.8Å; V149-A151 VanDerWaalsContact C-N 3.35Å; V149-A151 PolarHBondContact O-N 3.09Å; A151-L155 WeakPolarHBondContact O-CB 3.36Å; A151-L155 PolarHBondContact O-N 3.45Å; A151-F167 HydrophobicContact CB-CZ 4.45Å; A151-F167 WeakPolarHBondContact O-CZ 3.31Å
152K98.9Very high98.9Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-62.2-51.3177171.7166.4179.7174.10112S9 A10 N13 P148 Q150 L155 L156 V181 P182 V183 E184 Y186S9-K152 PolarHBondContact OG-NZ 3.22Å; A10-K152 HydrophobicContact CB-CB 4.42Å; A10-K152 HydrophobicContact CB-CG 4.07Å; N13-K152 WeakPolarHBondContact OD1-CE 3.2Å; N13-K152 PolarHBondContact OD1-NZ 3.21Å; P148-K152 PolarHBondContact O-N 3.31Å; Q150-K152 PolarHBondContact O-N 2.6Å; K152-L155 PolarHBondContact O-N 2.73Å; K152-L156 HydrophobicContact CG-CD1 3.99Å; K152-L156 WeakPolarHBondContact O-CB 3.35Å; K152-L156 WeakPolarHBondContact O-CG 3.16Å; K152-L156 PolarHBondContact O-N 3.45Å; K152-V181 HydrophobicContact CB-CG1 4.16Å; K152-V181 HydrophobicContact CD-CG1 3.73Å; K152-P182 PolarHBondContact NZ-O 3.38Å; K152-V183 VanDerWaalsContact NZ-C 3.29Å; K152-V183 PolarHBondContact NZ-O 2.67Å; K152-E184 WeakPolarHBondContact CE-O 3.23Å; K152-E184 PolarHBondContact NZ-O 2.93Å; K152-Y186 HydrophobicContact CB-CE1 4.41Å; K152-Y186 HydrophobicContact CD-CD1 4.49Å; K152-Y186 HydrophobicContact CD-CE1 3.71Å; K152-Y186 HydrophobicContact CG-CE1 3.85Å
153G98.9Very high98.8Very high0 Ų018.8 Ų18.80%09%0.092CC..Hα-helixtrans-66.7-39.8-175.400000113.7V149 Q150 S157 Y186 I188V149-G153 PolarHBondContact O-N 3.27Å; Q150-G153 PolarHBondContact O-N 3.06Å; G153-S157 WeakPolarHBondContact O-CB 3.42Å; G153-S157 PolarHBondContact O-N 3.39Å; G153-S157 VanDerWaalsContact O-N 3.15Å; G153-S157 PolarHBondContact O-OG 3.44Å; G153-Y186 WeakPolarHBondContact CA-O 3.42Å; G153-I188 PolarHBondContact O-N 3.33Å
154L98.9Very high98.8Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-72.7-39.4177.6-72.4169.9000111.9V143 P145 Q150 S157 C158 F167 I188 L190 R235V143-L154 HydrophobicContact CG1-CB 3.93Å; V143-L154 HydrophobicContact CG1-CD1 4.08Å; V143-L154 HydrophobicContact CG1-CD2 4.03Å; V143-L154 HydrophobicContact CG1-CG 4.25Å; P145-L154 HydrophobicContact CB-CD1 4.01Å; Q150-L154 HydrophobicContact CB-CD1 4.33Å; Q150-L154 VanDerWaalsContact O-CB 3.26Å; Q150-L154 WeakPolarHBondContact O-CB 3.46Å; Q150-L154 WeakPolarHBondContact O-CG 3.31Å; Q150-L154 PolarHBondContact O-N 3.37Å; L154-S157 PolarHBondContact O-N 3.12Å; L154-C158 PolarHBondContact O-N 3.28Å; L154-C158 PolarHBondContact O-SG 3.35Å; L154-F167 HydrophobicContact CB-CE2 3.78Å; L154-I188 HydrophobicContact CD2-CB 3.96Å; L154-I188 HydrophobicContact CD2-CG2 3.55Å; L154-I188 HydrophobicContact CG-CB 4.04Å; L154-I188 HydrophobicContact CG-CG2 3.91Å; L154-L190 HydrophobicContact CD2-CD2 3.96Å; L154-R235 HydrophobicContact CD1-CB 4.22Å
155L98.9Very high98.8Very high0 Ų019.3 Ų19.30%010%0.095CC..Hα-helixtrans-65-44.9176.917856000111.4I7 A10 L11 T111 A151 K152 S157 C158 I159 F167I7-L155 HydrophobicContact CD1-CD2 3.82Å; I7-L155 HydrophobicContact CG2-CD2 3.93Å; A10-L155 HydrophobicContact CB-CB 4.3Å; A10-L155 HydrophobicContact CB-CD2 3.85Å; A10-L155 HydrophobicContact CB-CG 4.18Å; L11-L155 HydrophobicContact CD2-CD2 4.27Å; L11-L155 HydrophobicContact CG-CD2 4.39Å; T111-L155 HydrophobicContact CG2-CD1 4.07Å; A151-L155 WeakPolarHBondContact O-CB 3.36Å; A151-L155 PolarHBondContact O-N 3.45Å; K152-L155 PolarHBondContact O-N 2.73Å; L155-S157 PolarHBondContact O-N 3.35Å; L155-C158 WeakPolarHBondContact O-CB 3.48Å; L155-C158 PolarHBondContact O-N 3.36Å; L155-C158 VanDerWaalsContact O-N 3.13Å; L155-I159 HydrophobicContact CD1-CD1 3.97Å; L155-I159 HydrophobicContact CD1-CG1 4.12Å; L155-I159 HydrophobicContact CG-CD1 3.85Å; L155-I159 HydrophobicContact CG-CG1 4.46Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.32Å; L155-I159 PolarHBondContact O-N 3.16Å; L155-F167 HydrophobicContact CB-CD1 4.36Å; L155-F167 HydrophobicContact CB-CD2 4.4Å; L155-F167 HydrophobicContact CB-CE1 3.95Å; L155-F167 HydrophobicContact CB-CE2 4Å; L155-F167 HydrophobicContact CB-CZ 3.74Å; L155-F167 HydrophobicContact CD1-CB 4.27Å; L155-F167 HydrophobicContact CD1-CD1 3.89Å; L155-F167 HydrophobicContact CD1-CD2 4.41Å; L155-F167 HydrophobicContact CD1-CE1 4.3Å; L155-F167 HydrophobicContact CD1-CG 3.93Å; L155-F167 HydrophobicContact CD2-CE1 4.43Å; L155-F167 HydrophobicContact CG-CE1 4.45Å
156L98.9Very high98.8Very high4 Ų419.4 Ų19.42%0.02110%0.096CC..Hα-helixtrans-58.1-39.9173.7-75.9171.4000111.4A10 N13 A14 K152 I159 E160 P185 Y186A10-L156 HydrophobicContact CB-CD2 4.34Å; A10-L156 HydrophobicContact CB-CG 4.04Å; A10-L156 WeakPolarHBondContact O-CD2 3.14Å; N13-L156 HydrophobicContact CB-CD2 4.27Å; A14-L156 HydrophobicContact CB-CD2 4.45Å; K152-L156 HydrophobicContact CG-CD1 3.99Å; K152-L156 WeakPolarHBondContact O-CB 3.35Å; K152-L156 WeakPolarHBondContact O-CG 3.16Å; K152-L156 PolarHBondContact O-N 3.45Å; L156-I159 PolarHBondContact O-N 2.75Å; L156-E160 WeakPolarHBondContact O-CB 3.32Å; L156-E160 WeakPolarHBondContact O-CG 3.27Å; L156-E160 PolarHBondContact O-N 2.7Å; L156-P185 HydrophobicContact CD1-CB 3.78Å; L156-Y186 WeakPolarHBondContact CD1-O 3.38Å
157S98.9Very high98.9Very high12 Ų1217.9 Ų17.98%0.0849%0.09CC..Hα-helixtrans-67.5-35.7176.9-53.20000112.5G153 L154 L155 D161 N187 I188G153-S157 WeakPolarHBondContact O-CB 3.42Å; G153-S157 PolarHBondContact O-N 3.39Å; G153-S157 VanDerWaalsContact O-N 3.15Å; G153-S157 PolarHBondContact O-OG 3.44Å; L154-S157 PolarHBondContact O-N 3.12Å; L155-S157 PolarHBondContact O-N 3.35Å; S157-D161 WeakPolarHBondContact O-CB 3.06Å; S157-D161 PolarHBondContact O-N 3.26Å; S157-N187 WeakPolarHBondContact OG-CA 3.47Å; S157-N187 WeakPolarHBondContact OG-CB 3.49Å; S157-N187 PolarHBondContact OG-ND2 2.93Å; S157-I188 VanDerWaalsContact CB-O 3.3Å; S157-I188 WeakPolarHBondContact CB-O 3.26Å; S157-I188 PolarHBondContact OG-N 3.44Å; S157-I188 PolarHBondContact OG-O 3.37Å
158C98.9Very high98.9Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-64.4-45.5171.9-660000112T111 L154 L155 E160 D161 C165T111-C158 HydrophobicContact CG2-CB 4.11Å; T111-C158 VanDerWaalsContact OG1-C 3.28Å; T111-C158 PolarHBondContact OG1-O 3.34Å; T111-C158 VanDerWaalsContact OG1-O 3.13Å; L154-C158 PolarHBondContact O-N 3.28Å; L154-C158 PolarHBondContact O-SG 3.35Å; L155-C158 WeakPolarHBondContact O-CB 3.48Å; L155-C158 PolarHBondContact O-N 3.36Å; L155-C158 VanDerWaalsContact O-N 3.13Å; C158-E160 VanDerWaalsContact C-N 3.26Å; C158-E160 PolarHBondContact O-N 3.07Å; C158-D161 PolarHBondContact O-N 2.65Å; C158-C165 HydrophobicContact CB-CB 3.72Å
159I98.9Very high98.9Very high9 Ų917.7 Ų17.75%0.0469%0.089CC..Hα-helixtrans-62.5-36.7-179.5-68.5166.4000111L11 A14 T72 I74 T111 L155 L156L11-I159 HydrophobicContact CD2-CD1 4.27Å; A14-I159 HydrophobicContact CB-CD1 4.01Å; A14-I159 HydrophobicContact CB-CG2 4.07Å; T72-I159 HydrophobicContact CG2-CG2 3.75Å; I74-I159 HydrophobicContact CD1-CD1 3.88Å; I74-I159 HydrophobicContact CD1-CG1 4.17Å; I74-I159 HydrophobicContact CD1-CG2 4.24Å; I74-I159 HydrophobicContact CG1-CG1 4.32Å; T111-I159 HydrophobicContact CG2-CG1 4.36Å; T111-I159 WeakPolarHBondContact OG1-CA 3.24Å; T111-I159 PolarHBondContact OG1-N 2.75Å; L155-I159 HydrophobicContact CD1-CD1 3.97Å; L155-I159 HydrophobicContact CD1-CG1 4.12Å; L155-I159 HydrophobicContact CG-CD1 3.85Å; L155-I159 HydrophobicContact CG-CG1 4.46Å; L155-I159 VanDerWaalsContact O-CG1 3.3Å; L155-I159 WeakPolarHBondContact O-CG1 3.32Å; L155-I159 PolarHBondContact O-N 3.16Å; L156-I159 PolarHBondContact O-N 2.75Å
160E98.9Very high98.9Very high63 Ų6315.7 Ų15.729%0.2948%0.077SC..Hα-helixtrans-87.9-20-177.7-67.3179.6154.800113.9K17 L156 C158 K162 N187K17-E160 IonicContact NZ-OE1 3.64Å; K17-E160 PolarHBondContact NZ-OE1 3.06Å; L156-E160 WeakPolarHBondContact O-CB 3.32Å; L156-E160 WeakPolarHBondContact O-CG 3.27Å; L156-E160 PolarHBondContact O-N 2.7Å; C158-E160 VanDerWaalsContact C-N 3.26Å; C158-E160 PolarHBondContact O-N 3.07Å; E160-K162 PolarHBondContact O-NZ 2.69Å; E160-N187 PolarHBondContact OE2-ND2 3.25Å
161D98.8Very high98.9Very high32 Ų3215.7 Ų15.717%0.1718%0.076CC..SBendtrans-57.8154.6177.9-160.9-92.3000111K141 S157 C158 N163 L190K141-D161 WeakPolarHBondContact CE-OD1 3.5Å; K141-D161 VanDerWaalsContact NZ-CG 3.33Å; K141-D161 IonicContact NZ-OD1 2.65Å; K141-D161 PolarHBondContact NZ-OD1 3.12Å; K141-D161 IonicContact NZ-OD2 3.22Å; K141-D161 PolarHBondContact NZ-OD2 2.96Å; S157-D161 WeakPolarHBondContact O-CB 3.06Å; S157-D161 PolarHBondContact O-N 3.26Å; C158-D161 PolarHBondContact O-N 2.65Å; D161-N163 VanDerWaalsContact C-N 3.33Å; D161-N163 VanDerWaalsContact OD1-CB 3.27Å; D161-N163 WeakPolarHBondContact OD1-CB 3.36Å; D161-N163 PolarHBondContact OD1-N 3.36Å; D161-N163 PolarHBondContact OD1-ND2 2.94Å; D161-L190 HydrophobicContact CB-CD1 4.17Å
162K98.7Very high98.9Very high138 Ų13818.7 Ų18.760%0.69%0.092SC*.SBendtrans-99.126.9179.6-55.5-53.9175.6-153.50112R98 G108 E160R98-K162 PolarHBondContact NH2-O 2.8Å; G108-K162 VanDerWaalsContact CA-C 3.49Å; G108-K162 WeakPolarHBondContact CA-O 3.27Å; G108-K162 CarbonylContact O-C 3.58Å; E160-K162 PolarHBondContact O-NZ 2.69Å
163N98.8Very high98.9Very high50 Ų5019.3 Ų19.327%0.26710%0.095SC..SBendtrans-136.1147.9175.6-56.1-79.9000109.4G108 K141 D161 C165G108-N163 CarbonylContact O-C 3.55Å; G108-N163 PolarHBondContact O-N 3.26Å; K141-N163 HydrophobicContact CD-CB 4.48Å; K141-N163 HydrophobicContact CG-CB 4.31Å; D161-N163 VanDerWaalsContact C-N 3.33Å; D161-N163 VanDerWaalsContact OD1-CB 3.27Å; D161-N163 WeakPolarHBondContact OD1-CB 3.36Å; D161-N163 PolarHBondContact OD1-N 3.36Å; D161-N163 PolarHBondContact OD1-ND2 2.94Å; N163-C165 PolarHBondContact O-N 2.98Å; N163-C165 VanDerWaalsContact O-N 3.14Å; N163-C165 PolarHBondContact O-SG 2.84Å
164P98.9Very high98.9Very high10 Ų1019.5 Ų19.57%0.06510%0.096CC..  trans-58.4122.2174.725.2-33.5000110.3A94 L110 G139 I140 K141A94-P164 HydrophobicContact CB-CB 4.15Å; A94-P164 HydrophobicContact CB-CG 4.32Å; L110-P164 HydrophobicContact CB-CB 4.46Å; L110-P164 HydrophobicContact CD2-CB 4.46Å; L110-P164 WeakPolarHBondContact O-CA 3.35Å; G139-P164 WeakPolarHBondContact O-CG 3.48Å; I140-P164 WeakPolarHBondContact CA-O 3.3Å; I140-P164 HydrophobicContact CG2-CB 4.18Å; I140-P164 HydrophobicContact CG2-CG 3.84Å; K141-P164 PolarHBondContact N-O 2.83Å
165C98.9Very high98.8Very high1 Ų126.5 Ų26.51%0.00712%0.122CC..EExtended strand (participates in β ladder)trans-110.6139.2-176.9-700000111.2L110 T111 I112 K141 C158 N163L110-C165 PolarHBondContact O-N 2.98Å; T111-C165 CarbonylContact C-O 3.56Å; T111-C165 WeakPolarHBondContact CA-O 3.45Å; I112-C165 PolarHBondContact N-O 2.72Å; K141-C165 CarbonylContact O-C 3.56Å; K141-C165 WeakPolarHBondContact O-CA 3.12Å; C158-C165 HydrophobicContact CB-CB 3.72Å; N163-C165 PolarHBondContact O-N 2.98Å; N163-C165 VanDerWaalsContact O-N 3.14Å; N163-C165 PolarHBondContact O-SG 2.84Å
166I98.9Very high98.4Very high1 Ų130.1 Ų30.11%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-105.3121.6165.1-53.9177.3000107.8I83 I90 I112 F134 I140 K141 I142 V143 F168I83-I166 HydrophobicContact CD1-CG2 4.35Å; I90-I166 HydrophobicContact CG2-CD1 3.92Å; I112-I166 CarbonylContact O-C 3.57Å; I112-I166 WeakPolarHBondContact O-CA 3.27Å; F134-I166 HydrophobicContact CB-CD1 4.16Å; F134-I166 HydrophobicContact CD1-CD1 3.66Å; F134-I166 HydrophobicContact CD2-CD1 4.11Å; F134-I166 HydrophobicContact CE1-CD1 4.01Å; F134-I166 HydrophobicContact CE2-CD1 4.43Å; F134-I166 HydrophobicContact CG-CD1 3.7Å; F134-I166 HydrophobicContact CZ-CD1 4.38Å; I140-I166 HydrophobicContact CD1-CD1 3.89Å; K141-I166 PolarHBondContact O-N 2.76Å; I142-I166 WeakPolarHBondContact CA-O 3.4Å; V143-I166 PolarHBondContact N-O 3.01Å; I166-F168 HydrophobicContact CG2-CD1 4.28Å; I166-F168 HydrophobicContact CG2-CD2 4.17Å; I166-F168 HydrophobicContact CG2-CE1 3.81Å; I166-F168 HydrophobicContact CG2-CE2 3.69Å; I166-F168 HydrophobicContact CG2-CG 4.43Å; I166-F168 HydrophobicContact CG2-CZ 3.48Å; I166-F168 VanDerWaalsContact CG2-CZ 3.48Å
167F99Very high97.8Very high0 Ų030.7 Ų30.70%016%0.157CC..EExtended strand (participates in β ladder)trans-115108.6179.9-171.5-96.9000110.1I7 T111 I112 R113 A114 V143 P145 A151 L154 L155 E169I7-F167 HydrophobicContact CD1-CE1 3.69Å; I7-F167 HydrophobicContact CD1-CZ 4.37Å; T111-F167 HydrophobicContact CG2-CB 4.4Å; I112-F167 PolarHBondContact O-N 2.91Å; R113-F167 VanDerWaalsContact CA-O 3.25Å; R113-F167 WeakPolarHBondContact CA-O 3.4Å; R113-F167 HydrophobicContact CB-CB 4.3Å; R113-F167 HydrophobicContact CB-CD1 4.46Å; A114-F167 PolarHBondContact N-O 2.74Å; V143-F167 HydrophobicContact CB-CD2 4.02Å; V143-F167 HydrophobicContact CG1-CD2 4Å; V143-F167 HydrophobicContact CG1-CE2 4.03Å; P145-F167 HydrophobicContact CB-CZ 4.29Å; P145-F167 HydrophobicContact CG-CE1 4.18Å; P145-F167 HydrophobicContact CG-CE2 4.24Å; P145-F167 HydrophobicContact CG-CZ 3.59Å; A151-F167 HydrophobicContact CB-CZ 4.45Å; A151-F167 WeakPolarHBondContact O-CZ 3.31Å; L154-F167 HydrophobicContact CB-CE2 3.78Å; L155-F167 HydrophobicContact CB-CD1 4.36Å; L155-F167 HydrophobicContact CB-CD2 4.4Å; L155-F167 HydrophobicContact CB-CE1 3.95Å; L155-F167 HydrophobicContact CB-CE2 4Å; L155-F167 HydrophobicContact CB-CZ 3.74Å; L155-F167 HydrophobicContact CD1-CB 4.27Å; L155-F167 HydrophobicContact CD1-CD1 3.89Å; L155-F167 HydrophobicContact CD1-CD2 4.41Å; L155-F167 HydrophobicContact CD1-CE1 4.3Å; L155-F167 HydrophobicContact CD1-CG 3.93Å; L155-F167 HydrophobicContact CD2-CE1 4.43Å; L155-F167 HydrophobicContact CG-CE1 4.45Å; F167-E169 HydrophobicContact CD1-CG 3.72Å; F167-E169 HydrophobicContact CE1-CG 3.65Å
168F98.9Very high97.5Very high0 Ų035.3 Ų35.30%019%0.185CC..EExtended strand (participates in β ladder)trans-93.7128-179.6-74.8-51.4000110.9A80 I83 A114 W116 P130 E131 F134 I142 V143 I144 P145 I166A80-F168 HydrophobicContact CB-CD1 3.88Å; A80-F168 HydrophobicContact CB-CE1 3.64Å; I83-F168 HydrophobicContact CD1-CE1 4.26Å; I83-F168 HydrophobicContact CD1-CZ 4.39Å; A114-F168 HydrophobicContact CB-CD1 4.1Å; A114-F168 HydrophobicContact CB-CE1 4.16Å; A114-F168 WeakPolarHBondContact O-CA 3.47Å; W116-F168 HydrophobicContact CB-CB 3.56Å; W116-F168 HydrophobicContact CB-CD1 3.94Å; W116-F168 HydrophobicContact CB-CG 3.99Å; W116-F168 AromaticContact CD1-CD1 3.65Å; W116-F168 AromaticContact CD1-CD2 3.75Å; W116-F168 AromaticContact CD1-CG 3.38Å; W116-F168 HydrophobicContact CD2-CB 4.45Å; W116-F168 HydrophobicContact CG-CB 3.62Å; W116-F168 HydrophobicContact CG-CD1 4.15Å; W116-F168 AromaticContact CG-CG 3.89Å; W116-F168 HydrophobicContact CG-CG 3.89Å; P130-F168 HydrophobicContact CG-CE1 4.02Å; P130-F168 HydrophobicContact CG-CE2 4.41Å; P130-F168 HydrophobicContact CG-CZ 3.7Å; E131-F168 HydrophobicContact CB-CD2 4.44Å; E131-F168 HydrophobicContact CB-CE2 4.22Å; F134-F168 HydrophobicContact CD2-CZ 4.18Å; F134-F168 HydrophobicContact CE2-CZ 4.17Å; I142-F168 HydrophobicContact CG2-CD2 4.03Å; I142-F168 HydrophobicContact CG2-CE2 3.96Å; V143-F168 PolarHBondContact O-N 2.82Å; I144-F168 HydrophobicContact CD1-CB 4.37Å; I144-F168 HydrophobicContact CD1-CD2 4.15Å; I144-F168 HydrophobicContact CG1-CB 4.07Å; I144-F168 HydrophobicContact CG1-CD2 4.28Å; I144-F168 HydrophobicContact CG2-CB 4.44Å; P145-F168 WeakPolarHBondContact CD-O 3.19Å; I166-F168 HydrophobicContact CG2-CD1 4.28Å; I166-F168 HydrophobicContact CG2-CD2 4.17Å; I166-F168 HydrophobicContact CG2-CE1 3.81Å; I166-F168 HydrophobicContact CG2-CE2 3.69Å; I166-F168 HydrophobicContact CG2-CG 4.43Å; I166-F168 HydrophobicContact CG2-CZ 3.48Å; I166-F168 VanDerWaalsContact CG2-CZ 3.48Å
169E98.9Very high97.4Very high0 Ų038.7 Ų38.70%020%0.2CC..EExtended strand (participates in β ladder)trans-105.6109.1-175.3-66.7173-161.700109.8I7 R113 A114 P115 W116 F167 K171 Y174I7-E169 HydrophobicContact CD1-CG 3.98Å; I7-E169 HydrophobicContact CG1-CG 4.38Å; R113-E169 IonicContact CZ-OE1 3.2Å; R113-E169 IonicContact NE-OE1 3.35Å; R113-E169 PolarHBondContact NE-OE1 2.94Å; R113-E169 IonicContact NH2-OE1 2.65Å; R113-E169 PolarHBondContact NH2-OE1 3.34Å; R113-E169 IonicContact NH2-OE2 2.72Å; R113-E169 PolarHBondContact NH2-OE2 3.04Å; R113-E169 VanDerWaalsContact NH2-OE2 3.14Å; A114-E169 PolarHBondContact O-N 3.06Å; P115-E169 CarbonylContact C-O 3.6Å; P115-E169 WeakPolarHBondContact CA-O 3.43Å; W116-E169 PolarHBondContact N-O 3.09Å; F167-E169 HydrophobicContact CD1-CG 3.72Å; F167-E169 HydrophobicContact CE1-CG 3.65Å; E169-K171 PolarHBondContact O-N 2.71Å; E169-Y174 HydrophobicContact CB-CE1 3.93Å; E169-Y174 VanDerWaalsContact CB-OH 3.24Å; E169-Y174 WeakPolarHBondContact CB-OH 3.2Å; E169-Y174 VanDerWaalsContact OE2-CE1 3.28Å; E169-Y174 WeakPolarHBondContact OE2-CE1 3.37Å; E169-Y174 VanDerWaalsContact OE2-CZ 3.3Å; E169-Y174 PolarHBondContact OE2-OH 3.4Å
170P98.9Very high97.3Very high0 Ų046.9 Ų46.90%024%0.239CC..EExtended strand (participates in β ladder)trans-61.9104.8-178.4-24.434.6000111.9W116 I144 P145 I172 L173W116-P170 HydrophobicContact CE3-CB 4.22Å; W116-P170 HydrophobicContact CE3-CG 4.15Å; W116-P170 HydrophobicContact CZ3-CG 4.49Å; W116-P170 WeakPolarHBondContact O-CA 3.41Å; I144-P170 HydrophobicContact CG2-CG 4.11Å; P145-P170 WeakPolarHBondContact O-CD 3.43Å; P145-P170 VanDerWaalsContact O-CG 3.23Å; P145-P170 WeakPolarHBondContact O-CG 3.44Å; P170-I172 VanDerWaalsContact C-N 3.31Å; P170-I172 PolarHBondContact O-N 2.92Å; P170-L173 HydrophobicContact CB-CB 4.48Å; P170-L173 HydrophobicContact CB-CD1 3.97Å; P170-L173 HydrophobicContact CB-CG 4.12Å; P170-L173 HydrophobicContact CG-CD1 4.45Å; P170-L173 WeakPolarHBondContact O-CB 3.33Å; P170-L173 PolarHBondContact O-N 2.78Å
171K98.8Very high97.3Very high9 Ų944.4 Ų44.44%0.03923%0.228CC..THydrogen-bonded Turntrans-69-30.6-16370.2-176.273.8101.40113.2F79 D81 P115 W116 G117 V119 H126 E169 L173 Y174F79-K171 HydrophobicContact CD1-CD 4.29Å; F79-K171 HydrophobicContact CE1-CD 4.03Å; D81-K171 IonicContact OD2-NZ 3.65Å; P115-K171 HydrophobicContact CB-CB 4.02Å; W116-K171 PolarHBondContact O-N 3.23Å; G117-K171 PolarHBondContact O-NZ 3.47Å; V119-K171 HydrophobicContact CB-CD 4.19Å; V119-K171 HydrophobicContact CB-CG 4.11Å; V119-K171 HydrophobicContact CG2-CD 4.45Å; V119-K171 HydrophobicContact CG2-CG 4.14Å; H126-K171 PolarHBondContact O-NZ 3.34Å; E169-K171 PolarHBondContact O-N 2.71Å; K171-L173 PolarHBondContact O-N 3.31Å; K171-Y174 VanDerWaalsContact CA-CD2 3.48Å; K171-Y174 HydrophobicContact CB-CD2 3.82Å; K171-Y174 HydrophobicContact CB-CE2 3.66Å; K171-Y174 WeakPolarHBondContact O-CB 3.35Å; K171-Y174 VanDerWaalsContact O-CD2 3.24Å; K171-Y174 WeakPolarHBondContact O-CD2 3.45Å; K171-Y174 PolarHBondContact O-N 3.46Å; K171-Y174 VanDerWaalsContact O-N 3.16Å
172I98.6Very high97.3Very high64 Ų6446.1 Ų46.133%0.32824%0.241SC..THydrogen-bonded Turntrans-59.9-26.3173.2-164.3164.6000112.4C118 P170 A176 T209C118-I172 WeakPolarHBondContact O-CB 3.42Å; P170-I172 VanDerWaalsContact C-N 3.31Å; P170-I172 PolarHBondContact O-N 2.92Å; I172-A176 WeakPolarHBondContact O-CB 3.33Å; I172-T209 HydrophobicContact CG2-CG2 3.89Å; I172-T209 WeakPolarHBondContact CG2-OG1 3.43Å
173L98.5Very high97.2Very high13 Ų1344.2 Ų44.27%0.06824%0.241CC..Hα-helixtrans-86.9-12.1-179.4-59.4-175.3000113.9L3 R146 P170 K171 R175 A176 A177 T209L3-L173 WeakPolarHBondContact CB-O 3.4Å; L3-L173 HydrophobicContact CD1-CB 3.92Å; L3-L173 HydrophobicContact CD1-CD1 4.43Å; R146-L173 WeakPolarHBondContact O-CD1 3.37Å; P170-L173 HydrophobicContact CB-CB 4.48Å; P170-L173 HydrophobicContact CB-CD1 3.97Å; P170-L173 HydrophobicContact CB-CG 4.12Å; P170-L173 HydrophobicContact CG-CD1 4.45Å; P170-L173 WeakPolarHBondContact O-CB 3.33Å; P170-L173 PolarHBondContact O-N 2.78Å; K171-L173 PolarHBondContact O-N 3.31Å; L173-R175 PolarHBondContact O-N 3.22Å; L173-A176 PolarHBondContact O-N 3.47Å; L173-A177 HydrophobicContact CB-CB 4.37Å; L173-A177 PolarHBondContact O-N 2.99Å; L173-T209 HydrophobicContact CD2-CG2 4.27Å
174Y98.6Very high97.2Very high4 Ų448.3 Ų48.32%0.01626%0.258CS..Hα-helixtrans-48.4-43.7-176.4-82.4-43.8000113.2N2 L3 F4 F34 P115 E169 K171N2-Y174 WeakPolarHBondContact CB-O 3.47Å; N2-Y174 PolarHBondContact OD1-O 3.43Å; L3-Y174 HydrophobicContact CD2-CD1 3.44Å; L3-Y174 VanDerWaalsContact CD2-CD1 3.44Å; L3-Y174 HydrophobicContact CD2-CE1 3.6Å; L3-Y174 PolarHBondContact N-O 3.35Å; F4-Y174 HydrophobicContact CB-CD1 3.56Å; F4-Y174 HydrophobicContact CB-CE1 4.24Å; F4-Y174 HydrophobicContact CB-CG 4.12Å; F4-Y174 VanDerWaalsContact CD1-O 3.32Å; F4-Y174 WeakPolarHBondContact CD1-O 3.43Å; F4-Y174 PolarHBondContact N-O 3.47Å; F34-Y174 HydrophobicContact CB-CD2 4Å; F34-Y174 HydrophobicContact CB-CE2 3.72Å; F34-Y174 AromaticContact CD1-CD2 3.47Å; F34-Y174 HydrophobicContact CD1-CD2 3.47Å; F34-Y174 VanDerWaalsContact CD1-CD2 3.47Å; F34-Y174 AromaticContact CD1-CE2 3.59Å; F34-Y174 HydrophobicContact CD1-CE2 3.59Å; F34-Y174 AromaticContact CD2-CE2 3.87Å; F34-Y174 HydrophobicContact CD2-CE2 3.87Å; F34-Y174 HydrophobicContact CE1-CD2 4.06Å; F34-Y174 HydrophobicContact CE1-CE2 4.15Å; F34-Y174 HydrophobicContact CE2-CE2 4.4Å; F34-Y174 AromaticContact CG-CD2 3.77Å; F34-Y174 HydrophobicContact CG-CD2 3.77Å; F34-Y174 AromaticContact CG-CE2 3.43Å; F34-Y174 HydrophobicContact CG-CE2 3.43Å; F34-Y174 VanDerWaalsContact CG-CE2 3.43Å; P115-Y174 HydrophobicContact CB-CE2 4.08Å; P115-Y174 HydrophobicContact CG-CE2 4.28Å; P115-Y174 WeakPolarHBondContact CG-OH 3.14Å; E169-Y174 HydrophobicContact CB-CE1 3.93Å; E169-Y174 VanDerWaalsContact CB-OH 3.24Å; E169-Y174 WeakPolarHBondContact CB-OH 3.2Å; E169-Y174 VanDerWaalsContact OE2-CE1 3.28Å; E169-Y174 WeakPolarHBondContact OE2-CE1 3.37Å; E169-Y174 VanDerWaalsContact OE2-CZ 3.3Å; E169-Y174 PolarHBondContact OE2-OH 3.4Å; K171-Y174 VanDerWaalsContact CA-CD2 3.48Å; K171-Y174 HydrophobicContact CB-CD2 3.82Å; K171-Y174 HydrophobicContact CB-CE2 3.66Å; K171-Y174 WeakPolarHBondContact O-CB 3.35Å; K171-Y174 VanDerWaalsContact O-CD2 3.24Å; K171-Y174 WeakPolarHBondContact O-CD2 3.45Å; K171-Y174 PolarHBondContact O-N 3.46Å; K171-Y174 VanDerWaalsContact O-N 3.16Å
175R97.3Very high97.2Very high147 Ų14750.6 Ų50.656%0.55527%0.273SS*.Hα-helixtrans-112.3-15.7-179.1-62.9179.6-178.2-92.8-1.4113.7F4 L173F4-R175 HydrophobicContact CD1-CG 4.16Å; F4-R175 HydrophobicContact CE1-CG 4.12Å; L173-R175 PolarHBondContact O-N 3.22Å
176A91.1Very high97.2Very high76 Ų7652.8 Ų52.863%0.62828%0.281SS*.Hα-helixtrans-83.4-38-174.500000113.1I172 L173I172-A176 WeakPolarHBondContact O-CB 3.33Å; L173-A176 PolarHBondContact O-N 3.47Å
177A87.1Confident97.2Very high16 Ų1656.7 Ų56.713%0.13230%0.302CS..  trans-92133.2-178.800000110.8N2 P148 L173N2-A177 WeakPolarHBondContact CA-O 3.4Å; N2-A177 WeakPolarHBondContact CB-O 3.42Å; P148-A177 HydrophobicContact CG-CB 4.02Å; L173-A177 HydrophobicContact CB-CB 4.37Å; L173-A177 PolarHBondContact O-N 2.99Å
178V92.6Very high97.1Very high109 Ų10957.5 Ų57.566%0.66131%0.306SS*.BIsolated β-bridgetrans-134124.6174.1-176.80000109.2N2N2-V178 HydrophobicContact CB-CG2 4.09Å
179E95.4Very high97.1Very high70 Ų7061.2 Ų61.233%0.32733%0.33SS..  trans-137165.3-179.8-67.7-179.8172.300111.4M1 S147 P148 V149 V181M1-E179 PolarHBondContact N-O 2.79Å; M1-E179 PolarHBondContact O-N 3.31Å; S147-E179 VanDerWaalsContact CB-OE1 3.27Å; S147-E179 WeakPolarHBondContact CB-OE1 3.02Å; S147-E179 VanDerWaalsContact CB-OE2 3.26Å; S147-E179 WeakPolarHBondContact CB-OE2 3.41Å; S147-E179 PolarHBondContact OG-OE1 3.45Å; S147-E179 PolarHBondContact OG-OE2 2.98Å; P148-E179 HydrophobicContact CB-CB 4.37Å; P148-E179 HydrophobicContact CG-CB 4.31Å; P148-E179 HydrophobicContact CG-CG 4.34Å; V149-E179 HydrophobicContact CG2-CB 3.98Å; V149-E179 WeakPolarHBondContact CG2-OE2 3.05Å; V149-E179 PolarHBondContact N-OE2 2.98Å; E179-V181 PolarHBondContact O-N 2.84Å
180Q97.8Very high97.1Very high181 Ų18162.2 Ų62.285%0.84634%0.336SS*.  trans-74.9112.2167.1-68.7-61.4-23.200108.8V149V149-Q180 WeakPolarHBondContact CG2-O 3.33Å
181V98.5Very high97.1Very high12 Ų1263.6 Ų63.67%0.07335%0.345CS..  trans-115.4125.1-177.2-178.80000108M1 P148 V149 K152 E179 V183M1-V181 HydrophobicContact CB-CB 4.09Å; M1-V181 HydrophobicContact CB-CG2 3.9Å; M1-V181 HydrophobicContact CG-CB 4.13Å; M1-V181 HydrophobicContact CG-CG2 4.49Å; M1-V181 HydrophobicContact SD-CB 3.86Å; M1-V181 HydrophobicContact SD-CG1 3.96Å; P148-V181 HydrophobicContact CB-CG2 3.69Å; V149-V181 HydrophobicContact CG2-CG2 3.84Å; K152-V181 HydrophobicContact CB-CG1 4.16Å; K152-V181 HydrophobicContact CD-CG1 3.73Å; E179-V181 PolarHBondContact O-N 2.84Å; V181-V183 PolarHBondContact O-N 2.82Å
182P98.3Very high97.1Very high67 Ų6767.2 Ų67.244%0.43536%0.362SS..  trans-53.8137.5175.1-26.132.6000112.2K152 Y186K152-P182 PolarHBondContact NZ-O 3.38Å; P182-Y186 HydrophobicContact CB-CD1 3.79Å; P182-Y186 HydrophobicContact CB-CE1 3.71Å; P182-Y186 HydrophobicContact CG-CD1 3.89Å; P182-Y186 HydrophobicContact CG-CE1 3.61Å
183V97.7Very high97.1Very high99 Ų9964.6 Ų64.660%0.635%0.35SS*.SBendtrans-73.3-40.3179.7176.80000111.5M1 N13 K152 V181M1-V183 HydrophobicContact CE-CG2 4.4Å; N13-V183 PolarHBondContact OD1-O 2.81Å; K152-V183 VanDerWaalsContact NZ-C 3.29Å; K152-V183 PolarHBondContact NZ-O 2.67Å; V181-V183 PolarHBondContact O-N 2.82Å
184E98.3Very high97.1Very high136 Ų13666.8 Ų66.864%0.63636%0.36SS*.SBendtrans-72.5158175-66.8-51.9133.600111.9K152K152-E184 WeakPolarHBondContact CE-O 3.23Å; K152-E184 PolarHBondContact NZ-O 2.93Å
185P98.3Very high97.2Very high57 Ų5769.5 Ų69.537%0.3738%0.377SS..  trans-65.9145.3176.627-33.8000111.6N13 L156N13-P185 HydrophobicContact CB-CB 4.09Å; L156-P185 HydrophobicContact CD1-CB 3.78Å
186Y98.8Very high97.2Very high47 Ų4765.1 Ų65.118%0.18436%0.364CS..  trans-149158.9168.561.1-82.3000108.3V149 K152 G153 L156 P182 I188V149-Y186 WeakPolarHBondContact CA-OH 3.39Å; V149-Y186 HydrophobicContact CG1-CE2 4.3Å; V149-Y186 WeakPolarHBondContact CG1-OH 3.43Å; V149-Y186 PolarHBondContact O-OH 3.11Å; K152-Y186 HydrophobicContact CB-CE1 4.41Å; K152-Y186 HydrophobicContact CD-CD1 4.49Å; K152-Y186 HydrophobicContact CD-CE1 3.71Å; K152-Y186 HydrophobicContact CG-CE1 3.85Å; G153-Y186 WeakPolarHBondContact CA-O 3.42Å; L156-Y186 WeakPolarHBondContact CD1-O 3.38Å; P182-Y186 HydrophobicContact CB-CD1 3.79Å; P182-Y186 HydrophobicContact CB-CE1 3.71Å; P182-Y186 HydrophobicContact CG-CD1 3.89Å; P182-Y186 HydrophobicContact CG-CE1 3.61Å; Y186-I188 HydrophobicContact CD2-CG1 4.38Å; Y186-I188 HydrophobicContact CE2-CD1 4.15Å; Y186-I188 HydrophobicContact CE2-CG1 4.27Å
187N98.8Very high97.6Very high83 Ų8364.7 Ų64.744%0.44435%0.349SS..  trans-113.8143.8-178.6-63.490.5000110.1S157 E160S157-N187 WeakPolarHBondContact OG-CA 3.47Å; S157-N187 WeakPolarHBondContact OG-CB 3.49Å; S157-N187 PolarHBondContact OG-ND2 2.93Å; E160-N187 PolarHBondContact OE2-ND2 3.25Å
188I98.8Very high98.1Very high18 Ų1869.3 Ų69.39%0.09238%0.376CS..  trans-114.7126.5165.9-68.7171.9000106G153 L154 S157 Y186 L190G153-I188 PolarHBondContact O-N 3.33Å; L154-I188 HydrophobicContact CD2-CB 3.96Å; L154-I188 HydrophobicContact CD2-CG2 3.55Å; L154-I188 HydrophobicContact CG-CB 4.04Å; L154-I188 HydrophobicContact CG-CG2 3.91Å; S157-I188 VanDerWaalsContact CB-O 3.3Å; S157-I188 WeakPolarHBondContact CB-O 3.26Å; S157-I188 PolarHBondContact OG-N 3.44Å; S157-I188 PolarHBondContact OG-O 3.37Å; Y186-I188 HydrophobicContact CD2-CG1 4.38Å; Y186-I188 HydrophobicContact CE2-CD1 4.15Å; Y186-I188 HydrophobicContact CE2-CG1 4.27Å; I188-L190 PolarHBondContact O-N 3.18Å
189P98.7Very high98.4Very high77 Ų7764.5 Ų64.550%0.535%0.349SS..  trans-61.7136.9-174.325.8-34.7000111.5Q192P189-Q192 HydrophobicContact CB-CB 4.36Å; P189-Q192 HydrophobicContact CB-CG 3.88Å; P189-Q192 HydrophobicContact CG-CB 4.05Å; P189-Q192 HydrophobicContact CG-CG 3.88Å
190L98.9Very high98.5Very high22 Ų2264.2 Ų64.212%0.11535%0.354CS..THydrogen-bonded Turntrans-73.2159.7168.7-52.2-173000109.7K141 V143 L154 D161 I188 Q192K141-L190 HydrophobicContact CD-CD1 3.83Å; V143-L190 HydrophobicContact CG1-CD2 4.2Å; V143-L190 HydrophobicContact CG2-CD1 4.47Å; V143-L190 HydrophobicContact CG2-CD2 3.86Å; L154-L190 HydrophobicContact CD2-CD2 3.96Å; D161-L190 HydrophobicContact CB-CD1 4.17Å; I188-L190 PolarHBondContact O-N 3.18Å; L190-Q192 PolarHBondContact O-N 3.44Å
191S98.7Very high98.6Very high29 Ų2958.1 Ų58.120%0.20333%0.328CS..THydrogen-bonded Turntrans57.233.8-179.9-56.20000113.5T236 P239S191-T236 PolarHBondContact N-OG1 3.47Å; S191-P239 WeakPolarHBondContact CA-O 3.43Å; S191-P239 WeakPolarHBondContact CB-O 3.21Å; S191-P239 WeakPolarHBondContact OG-CD 3.39Å; S191-P239 PolarHBondContact OG-O 2.99Å
192Q98.8Very high98.6Very high85 Ų8557.6 Ų57.640%0.39732%0.324SS..  trans-132125.9174.7-71.2-69.6-72.800107.9P189 L190 R235 D241P189-Q192 HydrophobicContact CB-CB 4.36Å; P189-Q192 HydrophobicContact CB-CG 3.88Å; P189-Q192 HydrophobicContact CG-CB 4.05Å; P189-Q192 HydrophobicContact CG-CG 3.88Å; L190-Q192 PolarHBondContact O-N 3.44Å; Q192-R235 VanDerWaalsContact C-NH2 3.34Å; Q192-R235 VanDerWaalsContact CB-NH2 3.33Å; Q192-R235 PolarHBondContact O-NE 3.48Å; Q192-R235 PolarHBondContact O-NH2 2.95Å; Q192-D241 WeakPolarHBondContact CA-OD2 3.29Å
193A98.8Very high98.6Very high9 Ų954.4 Ų54.47%0.07430%0.303CS..  trans-80.5170169.200000110.2I232 D233 L234 R235 D241 T244A193-I232 HydrophobicContact CB-CG2 3.78Å; A193-D233 CarbonylContact C-O 3.59Å; A193-D233 WeakPolarHBondContact CA-O 3.32Å; A193-D233 WeakPolarHBondContact CB-O 3.44Å; A193-L234 HydrophobicContact CB-CD1 4.37Å; A193-R235 PolarHBondContact O-NH2 2.74Å; A193-D241 HydrophobicContact CB-CB 3.93Å; A193-D241 VanDerWaalsContact N-CB 3.34Å; A193-D241 PolarHBondContact N-OD2 3.23Å; A193-T244 HydrophobicContact CB-CG2 3.9Å
194E98.9Very high98.7Very high59 Ų5949.7 Ų49.728%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-130.2121.7175.8-169.4-173.4167.500110.1R146 Q150 L196 I232 D233 R235R146-E194 IonicContact CZ-OE2 3.11Å; R146-E194 VanDerWaalsContact CZ-OE2 3.28Å; R146-E194 IonicContact NH1-OE2 2.9Å; R146-E194 PolarHBondContact NH1-OE2 3.28Å; R146-E194 VanDerWaalsContact NH2-CD 3.33Å; R146-E194 IonicContact NH2-OE1 3.21Å; R146-E194 PolarHBondContact NH2-OE1 2.96Å; R146-E194 VanDerWaalsContact NH2-OE1 3.11Å; R146-E194 IonicContact NH2-OE2 2.73Å; R146-E194 PolarHBondContact NH2-OE2 2.88Å; Q150-E194 PolarHBondContact NE2-OE2 3.5Å; E194-L196 HydrophobicContact CB-CD2 4.19Å; E194-L196 HydrophobicContact CG-CD2 3.69Å; E194-L196 PolarHBondContact O-N 2.67Å; E194-L196 WeakPolarHBondContact OE1-CD2 3.46Å; E194-I232 WeakPolarHBondContact O-CA 3.26Å; E194-D233 PolarHBondContact N-O 3.09Å; E194-D233 PolarHBondContact O-N 3.14Å; E194-R235 IonicContact OE2-NH1 3.91Å
195V98.8Very high98.7Very high61 Ų6143.2 Ų43.237%0.3725%0.245SC..EExtended strand (participates in β ladder)trans-80.4106.8171.2-175.50000108.4T198 E230 I232 T244V195-T198 HydrophobicContact CG1-CG2 4.29Å; V195-E230 HydrophobicContact CG1-CG 3.92Å; V195-I232 HydrophobicContact CG2-CD1 4.38Å; V195-I232 HydrophobicContact CG2-CG1 4.22Å; V195-T244 HydrophobicContact CG2-CG2 3.96Å
196L98.4Very high98.8Very high55 Ų5540.5 Ų40.529%0.28823%0.227SC..EExtended strand (participates in β ladder)trans-85.3-30.4-175.1-57.5-176.6000113.2E194 V211 V231 D233E194-L196 HydrophobicContact CB-CD2 4.19Å; E194-L196 HydrophobicContact CG-CD2 3.69Å; E194-L196 PolarHBondContact O-N 2.67Å; E194-L196 WeakPolarHBondContact OE1-CD2 3.46Å; L196-V211 HydrophobicContact CD1-CG1 3.4Å; L196-V231 HydrophobicContact CB-CG1 4.47Å; L196-V231 HydrophobicContact CD1-CG1 4.46Å; L196-V231 PolarHBondContact N-O 3.28Å; L196-D233 HydrophobicContact CD1-CB 4.07Å; L196-D233 HydrophobicContact CG-CB 4.37Å
197Q98.5Very high98.8Very high67 Ų6738.2 Ų38.231%0.31322%0.218SC..EExtended strand (participates in β ladder)trans-143.5128.6179-179.2-178.7-58.400106.9C229 E230 V231Q197-C229 PolarHBondContact NE2-O 3.21Å; Q197-E230 CarbonylContact O-C 3.56Å; Q197-E230 WeakPolarHBondContact O-CA 3.5Å; Q197-V231 HydrophobicContact CB-CB 4.06Å; Q197-V231 HydrophobicContact CB-CG2 4.12Å; Q197-V231 PolarHBondContact O-N 3.2Å
198T98.5Very high98.8Very high112 Ų11234.3 Ų34.369%0.68720%0.197SC*.  trans-80.5145.4175.653.70000110.6V195 E230V195-T198 HydrophobicContact CG1-CG2 4.29Å; T198-E230 VanDerWaalsContact CA-OE2 3.25Å; T198-E230 WeakPolarHBondContact CA-OE2 3.23Å
199G98.5Very high98.8Very high9 Ų934.5 Ų34.59%0.09320%0.199CC..  trans-152.7174.4175.300000113.3S228 E230 K251G199-S228 VanDerWaalsContact CA-OG 3.28Å; G199-S228 WeakPolarHBondContact CA-OG 3.33Å; G199-E230 PolarHBondContact N-OE2 3.16Å; G199-E230 VanDerWaalsContact N-OE2 3.12Å; G199-K251 WeakPolarHBondContact O-CE 3.35Å; G199-K251 PolarHBondContact O-NZ 3.45Å
200S98.7Very high98.8Very high64 Ų6431.2 Ų31.245%0.44818%0.177SC..SBendtrans-123.2-19.8-174.357.40000115.5S228 T252S200-S228 PolarHBondContact N-O 3.39Å; S200-S228 PolarHBondContact N-OG 3.2Å; S200-S228 WeakPolarHBondContact OG-CB 3.49Å; S200-T252 WeakPolarHBondContact O-CA 3.3Å
201D98.8Very high98.8Very high53 Ų5330.2 Ų30.228%0.28317%0.172SC..SBendtrans-107.5-28.2-165.7-53.7-20.1000112.9V227 S228 R254D201-V227 HydrophobicContact CB-CG1 3.92Å; D201-S228 WeakPolarHBondContact CB-O 3.21Å; D201-S228 PolarHBondContact N-O 3.44Å; D201-S228 WeakPolarHBondContact OD2-CB 3.24Å; D201-S228 PolarHBondContact OD2-N 2.89Å; D201-R254 PolarHBondContact O-NH1 2.65Å; D201-R254 VanDerWaalsContact O-NH1 3.07Å
202V98.9Very high98.8Very high0 Ų032.5 Ų32.50%018%0.18CC..EExtended strand (participates in β ladder)trans-156145.7-179.662.70000111.9L204 V227 S228 C229 E230 R254 L316 M319 I320V202-L204 HydrophobicContact CG1-CD2 4.46Å; V202-L204 HydrophobicContact CG2-CD2 4.05Å; V202-V227 HydrophobicContact CG1-CG1 3.95Å; V202-S228 PolarHBondContact N-O 3.02Å; V202-C229 HydrophobicContact CG1-CB 3.9Å; V202-C229 WeakPolarHBondContact CG1-SG 3.47Å; V202-E230 PolarHBondContact O-N 3.37Å; V202-R254 HydrophobicContact CB-CB 4.25Å; V202-R254 HydrophobicContact CG2-CB 3.98Å; V202-L316 HydrophobicContact CB-CD1 4.11Å; V202-L316 HydrophobicContact CG1-CD1 3.78Å; V202-L316 HydrophobicContact CG2-CD1 3.74Å; V202-M319 HydrophobicContact CB-CE 4.47Å; V202-M319 HydrophobicContact CG2-CE 3.28Å; V202-I320 HydrophobicContact CB-CD1 4.35Å
203T98.9Very high98.8Very high0 Ų029.9 Ų29.90%017%0.169CC..EExtended strand (participates in β ladder)trans-100.2130.5170.1-60.20000111V205 I232 S248 V249 T252 R254 L255 L256T203-V205 HydrophobicContact CG2-CG2 3.99Å; T203-I232 HydrophobicContact CG2-CD1 3.81Å; T203-I232 HydrophobicContact CG2-CG1 4.39Å; T203-S248 WeakPolarHBondContact CB-OG 3.37Å; T203-S248 WeakPolarHBondContact CG2-OG 3.39Å; T203-S248 PolarHBondContact OG1-O 2.72Å; T203-S248 PolarHBondContact OG1-OG 3.45Å; T203-V249 HydrophobicContact CG2-CG2 4.23Å; T203-T252 PolarHBondContact N-OG1 2.74Å; T203-T252 WeakPolarHBondContact OG1-CG2 3.44Å; T203-T252 PolarHBondContact OG1-OG1 3.5Å; T203-R254 WeakPolarHBondContact CB-O 3.09Å; T203-R254 PolarHBondContact N-O 3.45Å; T203-L255 HydrophobicContact CG2-CD1 3.82Å; T203-L255 WeakPolarHBondContact O-CA 3.39Å; T203-L256 PolarHBondContact O-N 3.14Å
204L98.9Very high98.8Very high0 Ų029.4 Ų29.40%017%0.165CC..EExtended strand (participates in β ladder)trans-113.6124.4174.2-51.8-177.3000109.3V202 I214 V217 A218 C229 E230 V231 I232 L256 L316V202-L204 HydrophobicContact CG1-CD2 4.46Å; V202-L204 HydrophobicContact CG2-CD2 4.05Å; L204-I214 HydrophobicContact CB-CB 4.18Å; L204-I214 HydrophobicContact CB-CD1 4.01Å; L204-I214 HydrophobicContact CD1-CB 4.28Å; L204-V217 HydrophobicContact CD1-CG1 4.32Å; L204-A218 HydrophobicContact CD1-CB 4.2Å; L204-C229 HydrophobicContact CD1-CB 3.9Å; L204-C229 HydrophobicContact CG-CB 4.24Å; L204-E230 PolarHBondContact N-O 3.25Å; L204-V231 HydrophobicContact CD1-CG2 4.47Å; L204-I232 PolarHBondContact O-N 3.26Å; L204-L256 WeakPolarHBondContact CA-O 3.41Å; L204-L256 HydrophobicContact CD2-CB 3.81Å; L204-L256 HydrophobicContact CD2-CD2 4.38Å; L204-L316 HydrophobicContact CD2-CD1 4.48Å
205V98.9Very high98.8Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-120.7131.4-180-179.70000110.4T203 I232 L234 V245 L255 L256 I257 S258 I271T203-V205 HydrophobicContact CG2-CG2 3.99Å; V205-I232 HydrophobicContact CG2-CB 4.18Å; V205-L234 HydrophobicContact CG1-CB 4.3Å; V205-V245 HydrophobicContact CG2-CG1 4.15Å; V205-V245 HydrophobicContact CG2-CG2 4.37Å; V205-L255 HydrophobicContact CB-CD1 4.41Å; V205-L255 HydrophobicContact CG2-CD1 3.65Å; V205-L256 PolarHBondContact N-O 3.27Å; V205-I257 WeakPolarHBondContact O-CA 3.47Å; V205-S258 PolarHBondContact O-N 3.31Å; V205-I271 HydrophobicContact CG1-CD1 4.43Å
206A98.9Very high98.8Very high0 Ų033.2 Ų33.20%018%0.177CC..EExtended strand (participates in β ladder)trans-153.1-178.8171.100000111Q210 V211 I214 I232 D233 L234 S258A206-Q210 HydrophobicContact CB-CB 3.98Å; A206-Q210 HydrophobicContact CB-CG 3.92Å; A206-V211 HydrophobicContact CB-CG2 4.21Å; A206-I214 HydrophobicContact CB-CD1 3.46Å; A206-I214 VanDerWaalsContact CB-CD1 3.46Å; A206-I214 HydrophobicContact CB-CG1 3.93Å; A206-I214 HydrophobicContact CB-CG2 4.25Å; A206-I232 PolarHBondContact N-O 2.78Å; A206-D233 WeakPolarHBondContact O-CA 3.45Å; A206-L234 PolarHBondContact O-N 3.24Å; A206-S258 WeakPolarHBondContact CA-O 3.47Å; A206-S258 VanDerWaalsContact CB-O 3.31Å; A206-S258 WeakPolarHBondContact CB-O 3.35Å
207W98.9Very high98.8Very high0 Ų030.6 Ų30.60%016%0.164CC..  trans-145.6164.5172.846.789.4000110.5E131 Q210 L234 I237 I257 H259 F267 I271E131-W207 PolarHBondContact OE1-NE1 3.14Å; W207-Q210 WeakPolarHBondContact O-CB 3.4Å; W207-Q210 PolarHBondContact O-N 3.23Å; W207-L234 HydrophobicContact CB-CB 4.48Å; W207-L234 HydrophobicContact CE3-CB 3.86Å; W207-L234 HydrophobicContact CE3-CD2 3.59Å; W207-L234 HydrophobicContact CE3-CG 4.38Å; W207-L234 HydrophobicContact CZ3-CD2 3.64Å; W207-I237 HydrophobicContact CB-CD1 4.46Å; W207-I237 HydrophobicContact CD2-CD1 3.53Å; W207-I237 HydrophobicContact CE3-CD1 4.02Å; W207-I237 HydrophobicContact CG-CD1 3.76Å; W207-I237 HydrophobicContact CZ2-CD1 4.1Å; W207-I257 HydrophobicContact CH2-CG2 4.46Å; W207-I257 HydrophobicContact CZ3-CG2 4.31Å; W207-H259 HydrophobicContact CH2-CB 4.01Å; W207-H259 HydrophobicContact CZ2-CB 3.4Å; W207-H259 VanDerWaalsContact CZ2-CB 3.4Å; W207-H259 AromaticContact CZ2-CG 3.67Å; W207-H259 AromaticContact CZ2-ND1 3.66Å; W207-F267 HydrophobicContact CH2-CB 4.03Å; W207-F267 AromaticContact CH2-CD1 3.79Å; W207-F267 HydrophobicContact CH2-CD1 3.79Å; W207-F267 HydrophobicContact CH2-CG 4.41Å; W207-F267 HydrophobicContact CZ2-CB 3.98Å; W207-F267 HydrophobicContact CZ2-CD1 4.26Å; W207-F267 HydrophobicContact CZ3-CD1 4.26Å; W207-I271 HydrophobicContact CH2-CD1 3.92Å; W207-I271 HydrophobicContact CZ3-CD1 3.52Å
208G98.8Very high98.8Very high0 Ų027.5 Ų27.50%015%0.149CC..THydrogen-bonded Turntrans60.4-139.5179.500000113R146 Q210 V211R146-G208 WeakPolarHBondContact CB-O 3.22Å; G208-Q210 PolarHBondContact O-N 3.38Å; G208-V211 PolarHBondContact O-N 2.88Å
209T98.8Very high98.8Very high23 Ų2325.1 Ų25.114%0.14114%0.135CC..THydrogen-bonded Turntrans-61.8-31.8179.6-47.30000112.3I172 L173 V211 H212I172-T209 HydrophobicContact CG2-CG2 3.89Å; I172-T209 WeakPolarHBondContact CG2-OG1 3.43Å; L173-T209 HydrophobicContact CD2-CG2 4.27Å; T209-V211 PolarHBondContact O-N 2.97Å; T209-V211 VanDerWaalsContact O-N 3.12Å; T209-H212 WeakPolarHBondContact O-CB 3.34Å; T209-H212 PolarHBondContact O-CD2 3.45Å; T209-H212 PolarHBondContact O-N 3.16Å
210Q98.9Very high98.8Very high7 Ų725.3 Ų25.33%0.03313%0.133CC..Hα-helixtrans-64.7-19.6-175.2-16563.39.800113.2A206 W207 G208 H212 V213 I214 S258 P307A206-Q210 HydrophobicContact CB-CB 3.98Å; A206-Q210 HydrophobicContact CB-CG 3.92Å; W207-Q210 WeakPolarHBondContact O-CB 3.4Å; W207-Q210 PolarHBondContact O-N 3.23Å; G208-Q210 PolarHBondContact O-N 3.38Å; Q210-H212 VanDerWaalsContact C-N 3.28Å; Q210-H212 PolarHBondContact O-N 3.37Å; Q210-V213 WeakPolarHBondContact O-CB 3.32Å; Q210-V213 PolarHBondContact O-N 3.49Å; Q210-V213 VanDerWaalsContact O-N 3.16Å; Q210-I214 PolarHBondContact O-N 3.13Å; Q210-S258 PolarHBondContact NE2-OG 3.09Å; Q210-P307 PolarHBondContact NE2-O 3.13Å
211V98.9Very high98.8Very high1 Ų122.2 Ų22.21%0.00611%0.112CC..Hα-helixtrans-60-39.3170.9178.80000111.8R146 L196 A206 G208 T209 V213 I214 K215 D233R146-V211 HydrophobicContact CB-CB 4.19Å; R146-V211 HydrophobicContact CB-CG2 4.21Å; L196-V211 HydrophobicContact CD1-CG1 3.4Å; A206-V211 HydrophobicContact CB-CG2 4.21Å; G208-V211 PolarHBondContact O-N 2.88Å; T209-V211 PolarHBondContact O-N 2.97Å; T209-V211 VanDerWaalsContact O-N 3.12Å; V211-V213 VanDerWaalsContact C-N 3.29Å; V211-V213 PolarHBondContact O-N 3.44Å; V211-I214 VanDerWaalsContact O-CG1 3.3Å; V211-I214 WeakPolarHBondContact O-CG1 3.46Å; V211-I214 PolarHBondContact O-N 2.87Å; V211-K215 WeakPolarHBondContact O-CB 3.4Å; V211-K215 PolarHBondContact O-N 3.35Å; V211-D233 HydrophobicContact CG1-CB 4.18Å; V211-D233 HydrophobicContact CG2-CB 3.9Å
212H98.7Very high98.8Very high78 Ų7824.6 Ų24.636%0.36112%0.121SC..Hα-helixtrans-67.5-34.3177.6-58-66.8000111.3R146 T209 Q210 K215 E216R146-H212 PolarHBondContact O-NE2 2.91Å; T209-H212 WeakPolarHBondContact O-CB 3.34Å; T209-H212 PolarHBondContact O-CD2 3.45Å; T209-H212 PolarHBondContact O-N 3.16Å; Q210-H212 VanDerWaalsContact C-N 3.28Å; Q210-H212 PolarHBondContact O-N 3.37Å; H212-K215 PolarHBondContact O-N 3Å; H212-E216 PolarHBondContact O-N 2.87Å; H212-E216 VanDerWaalsContact O-N 3.12Å
213V98.9Very high98.8Very high29 Ų2931.4 Ų31.418%0.17615%0.153CC..Hα-helixtrans-64.2-51.9175.3178.20000110.8Q210 V211 K215 E216 V217 K309Q210-V213 WeakPolarHBondContact O-CB 3.32Å; Q210-V213 PolarHBondContact O-N 3.49Å; Q210-V213 VanDerWaalsContact O-N 3.16Å; V211-V213 VanDerWaalsContact C-N 3.29Å; V211-V213 PolarHBondContact O-N 3.44Å; V213-K215 VanDerWaalsContact C-N 3.26Å; V213-K215 PolarHBondContact O-N 2.8Å; V213-E216 PolarHBondContact O-N 3.2Å; V213-E216 VanDerWaalsContact O-N 3.15Å; V213-V217 VanDerWaalsContact O-CG2 3.3Å; V213-V217 WeakPolarHBondContact O-CG2 3.47Å; V213-V217 PolarHBondContact O-N 3.09Å; V213-K309 HydrophobicContact CG1-CB 4.07Å
214I98.9Very high98.8Very high0 Ų037 Ų370%018%0.178CC..Hα-helixtrans-68.8-25.9-179.360.1165.2000112.8L204 A206 Q210 V211 V217 A218 V231L204-I214 HydrophobicContact CB-CB 4.18Å; L204-I214 HydrophobicContact CB-CD1 4.01Å; L204-I214 HydrophobicContact CD1-CB 4.28Å; A206-I214 HydrophobicContact CB-CD1 3.46Å; A206-I214 VanDerWaalsContact CB-CD1 3.46Å; A206-I214 HydrophobicContact CB-CG1 3.93Å; A206-I214 HydrophobicContact CB-CG2 4.25Å; Q210-I214 PolarHBondContact O-N 3.13Å; V211-I214 VanDerWaalsContact O-CG1 3.3Å; V211-I214 WeakPolarHBondContact O-CG1 3.46Å; V211-I214 PolarHBondContact O-N 2.87Å; I214-V217 PolarHBondContact O-N 3.41Å; I214-A218 WeakPolarHBondContact O-CB 3.3Å; I214-A218 PolarHBondContact O-N 2.89Å; I214-V231 HydrophobicContact CD1-CG1 3.85Å; I214-V231 HydrophobicContact CG1-CG1 4.03Å
215K98.8Very high98.7Very high112 Ų11240.1 Ų40.149%0.48719%0.194SC..Hα-helixtrans-65.8-42.2170.7-171.2176.6-179.9178.60111.6V211 H212 V213 A218 T219V211-K215 WeakPolarHBondContact O-CB 3.4Å; V211-K215 PolarHBondContact O-N 3.35Å; H212-K215 PolarHBondContact O-N 3Å; V213-K215 VanDerWaalsContact C-N 3.26Å; V213-K215 PolarHBondContact O-N 2.8Å; K215-A218 WeakPolarHBondContact O-CB 3.44Å; K215-A218 PolarHBondContact O-N 2.7Å; K215-T219 PolarHBondContact O-N 2.99Å; K215-T219 PolarHBondContact O-OG1 2.86Å
216E98.8Very high98.7Very high87 Ų8742.5 Ų42.541%0.40722%0.219SC..Hα-helixtrans-66.2-38.6173.7-168.1176.5-179.700111.6H212 V213 A218 T219 M220 K309H212-E216 PolarHBondContact O-N 2.87Å; H212-E216 VanDerWaalsContact O-N 3.12Å; V213-E216 PolarHBondContact O-N 3.2Å; V213-E216 VanDerWaalsContact O-N 3.15Å; E216-A218 VanDerWaalsContact C-N 3.32Å; E216-A218 PolarHBondContact O-N 3.11Å; E216-T219 WeakPolarHBondContact O-CB 3.41Å; E216-T219 PolarHBondContact O-N 3.37Å; E216-M220 HydrophobicContact CG-SD 4.39Å; E216-M220 WeakPolarHBondContact O-CG 3.38Å; E216-M220 PolarHBondContact O-N 3.04Å; E216-K309 HydrophobicContact CG-CD 4.17Å; E216-K309 WeakPolarHBondContact OE1-CD 3.31Å; E216-K309 IonicContact OE1-NZ 2.6Å; E216-K309 PolarHBondContact OE1-NZ 2.93Å; E216-K309 WeakPolarHBondContact OE2-CD 3.38Å; E216-K309 IonicContact OE2-NZ 2.6Å; E216-K309 PolarHBondContact OE2-NZ 3.38Å
217V98.9Very high98.7Very high1 Ų143 Ų431%0.00622%0.221CC..Hα-helixtrans-60.6-41.2174.2173.80000111.4L204 V213 I214 T219 M220 A221 K309 C312 L316L204-V217 HydrophobicContact CD1-CG1 4.32Å; V213-V217 VanDerWaalsContact O-CG2 3.3Å; V213-V217 WeakPolarHBondContact O-CG2 3.47Å; V213-V217 PolarHBondContact O-N 3.09Å; I214-V217 PolarHBondContact O-N 3.41Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.84Å; V217-M220 PolarHBondContact O-N 2.66Å; V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 2.94Å; V217-K309 HydrophobicContact CG2-CB 3.97Å; V217-K309 WeakPolarHBondContact CG2-O 3.45Å; V217-C312 HydrophobicContact CG1-CB 4.38Å; V217-C312 HydrophobicContact CG2-CB 3.53Å; V217-L316 HydrophobicContact CG1-CD2 3.84Å
218A98.8Very high98.7Very high1 Ų144.3 Ų44.31%0.00823%0.231CC..Hα-helixtrans-59.5-42.817500000111.9L204 I214 K215 E216 A221 Q222 C229 V231L204-A218 HydrophobicContact CD1-CB 4.2Å; I214-A218 WeakPolarHBondContact O-CB 3.3Å; I214-A218 PolarHBondContact O-N 2.89Å; K215-A218 WeakPolarHBondContact O-CB 3.44Å; K215-A218 PolarHBondContact O-N 2.7Å; E216-A218 VanDerWaalsContact C-N 3.32Å; E216-A218 PolarHBondContact O-N 3.11Å; A218-A221 PolarHBondContact O-N 3.11Å; A218-Q222 PolarHBondContact O-N 2.93Å; A218-C229 HydrophobicContact CB-CB 3.62Å; A218-V231 HydrophobicContact CB-CG2 3.61Å
219T98.7Very high98.7Very high63 Ų6344.4 Ų44.439%0.38723%0.231SC..Hα-helixtrans-61.8-48173.1-55.70000111.5K215 E216 V217 A221 Q222 E223K215-T219 PolarHBondContact O-N 2.99Å; K215-T219 PolarHBondContact O-OG1 2.86Å; E216-T219 WeakPolarHBondContact O-CB 3.41Å; E216-T219 PolarHBondContact O-N 3.37Å; V217-T219 VanDerWaalsContact C-N 3.33Å; V217-T219 PolarHBondContact O-N 2.84Å; T219-A221 VanDerWaalsContact C-N 3.31Å; T219-A221 PolarHBondContact O-N 2.84Å; T219-Q222 PolarHBondContact O-N 2.86Å; T219-E223 HydrophobicContact CG2-CG 4.42Å; T219-E223 WeakPolarHBondContact CG2-OE1 3.43Å; T219-E223 WeakPolarHBondContact O-CG 3.06Å; T219-E223 PolarHBondContact O-N 2.97Å
220M98.8Very high98.7Very high12 Ų1243.7 Ų43.76%0.05923%0.226CC..Hα-helixtrans-60.4-39.6178.4-67.5168.160.500112.4E216 V217 K224 K309 W310 Y313E216-M220 HydrophobicContact CG-SD 4.39Å; E216-M220 WeakPolarHBondContact O-CG 3.38Å; E216-M220 PolarHBondContact O-N 3.04Å; V217-M220 PolarHBondContact O-N 2.66Å; M220-K224 VanDerWaalsContact O-CB 3.22Å; M220-K224 WeakPolarHBondContact O-CB 3.43Å; M220-K224 WeakPolarHBondContact O-CG 3.44Å; M220-K224 PolarHBondContact O-N 3.2Å; M220-K309 HydrophobicContact SD-CB 4.26Å; M220-K309 HydrophobicContact SD-CD 4.14Å; M220-K309 HydrophobicContact SD-CG 4.25Å; M220-W310 HydrophobicContact CE-CD2 4.33Å; M220-W310 HydrophobicContact CE-CE3 3.49Å; M220-W310 VanDerWaalsContact CE-CE3 3.49Å; M220-W310 HydrophobicContact CE-CH2 3.94Å; M220-W310 HydrophobicContact CE-CZ3 3.26Å; M220-Y313 HydrophobicContact CB-CD2 3.78Å; M220-Y313 HydrophobicContact CB-CE2 4.04Å; M220-Y313 HydrophobicContact CE-CD1 4.15Å; M220-Y313 HydrophobicContact CE-CD2 3.93Å; M220-Y313 HydrophobicContact CE-CG 3.67Å
221A98.7Very high98.7Very high0 Ų043.3 Ų43.30%023%0.225CC..Hα-helixtrans-65.8-43.6178.400000111.7V217 A218 T219 L225 G226 V227 C229 L316V217-A221 WeakPolarHBondContact O-CB 3.38Å; V217-A221 PolarHBondContact O-N 2.94Å; A218-A221 PolarHBondContact O-N 3.11Å; T219-A221 VanDerWaalsContact C-N 3.31Å; T219-A221 PolarHBondContact O-N 2.84Å; A221-L225 CarbonylContact O-C 3.58Å; A221-L225 WeakPolarHBondContact O-CA 3.26Å; A221-L225 WeakPolarHBondContact O-CB 3.48Å; A221-L225 PolarHBondContact O-N 3.03Å; A221-G226 PolarHBondContact O-N 2.97Å; A221-G226 VanDerWaalsContact O-N 3.08Å; A221-V227 HydrophobicContact CB-CB 4.21Å; A221-V227 PolarHBondContact O-N 3.28Å; A221-C229 VanDerWaalsContact CB-SG 3.58Å; A221-L316 HydrophobicContact CB-CD2 3.56Å
222Q98.4Very high98.7Very high102 Ų10243.3 Ų43.348%0.47722%0.224SC..Hα-helixtrans-62.5-45.6175.5-178.860.166.600111.8A218 T219 G226 V227A218-Q222 PolarHBondContact O-N 2.93Å; T219-Q222 PolarHBondContact O-N 2.86Å; Q222-G226 WeakPolarHBondContact O-CA 3.25Å; Q222-G226 PolarHBondContact O-N 2.88Å; Q222-V227 WeakPolarHBondContact CA-O 3.5Å; Q222-V227 PolarHBondContact N-O 2.95Å
223E98.4Very high98.7Very high144 Ų14439.6 Ų39.667%0.67321%0.207SC*.Hα-helixtrans-72.3-39.4-176.6-71.9176.9177.300113.5T219T219-E223 HydrophobicContact CG2-CG 4.42Å; T219-E223 WeakPolarHBondContact CG2-OE1 3.43Å; T219-E223 WeakPolarHBondContact O-CG 3.06Å; T219-E223 PolarHBondContact O-N 2.97Å
224K98.4Very high98.7Very high118 Ų11838.2 Ų38.251%0.51320%0.199SC..Hα-helixtrans-99.4-27.7-170.1-61.4177-174.4-67.90113.7M220 Y313M220-K224 VanDerWaalsContact O-CB 3.22Å; M220-K224 WeakPolarHBondContact O-CB 3.43Å; M220-K224 WeakPolarHBondContact O-CG 3.44Å; M220-K224 PolarHBondContact O-N 3.2Å; K224-Y313 HydrophobicContact CB-CE2 4.35Å; K224-Y313 WeakPolarHBondContact CB-OH 3.06Å; K224-Y313 HydrophobicContact CD-CE1 4.47Å; K224-Y313 HydrophobicContact CD-CE2 4.12Å; K224-Y313 WeakPolarHBondContact CD-OH 3.06Å
225L98Very high98.7Very high65 Ų6539.2 Ų39.234%0.3420%0.203SC..Hα-helixtrans-121.7-11.1-174.5-53.3175.9000112.7A221 V227 Y313 R317A221-L225 CarbonylContact O-C 3.58Å; A221-L225 WeakPolarHBondContact O-CA 3.26Å; A221-L225 WeakPolarHBondContact O-CB 3.48Å; A221-L225 PolarHBondContact O-N 3.03Å; L225-V227 HydrophobicContact CB-CB 4.34Å; L225-V227 HydrophobicContact CB-CG2 3.66Å; L225-V227 PolarHBondContact O-N 2.53Å; L225-Y313 HydrophobicContact CD1-CE2 4.01Å; L225-Y313 HydrophobicContact CG-CE2 4.3Å; L225-R317 HydrophobicContact CD1-CB 4.07Å; L225-R317 HydrophobicContact CD1-CG 4.1Å; L225-R317 HydrophobicContact CD2-CG 4.36Å
226G98.3Very high98.7Very high50 Ų5033.9 Ų33.952%0.51518%0.179SC..  trans69.421.4-173.300000113.7A221 Q222A221-G226 PolarHBondContact O-N 2.97Å; A221-G226 VanDerWaalsContact O-N 3.08Å; Q222-G226 WeakPolarHBondContact O-CA 3.25Å; Q222-G226 PolarHBondContact O-N 2.88Å
227V98.6Very high98.7Very high9 Ų929.7 Ų29.76%0.05516%0.16CC..  trans-93.4127.8-173.7172.40000111.2D201 V202 A221 Q222 L225 I320D201-V227 HydrophobicContact CB-CG1 3.92Å; V202-V227 HydrophobicContact CG1-CG1 3.95Å; A221-V227 HydrophobicContact CB-CB 4.21Å; A221-V227 PolarHBondContact O-N 3.28Å; Q222-V227 WeakPolarHBondContact CA-O 3.5Å; Q222-V227 PolarHBondContact N-O 2.95Å; L225-V227 HydrophobicContact CB-CB 4.34Å; L225-V227 HydrophobicContact CB-CG2 3.66Å; L225-V227 PolarHBondContact O-N 2.53Å; V227-I320 HydrophobicContact CG1-CD1 3.69Å; V227-I320 HydrophobicContact CG1-CG1 4.2Å; V227-I320 HydrophobicContact CG2-CD1 4.19Å; V227-I320 HydrophobicContact CG2-CG1 4.16Å; V227-I320 HydrophobicContact CG2-CG2 3.99Å
228S98.8Very high98.7Very high29 Ų2931.2 Ų31.220%0.20317%0.168CC..  trans-85.7107176.6-174.70000111.8G199 S200 D201 V202G199-S228 VanDerWaalsContact CA-OG 3.28Å; G199-S228 WeakPolarHBondContact CA-OG 3.33Å; S200-S228 PolarHBondContact N-O 3.39Å; S200-S228 PolarHBondContact N-OG 3.2Å; S200-S228 WeakPolarHBondContact OG-CB 3.49Å; D201-S228 WeakPolarHBondContact CB-O 3.21Å; D201-S228 PolarHBondContact N-O 3.44Å; D201-S228 WeakPolarHBondContact OD2-CB 3.24Å; D201-S228 PolarHBondContact OD2-N 2.89Å; V202-S228 PolarHBondContact N-O 3.02Å
229C98.8Very high98.7Very high1 Ų134.2 Ų34.21%0.00719%0.187CC..EExtended strand (participates in β ladder)trans-97.3129.7-180-57.20000112.1Q197 V202 L204 A218 A221Q197-C229 PolarHBondContact NE2-O 3.21Å; V202-C229 HydrophobicContact CG1-CB 3.9Å; V202-C229 WeakPolarHBondContact CG1-SG 3.47Å; L204-C229 HydrophobicContact CD1-CB 3.9Å; L204-C229 HydrophobicContact CG-CB 4.24Å; A218-C229 HydrophobicContact CB-CB 3.62Å; A221-C229 VanDerWaalsContact CB-SG 3.58Å
230E98.9Very high98.7Very high8 Ų832.6 Ų32.64%0.03717%0.174CC..EExtended strand (participates in β ladder)trans-84.8125.9163.5-179.9133.9100.200109.4V195 Q197 T198 G199 V202 L204 I232 S248 K251 T252V195-E230 HydrophobicContact CG1-CG 3.92Å; Q197-E230 CarbonylContact O-C 3.56Å; Q197-E230 WeakPolarHBondContact O-CA 3.5Å; T198-E230 VanDerWaalsContact CA-OE2 3.25Å; T198-E230 WeakPolarHBondContact CA-OE2 3.23Å; G199-E230 PolarHBondContact N-OE2 3.16Å; G199-E230 VanDerWaalsContact N-OE2 3.12Å; V202-E230 PolarHBondContact O-N 3.37Å; L204-E230 PolarHBondContact N-O 3.25Å; E230-I232 HydrophobicContact CG-CD1 4.5Å; E230-I232 HydrophobicContact CG-CG1 4.24Å; E230-S248 WeakPolarHBondContact CG-OG 3.5Å; E230-S248 VanDerWaalsContact OE1-CB 3.28Å; E230-S248 WeakPolarHBondContact OE1-CB 3.36Å; E230-S248 PolarHBondContact OE1-OG 3.18Å; E230-K251 WeakPolarHBondContact OE1-CE 3.48Å; E230-K251 IonicContact OE1-NZ 2.71Å; E230-K251 PolarHBondContact OE1-NZ 3.39Å; E230-K251 IonicContact OE2-NZ 2.81Å; E230-K251 PolarHBondContact OE2-NZ 3.35Å; E230-T252 HydrophobicContact CB-CG2 4.41Å
231V98.9Very high98.7Very high0 Ų032.4 Ų32.40%017%0.173CC..EExtended strand (participates in β ladder)trans-111.5122.5-176.9-179.40000109.8L196 Q197 L204 I214 A218L196-V231 HydrophobicContact CB-CG1 4.47Å; L196-V231 HydrophobicContact CD1-CG1 4.46Å; L196-V231 PolarHBondContact N-O 3.28Å; Q197-V231 HydrophobicContact CB-CB 4.06Å; Q197-V231 HydrophobicContact CB-CG2 4.12Å; Q197-V231 PolarHBondContact O-N 3.2Å; L204-V231 HydrophobicContact CD1-CG2 4.47Å; I214-V231 HydrophobicContact CD1-CG1 3.85Å; I214-V231 HydrophobicContact CG1-CG1 4.03Å; A218-V231 HydrophobicContact CB-CG2 3.61Å
232I98.9Very high98.7Very high0 Ų034.5 Ų34.50%019%0.186CC..EExtended strand (participates in β ladder)trans-119.5126.5-178-57.9-175.4000110.3A193 E194 V195 T203 L204 V205 A206 E230 T244A193-I232 HydrophobicContact CB-CG2 3.78Å; E194-I232 WeakPolarHBondContact O-CA 3.26Å; V195-I232 HydrophobicContact CG2-CD1 4.38Å; V195-I232 HydrophobicContact CG2-CG1 4.22Å; T203-I232 HydrophobicContact CG2-CD1 3.81Å; T203-I232 HydrophobicContact CG2-CG1 4.39Å; L204-I232 PolarHBondContact O-N 3.26Å; V205-I232 HydrophobicContact CG2-CB 4.18Å; A206-I232 PolarHBondContact N-O 2.78Å; E230-I232 HydrophobicContact CG-CD1 4.5Å; E230-I232 HydrophobicContact CG-CG1 4.24Å; I232-T244 HydrophobicContact CD1-CG2 4.48Å
233D98.9Very high98.7Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-90.7119.3162.2-1804.3000109.2R146 A193 E194 L196 A206 V211 R235R146-D233 WeakPolarHBondContact CD-OD2 3.39Å; R146-D233 WeakPolarHBondContact CG-OD2 3.27Å; R146-D233 IonicContact CZ-OD2 3.28Å; R146-D233 IonicContact NE-OD2 2.7Å; R146-D233 IonicContact NH1-OD2 2.94Å; R146-D233 PolarHBondContact NH1-OD2 3.4Å; A193-D233 CarbonylContact C-O 3.59Å; A193-D233 WeakPolarHBondContact CA-O 3.32Å; A193-D233 WeakPolarHBondContact CB-O 3.44Å; E194-D233 PolarHBondContact N-O 3.09Å; E194-D233 PolarHBondContact O-N 3.14Å; L196-D233 HydrophobicContact CD1-CB 4.07Å; L196-D233 HydrophobicContact CG-CB 4.37Å; A206-D233 WeakPolarHBondContact O-CA 3.45Å; V211-D233 HydrophobicContact CG1-CB 4.18Å; V211-D233 HydrophobicContact CG2-CB 3.9Å; D233-R235 HydrophobicContact CB-CG 4.33Å; D233-R235 PolarHBondContact OD1-N 3.3Å
234L98.9Very high98.7Very high0 Ų031.7 Ų31.70%018%0.175CC..  trans-71.2-32.9-177.3-170.662.7000112.9A193 V205 A206 W207 T236 I237 W240 V245 F267 I271A193-L234 HydrophobicContact CB-CD1 4.37Å; V205-L234 HydrophobicContact CG1-CB 4.3Å; A206-L234 PolarHBondContact O-N 3.24Å; W207-L234 HydrophobicContact CB-CB 4.48Å; W207-L234 HydrophobicContact CE3-CB 3.86Å; W207-L234 HydrophobicContact CE3-CD2 3.59Å; W207-L234 HydrophobicContact CE3-CG 4.38Å; W207-L234 HydrophobicContact CZ3-CD2 3.64Å; L234-T236 PolarHBondContact O-N 2.88Å; L234-I237 HydrophobicContact CD2-CD1 4.13Å; L234-W240 HydrophobicContact CD1-CB 4.31Å; L234-W240 HydrophobicContact CD1-CE3 4.14Å; L234-W240 HydrophobicContact CD2-CB 4.45Å; L234-V245 HydrophobicContact CD1-CG2 4.17Å; L234-F267 HydrophobicContact CD2-CD1 4.26Å; L234-F267 HydrophobicContact CD2-CE1 3.89Å; L234-I271 HydrophobicContact CD2-CD1 3.72Å
235R98.8Very high98.7Very high21 Ų2126 Ų268%0.07915%0.151CC..  trans59.3-57.9-177.1-53.2-172.6-67.7-169.6-4.4116.5I144 L154 Q192 A193 E194 D233I144-R235 PolarHBondContact N-O 2.97Å; L154-R235 HydrophobicContact CD1-CB 4.22Å; Q192-R235 VanDerWaalsContact C-NH2 3.34Å; Q192-R235 VanDerWaalsContact CB-NH2 3.33Å; Q192-R235 PolarHBondContact O-NE 3.48Å; Q192-R235 PolarHBondContact O-NH2 2.95Å; A193-R235 PolarHBondContact O-NH2 2.74Å; E194-R235 IonicContact OE2-NH1 3.91Å; D233-R235 HydrophobicContact CB-CG 4.33Å; D233-R235 PolarHBondContact OD1-N 3.3Å
236T98.9Very high98.8Very high0 Ų023.7 Ų23.70%014%0.14CC..EExtended strand (participates in β ladder)trans-107.5122-179.3-550000109.9I142 V143 S191 L234 L238 P239 W240I142-T236 CarbonylContact O-C 3.52Å; I142-T236 WeakPolarHBondContact O-CA 3.45Å; I142-T236 WeakPolarHBondContact O-CG2 3.45Å; V143-T236 HydrophobicContact CG2-CG2 4.23Å; S191-T236 PolarHBondContact N-OG1 3.47Å; L234-T236 PolarHBondContact O-N 2.88Å; T236-L238 WeakPolarHBondContact CG2-O 3.34Å; T236-P239 WeakPolarHBondContact CG2-O 3.43Å; T236-W240 WeakPolarHBondContact O-CA 3.25Å; T236-W240 WeakPolarHBondContact O-CB 3.24Å
237I98.9Very high98.8Very high0 Ų028.7 Ų28.70%015%0.147CC..EExtended strand (participates in β ladder)trans-80.4-38.2177.8-55.8-58.4000110.6E131 A135 I142 I144 W207 L234 W240 F267E131-I237 HydrophobicContact CB-CG1 4.15Å; E131-I237 HydrophobicContact CB-CG2 4.29Å; E131-I237 HydrophobicContact CG-CD1 4.43Å; E131-I237 HydrophobicContact CG-CG1 4.19Å; E131-I237 HydrophobicContact CG-CG2 4.36Å; A135-I237 HydrophobicContact CB-CG2 4.14Å; I142-I237 HydrophobicContact CB-CB 4Å; I142-I237 HydrophobicContact CG2-CB 3.92Å; I142-I237 HydrophobicContact CG2-CG1 4.09Å; I142-I237 PolarHBondContact O-N 3.01Å; I144-I237 HydrophobicContact CD1-CD1 4.22Å; I144-I237 HydrophobicContact CD1-CG1 3.82Å; I144-I237 HydrophobicContact CG1-CG1 4.06Å; W207-I237 HydrophobicContact CB-CD1 4.46Å; W207-I237 HydrophobicContact CD2-CD1 3.53Å; W207-I237 HydrophobicContact CE3-CD1 4.02Å; W207-I237 HydrophobicContact CG-CD1 3.76Å; W207-I237 HydrophobicContact CZ2-CD1 4.1Å; L234-I237 HydrophobicContact CD2-CD1 4.13Å; I237-W240 WeakPolarHBondContact O-CB 3.4Å; I237-F267 HydrophobicContact CD1-CD1 4.23Å; I237-F267 HydrophobicContact CG2-CB 4.47Å; I237-F267 HydrophobicContact CG2-CD1 3.75Å; I237-F267 HydrophobicContact CG2-CD2 3.7Å; I237-F267 HydrophobicContact CG2-CE1 3.83Å; I237-F267 HydrophobicContact CG2-CE2 3.79Å; I237-F267 HydrophobicContact CG2-CG 3.69Å; I237-F267 HydrophobicContact CG2-CZ 3.86Å; I237-F267 WeakPolarHBondContact O-CZ 3.46Å
238L98.2Very high98.8Very high33 Ų3328.4 Ų28.417%0.17315%0.146CC..EExtended strand (participates in β ladder)trans-145.2129.3178.2-172.971.6000110.4K141 I142 T236K141-L238 CarbonylContact C-O 3.19Å; K141-L238 WeakPolarHBondContact CA-O 3.42Å; I142-L238 HydrophobicContact CB-CB 4.45Å; I142-L238 HydrophobicContact CD1-CB 3.94Å; I142-L238 HydrophobicContact CD1-CD2 4.42Å; I142-L238 HydrophobicContact CG1-CB 4.31Å; I142-L238 PolarHBondContact N-O 2.93Å; I142-L238 PolarHBondContact O-N 3.34Å; T236-L238 WeakPolarHBondContact CG2-O 3.34Å
239P98.6Very high98.8Very high63 Ų6327 Ų2741%0.40914%0.136SC..THydrogen-bonded Turncis-62.3135-22.2-1830.9000110.9S191 T236S191-P239 WeakPolarHBondContact CA-O 3.43Å; S191-P239 WeakPolarHBondContact CB-O 3.21Å; S191-P239 WeakPolarHBondContact OG-CD 3.39Å; S191-P239 PolarHBondContact OG-O 2.99Å; T236-P239 WeakPolarHBondContact CG2-O 3.43Å
240W98.8Very high98.8Very high29 Ų2930.4 Ų30.411%0.1116%0.156CC..  trans-88.3160.7179.269.4-75.7000112.3L234 T236 I237 T242 V245 F267 I271 T274L234-W240 HydrophobicContact CD1-CB 4.31Å; L234-W240 HydrophobicContact CD1-CE3 4.14Å; L234-W240 HydrophobicContact CD2-CB 4.45Å; T236-W240 WeakPolarHBondContact O-CA 3.25Å; T236-W240 WeakPolarHBondContact O-CB 3.24Å; I237-W240 WeakPolarHBondContact O-CB 3.4Å; W240-T242 VanDerWaalsContact CE2-OG1 3.3Å; W240-T242 HydrophobicContact CH2-CG2 3.85Å; W240-T242 HydrophobicContact CZ2-CG2 4.06Å; W240-T242 WeakPolarHBondContact CZ2-OG1 3.29Å; W240-T242 HydrophobicContact CZ3-CG2 4.41Å; W240-T242 PolarHBondContact O-N 3.2Å; W240-V245 HydrophobicContact CE3-CG2 4.4Å; W240-V245 HydrophobicContact CZ3-CB 3.99Å; W240-V245 HydrophobicContact CZ3-CG1 4.34Å; W240-V245 HydrophobicContact CZ3-CG2 4.04Å; W240-F267 HydrophobicContact CB-CE1 4.24Å; W240-F267 HydrophobicContact CB-CZ 4.15Å; W240-F267 AromaticContact CD1-CZ 3.69Å; W240-F267 HydrophobicContact CG-CE1 4.24Å; W240-F267 AromaticContact CG-CZ 3.92Å; W240-F267 HydrophobicContact CG-CZ 3.92Å; W240-I271 HydrophobicContact CE3-CG1 4.33Å; W240-I271 HydrophobicContact CH2-CB 4.45Å; W240-I271 HydrophobicContact CH2-CG1 4.44Å; W240-I271 HydrophobicContact CH2-CG2 4.24Å; W240-I271 HydrophobicContact CZ3-CG1 4.25Å; W240-I271 HydrophobicContact CZ3-CG2 4.13Å; W240-T274 HydrophobicContact CH2-CG2 4.03Å; W240-T274 HydrophobicContact CZ2-CG2 3.69Å
241D98.8Very high98.8Very high8 Ų835 Ų354%0.04318%0.176CC..  trans-87.982.2-178-174.8-4.8000111.6Q192 A193 E243 T244Q192-D241 WeakPolarHBondContact CA-OD2 3.29Å; A193-D241 HydrophobicContact CB-CB 3.93Å; A193-D241 VanDerWaalsContact N-CB 3.34Å; A193-D241 PolarHBondContact N-OD2 3.23Å; D241-E243 VanDerWaalsContact C-N 3.3Å; D241-E243 PolarHBondContact O-N 2.7Å; D241-E243 PolarHBondContact OD1-N 2.9Å; D241-T244 VanDerWaalsContact CG-CB 3.5Å; D241-T244 VanDerWaalsContact CG-OG1 3.26Å; D241-T244 PolarHBondContact OD1-N 3.42Å; D241-T244 PolarHBondContact OD1-OG1 3.34Å; D241-T244 WeakPolarHBondContact OD2-CB 3.43Å; D241-T244 PolarHBondContact OD2-OG1 3.15Å
242T98.8Very high98.8Very high45 Ų4535.3 Ų35.328%0.27618%0.178SC..Hα-helixtrans-61.5-37.8177.7-51.80000112.3W240 V245 C246 T274W240-T242 VanDerWaalsContact CE2-OG1 3.3Å; W240-T242 HydrophobicContact CH2-CG2 3.85Å; W240-T242 HydrophobicContact CZ2-CG2 4.06Å; W240-T242 WeakPolarHBondContact CZ2-OG1 3.29Å; W240-T242 HydrophobicContact CZ3-CG2 4.41Å; W240-T242 PolarHBondContact O-N 3.2Å; T242-V245 PolarHBondContact O-N 3.19Å; T242-C246 WeakPolarHBondContact O-CB 3.36Å; T242-C246 PolarHBondContact O-N 3.25Å; T242-C246 PolarHBondContact O-SG 3.33Å; T242-T274 HydrophobicContact CG2-CG2 3.6Å
243E98.8Very high98.8Very high153 Ų15335.6 Ų35.672%0.71518%0.181SC*.Hα-helixtrans-63-50.4-175.6-174.3-176.7165.700111.2D241 V245 C246 K247D241-E243 VanDerWaalsContact C-N 3.3Å; D241-E243 PolarHBondContact O-N 2.7Å; D241-E243 PolarHBondContact OD1-N 2.9Å; E243-V245 VanDerWaalsContact C-N 3.34Å; E243-V245 PolarHBondContact O-N 3.03Å; E243-C246 PolarHBondContact O-N 2.95Å; E243-K247 WeakPolarHBondContact O-CB 3.2Å; E243-K247 PolarHBondContact O-N 3.23Å
244T98.9Very high98.8Very high33 Ų3338.2 Ų38.220%0.20219%0.191CC..Hα-helixtrans-61.6-43.3-179.3-670000111.7A193 V195 I232 D241 S248A193-T244 HydrophobicContact CB-CG2 3.9Å; V195-T244 HydrophobicContact CG2-CG2 3.96Å; I232-T244 HydrophobicContact CD1-CG2 4.48Å; D241-T244 VanDerWaalsContact CG-CB 3.5Å; D241-T244 VanDerWaalsContact CG-OG1 3.26Å; D241-T244 PolarHBondContact OD1-N 3.42Å; D241-T244 PolarHBondContact OD1-OG1 3.34Å; D241-T244 WeakPolarHBondContact OD2-CB 3.43Å; D241-T244 PolarHBondContact OD2-OG1 3.15Å; T244-S248 WeakPolarHBondContact O-CB 3.24Å; T244-S248 PolarHBondContact O-N 3.29Å; T244-S248 VanDerWaalsContact O-N 3.14Å
245V98.9Very high98.8Very high0 Ų038.2 Ų38.20%019%0.191CC..Hα-helixtrans-67.6-48.8-179.8177.30000110.9V205 L234 W240 T242 E243 K247 S248 V249 I271 V275V205-V245 HydrophobicContact CG2-CG1 4.15Å; V205-V245 HydrophobicContact CG2-CG2 4.37Å; L234-V245 HydrophobicContact CD1-CG2 4.17Å; W240-V245 HydrophobicContact CE3-CG2 4.4Å; W240-V245 HydrophobicContact CZ3-CB 3.99Å; W240-V245 HydrophobicContact CZ3-CG1 4.34Å; W240-V245 HydrophobicContact CZ3-CG2 4.04Å; T242-V245 PolarHBondContact O-N 3.19Å; E243-V245 VanDerWaalsContact C-N 3.34Å; E243-V245 PolarHBondContact O-N 3.03Å; V245-K247 PolarHBondContact O-N 3.42Å; V245-S248 WeakPolarHBondContact O-CB 3.41Å; V245-S248 PolarHBondContact O-N 3.4Å; V245-V249 HydrophobicContact CG1-CG2 4.46Å; V245-V249 WeakPolarHBondContact O-CG2 3.34Å; V245-V249 PolarHBondContact O-N 3.49Å; V245-I271 HydrophobicContact CG1-CG2 4.25Å; V245-V275 HydrophobicContact CG1-CG2 3.78Å
246C98.9Very high98.8Very high16 Ų1637.2 Ų37.211%0.10819%0.187CC..Hα-helixtrans-63.1-42.2-179.6-66.30000111.5T242 E243 S248 V249 V250T242-C246 WeakPolarHBondContact O-CB 3.36Å; T242-C246 PolarHBondContact O-N 3.25Å; T242-C246 PolarHBondContact O-SG 3.33Å; E243-C246 PolarHBondContact O-N 2.95Å; C246-S248 VanDerWaalsContact C-N 3.28Å; C246-S248 PolarHBondContact O-N 2.89Å; C246-V249 PolarHBondContact O-N 3.33Å; C246-V249 VanDerWaalsContact O-N 3.12Å; C246-V250 WeakPolarHBondContact O-CG2 3.44Å; C246-V250 PolarHBondContact O-N 2.63Å
247K98.9Very high98.8Very high155 Ų15537.2 Ų37.267%0.67419%0.187SC*.Hα-helixtrans-58.2-41175.5-179.3177.5179.3177.70112.4E243 V245 K251E243-K247 WeakPolarHBondContact O-CB 3.2Å; E243-K247 PolarHBondContact O-N 3.23Å; V245-K247 PolarHBondContact O-N 3.42Å; K247-K251 PolarHBondContact O-N 3.14Å
248S98.9Very high98.8Very high3 Ų337.2 Ų37.22%0.02119%0.187CC..Hα-helixtrans-64.6-44.5175.4173.50000111.6T203 E230 T244 V245 C246 K251 T252T203-S248 WeakPolarHBondContact CB-OG 3.37Å; T203-S248 WeakPolarHBondContact CG2-OG 3.39Å; T203-S248 PolarHBondContact OG1-O 2.72Å; T203-S248 PolarHBondContact OG1-OG 3.45Å; E230-S248 WeakPolarHBondContact CG-OG 3.5Å; E230-S248 VanDerWaalsContact OE1-CB 3.28Å; E230-S248 WeakPolarHBondContact OE1-CB 3.36Å; E230-S248 PolarHBondContact OE1-OG 3.18Å; T244-S248 WeakPolarHBondContact O-CB 3.24Å; T244-S248 PolarHBondContact O-N 3.29Å; T244-S248 VanDerWaalsContact O-N 3.14Å; V245-S248 WeakPolarHBondContact O-CB 3.41Å; V245-S248 PolarHBondContact O-N 3.4Å; C246-S248 VanDerWaalsContact C-N 3.28Å; C246-S248 PolarHBondContact O-N 2.89Å; S248-K251 WeakPolarHBondContact O-CB 3.47Å; S248-K251 PolarHBondContact O-N 3.45Å; S248-T252 WeakPolarHBondContact O-CG2 3.49Å; S248-T252 PolarHBondContact O-N 3.49Å; S248-T252 PolarHBondContact O-OG1 3.5Å
249V98.9Very high98.9Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-69.5-38-179.2176.70000112.3T203 V245 C246 K251 T252 G253 L255 V275 C279 L283T203-V249 HydrophobicContact CG2-CG2 4.23Å; V245-V249 HydrophobicContact CG1-CG2 4.46Å; V245-V249 WeakPolarHBondContact O-CG2 3.34Å; V245-V249 PolarHBondContact O-N 3.49Å; C246-V249 PolarHBondContact O-N 3.33Å; C246-V249 VanDerWaalsContact O-N 3.12Å; V249-K251 PolarHBondContact O-N 2.8Å; V249-T252 PolarHBondContact O-N 2.73Å; V249-G253 WeakPolarHBondContact O-CA 3.44Å; V249-G253 PolarHBondContact O-N 2.9Å; V249-L255 HydrophobicContact CG2-CB 3.89Å; V249-L255 HydrophobicContact CG2-CD1 4.06Å; V249-L255 HydrophobicContact CG2-CD2 4.1Å; V249-L255 HydrophobicContact CG2-CG 4.23Å; V249-V275 HydrophobicContact CB-CG1 4.07Å; V249-V275 HydrophobicContact CG1-CG1 3.73Å; V249-V275 HydrophobicContact CG2-CG1 3.97Å; V249-C279 HydrophobicContact CG1-CB 4.03Å; V249-L283 HydrophobicContact CG1-CD2 3.85Å
250V98.9Very high98.9Very high72 Ų7233 Ų3344%0.43616%0.161SC..Hα-helixtrans-56.2-36.1172.6165.80000111.3C246 C279C246-V250 WeakPolarHBondContact O-CG2 3.44Å; C246-V250 PolarHBondContact O-N 2.63Å; V250-C279 HydrophobicContact CG2-CB 4.49Å
251K98.8Very high98.9Very high104 Ų10431.8 Ų31.845%0.45216%0.157SC..Hα-helixtrans-75.2-41.7178.4177.6-174.558.9167.90112.8G199 E230 K247 S248 V249G199-K251 WeakPolarHBondContact O-CE 3.35Å; G199-K251 PolarHBondContact O-NZ 3.45Å; E230-K251 WeakPolarHBondContact OE1-CE 3.48Å; E230-K251 IonicContact OE1-NZ 2.71Å; E230-K251 PolarHBondContact OE1-NZ 3.39Å; E230-K251 IonicContact OE2-NZ 2.81Å; E230-K251 PolarHBondContact OE2-NZ 3.35Å; K247-K251 PolarHBondContact O-N 3.14Å; S248-K251 WeakPolarHBondContact O-CB 3.47Å; S248-K251 PolarHBondContact O-N 3.45Å; V249-K251 PolarHBondContact O-N 2.8Å
252T98.9Very high98.9Very high7 Ų733.8 Ų33.84%0.04317%0.171CC..Hα-helixtrans-96-22-17162.20000114.3S200 T203 E230 S248 V249 R254S200-T252 WeakPolarHBondContact O-CA 3.3Å; T203-T252 PolarHBondContact N-OG1 2.74Å; T203-T252 WeakPolarHBondContact OG1-CG2 3.44Å; T203-T252 PolarHBondContact OG1-OG1 3.5Å; E230-T252 HydrophobicContact CB-CG2 4.41Å; S248-T252 WeakPolarHBondContact O-CG2 3.49Å; S248-T252 PolarHBondContact O-N 3.49Å; S248-T252 PolarHBondContact O-OG1 3.5Å; V249-T252 PolarHBondContact O-N 2.73Å; T252-R254 PolarHBondContact O-N 3.01Å; T252-R254 PolarHBondContact OG1-O 3.35Å
253G98.8Very high98.9Very high5 Ų534.4 Ų34.45%0.05217%0.172CC..SBendtrans682.5-175.800000115.4V249 N282 L283 E284V249-G253 WeakPolarHBondContact O-CA 3.44Å; V249-G253 PolarHBondContact O-N 2.9Å; G253-N282 WeakPolarHBondContact CA-O 3.44Å; G253-L283 WeakPolarHBondContact O-CA 3.34Å; G253-E284 PolarHBondContact O-N 3.35Å
254R98.9Very high98.9Very high55 Ų5532 Ų3221%0.20817%0.168CC..  trans-142.5143.3-176.5-60.7-179.7-171.974.28.9111.3D201 V202 T203 T252 E284 A285 M319D201-R254 PolarHBondContact O-NH1 2.65Å; D201-R254 VanDerWaalsContact O-NH1 3.07Å; V202-R254 HydrophobicContact CB-CB 4.25Å; V202-R254 HydrophobicContact CG2-CB 3.98Å; T203-R254 WeakPolarHBondContact CB-O 3.09Å; T203-R254 PolarHBondContact N-O 3.45Å; T252-R254 PolarHBondContact O-N 3.01Å; T252-R254 PolarHBondContact OG1-O 3.35Å; R254-E284 HydrophobicContact CG-CB 4.16Å; R254-A285 HydrophobicContact CG-CB 4.31Å; R254-M319 HydrophobicContact CB-CE 4.02Å; R254-M319 HydrophobicContact CB-SD 4.24Å
255L98.9Very high98.9Very high0 Ų033.2 Ų33.20%019%0.187CC..EExtended strand (participates in β ladder)trans-135.2129.9-179.9176.961.8000111.5T203 V205 V249 I257 I271 V275 I287 S288 M319T203-L255 HydrophobicContact CG2-CD1 3.82Å; T203-L255 WeakPolarHBondContact O-CA 3.39Å; V205-L255 HydrophobicContact CB-CD1 4.41Å; V205-L255 HydrophobicContact CG2-CD1 3.65Å; V249-L255 HydrophobicContact CG2-CB 3.89Å; V249-L255 HydrophobicContact CG2-CD1 4.06Å; V249-L255 HydrophobicContact CG2-CD2 4.1Å; V249-L255 HydrophobicContact CG2-CG 4.23Å; L255-I257 HydrophobicContact CD1-CG1 4.04Å; L255-I257 HydrophobicContact CD2-CD1 3.84Å; L255-I257 HydrophobicContact CD2-CG1 3.89Å; L255-I257 HydrophobicContact CG-CD1 4.22Å; L255-I257 HydrophobicContact CG-CG1 3.84Å; L255-I271 HydrophobicContact CD2-CG2 4.33Å; L255-V275 HydrophobicContact CD2-CB 4Å; L255-V275 HydrophobicContact CD2-CG1 3.82Å; L255-V275 HydrophobicContact CD2-CG2 3.87Å; L255-I287 HydrophobicContact CB-CG1 4.22Å; L255-I287 HydrophobicContact CB-CG2 4.05Å; L255-I287 HydrophobicContact CD2-CD1 4.31Å; L255-I287 HydrophobicContact CD2-CG1 4.5Å; L255-I287 HydrophobicContact CD2-CG2 3.83Å; L255-I287 HydrophobicContact CG-CG2 3.89Å; L255-I287 WeakPolarHBondContact O-CA 3.43Å; L255-S288 PolarHBondContact O-N 3.2Å; L255-M319 VanDerWaalsContact O-SD 3.33Å
256L98.9Very high98.8Very high1 Ų133.3 Ų33.31%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-120.1126.1163.9-175.8157.7000109.6T203 L204 V205 S288 V290 A315 L316 M319T203-L256 PolarHBondContact O-N 3.14Å; L204-L256 WeakPolarHBondContact CA-O 3.41Å; L204-L256 HydrophobicContact CD2-CB 3.81Å; L204-L256 HydrophobicContact CD2-CD2 4.38Å; V205-L256 PolarHBondContact N-O 3.27Å; L256-S288 WeakPolarHBondContact CA-O 3.3Å; L256-V290 HydrophobicContact CD1-CG2 4.05Å; L256-V290 HydrophobicContact CD2-CG2 4.22Å; L256-V290 HydrophobicContact CG-CG2 4.18Å; L256-A315 HydrophobicContact CD1-CB 4.05Å; L256-L316 HydrophobicContact CD1-CB 4.03Å; L256-M319 HydrophobicContact CB-CE 3.96Å
257I98.9Very high98.9Very high0 Ų033 Ų330%019%0.185CC..EExtended strand (participates in β ladder)trans-110.9136.9177.8-50.6146.5000108.5V205 W207 L255 A268 I271 I287 S288 R289 V290V205-I257 WeakPolarHBondContact O-CA 3.47Å; W207-I257 HydrophobicContact CH2-CG2 4.46Å; W207-I257 HydrophobicContact CZ3-CG2 4.31Å; L255-I257 HydrophobicContact CD1-CG1 4.04Å; L255-I257 HydrophobicContact CD2-CD1 3.84Å; L255-I257 HydrophobicContact CD2-CG1 3.89Å; L255-I257 HydrophobicContact CG-CD1 4.22Å; L255-I257 HydrophobicContact CG-CG1 3.84Å; I257-A268 HydrophobicContact CB-CB 4.01Å; I257-A268 HydrophobicContact CG2-CB 3.54Å; I257-I271 HydrophobicContact CD1-CB 3.9Å; I257-I271 HydrophobicContact CD1-CG2 3.71Å; I257-I271 HydrophobicContact CG1-CG2 4.03Å; I257-I271 HydrophobicContact CG2-CD1 4.09Å; I257-I287 HydrophobicContact CD1-CG2 3.8Å; I257-S288 PolarHBondContact N-O 2.68Å; I257-R289 WeakPolarHBondContact O-CA 3.33Å; I257-V290 PolarHBondContact O-N 3.42Å
258S98.9Very high98.9Very high0 Ų025.6 Ų25.60%015%0.153CC..EExtended strand (participates in β ladder)trans-139.9138.3179.3-168.20000113.3V205 A206 Q210 V290 C312V205-S258 PolarHBondContact O-N 3.31Å; A206-S258 WeakPolarHBondContact CA-O 3.47Å; A206-S258 VanDerWaalsContact CB-O 3.31Å; A206-S258 WeakPolarHBondContact CB-O 3.35Å; Q210-S258 PolarHBondContact NE2-OG 3.09Å; S258-V290 VanDerWaalsContact CA-O 3.26Å; S258-V290 WeakPolarHBondContact CA-O 3.34Å; S258-V290 WeakPolarHBondContact CB-O 3.21Å; S258-V290 PolarHBondContact OG-O 3.24Å; S258-C312 PolarHBondContact OG-SG 3.32Å
259H98.9Very high98.8Very high1 Ų127.6 Ų27.61%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-159.2151.5179.367.8134.7000111.3E131 W207 A261 C291 G292 P307E131-H259 IonicContact OE1-ND1 3.92Å; W207-H259 HydrophobicContact CH2-CB 4.01Å; W207-H259 HydrophobicContact CZ2-CB 3.4Å; W207-H259 VanDerWaalsContact CZ2-CB 3.4Å; W207-H259 AromaticContact CZ2-CG 3.67Å; W207-H259 AromaticContact CZ2-ND1 3.66Å; H259-A261 VanDerWaalsContact C-N 3.32Å; H259-A261 PolarHBondContact O-N 3.38Å; H259-C291 PolarHBondContact CD2-SG 3.35Å; H259-C291 PolarHBondContact NE2-SG 3.48Å; H259-C291 VanDerWaalsContact O-CA 3.3Å; H259-C291 WeakPolarHBondContact O-CA 3.39Å; H259-G292 PolarHBondContact O-N 3.32Å; H259-P307 WeakPolarHBondContact O-CG 3.47Å
260E98.9Very high98.9Very high5 Ų532 Ų322%0.02319%0.187CC..EExtended strand (participates in β ladder)trans-70.3-24.8-173.5-64176.3-148.800114.1C118C118-E260 WeakPolarHBondContact CB-OE2 3.34Å; C118-E260 PolarHBondContact N-OE2 2.95Å; C118-E260 PolarHBondContact SG-OE2 2.98Å
261A98.9Very high98.9Very high5 Ų528.5 Ų28.54%0.04117%0.166CC..EExtended strand (participates in β ladder)trans-64.6161179.900000112.2S129 H259 G292S129-A261 WeakPolarHBondContact O-CB 3.25Å; H259-A261 VanDerWaalsContact C-N 3.32Å; H259-A261 PolarHBondContact O-N 3.38Å; A261-G292 PolarHBondContact O-N 3.18Å
262P98.9Very high98.9Very high50 Ų5024.7 Ų24.733%0.32515%0.153SC..EExtended strand (participates in β ladder)trans-54.1149.2174.4-28.437000113.9G292P262-G292 WeakPolarHBondContact CA-O 3.42Å
263L98.9Very high98.9Very high57 Ų5726.8 Ų26.830%0.29817%0.167SC..SBendtrans-63.1-44.8-178.7178.567.3000112.9G266 R289 C291 G292 D294L263-G266 PolarHBondContact O-N 3.06Å; L263-R289 HydrophobicContact CD1-CB 3.88Å; L263-R289 VanDerWaalsContact CD1-CZ 3.48Å; L263-R289 PolarHBondContact O-NH1 3.5Å; L263-C291 HydrophobicContact CB-CB 4.05Å; L263-C291 HydrophobicContact CD1-CB 4.08Å; L263-C291 VanDerWaalsContact CD1-SG 3.52Å; L263-G292 PolarHBondContact N-O 3.3Å; L263-D294 PolarHBondContact N-OD1 2.69Å
264T98.8Very high98.9Very high102 Ų10227.4 Ų27.463%0.62617%0.17SC*.THydrogen-bonded Turntrans-78.9125-174.4-66.30000110.5G266 D294T264-G266 PolarHBondContact O-N 3.23Å; T264-G266 VanDerWaalsContact O-N 3.14Å; T264-D294 VanDerWaalsContact CB-OD1 3.32Å; T264-D294 WeakPolarHBondContact CB-OD1 3.4Å; T264-D294 PolarHBondContact N-OD1 3.1Å; T264-D294 VanDerWaalsContact OG1-CG 3.3Å; T264-D294 PolarHBondContact OG1-OD1 3.45Å; T264-D294 PolarHBondContact OG1-OD2 2.95Å
265G98.3Very high98.9Very high59 Ų5924.8 Ų24.861%0.60816%0.16SC*.THydrogen-bonded Turntrans69.6-0.3-174.500000114.4A132A132-G265 WeakPolarHBondContact CB-O 3.25Å
266G98.7Very high98.9Very high2 Ų228.7 Ų28.72%0.02118%0.179CC..  trans-64.7153.4176.900000112.9L263 T264 A268 S269L263-G266 PolarHBondContact O-N 3.06Å; T264-G266 PolarHBondContact O-N 3.23Å; T264-G266 VanDerWaalsContact O-N 3.14Å; G266-A268 PolarHBondContact O-N 2.56Å; G266-A268 VanDerWaalsContact O-N 3.09Å; G266-S269 VanDerWaalsContact O-CB 3.32Å; G266-S269 WeakPolarHBondContact O-CB 3.37Å; G266-S269 PolarHBondContact O-N 3.16Å; G266-S269 PolarHBondContact O-OG 2.84Å
267F98.9Very high98.9Very high10 Ų1034.8 Ų34.84%0.04421%0.207CC..THydrogen-bonded Turntrans-64.1-19.6-173.9-164.3-107.7000114.4A135 W207 L234 I237 W240 S269 E270 I271A135-F267 HydrophobicContact CB-CD2 3.54Å; A135-F267 HydrophobicContact CB-CE2 3.7Å; W207-F267 HydrophobicContact CH2-CB 4.03Å; W207-F267 AromaticContact CH2-CD1 3.79Å; W207-F267 HydrophobicContact CH2-CD1 3.79Å; W207-F267 HydrophobicContact CH2-CG 4.41Å; W207-F267 HydrophobicContact CZ2-CB 3.98Å; W207-F267 HydrophobicContact CZ2-CD1 4.26Å; W207-F267 HydrophobicContact CZ3-CD1 4.26Å; L234-F267 HydrophobicContact CD2-CD1 4.26Å; L234-F267 HydrophobicContact CD2-CE1 3.89Å; I237-F267 HydrophobicContact CD1-CD1 4.23Å; I237-F267 HydrophobicContact CG2-CB 4.47Å; I237-F267 HydrophobicContact CG2-CD1 3.75Å; I237-F267 HydrophobicContact CG2-CD2 3.7Å; I237-F267 HydrophobicContact CG2-CE1 3.83Å; I237-F267 HydrophobicContact CG2-CE2 3.79Å; I237-F267 HydrophobicContact CG2-CG 3.69Å; I237-F267 HydrophobicContact CG2-CZ 3.86Å; I237-F267 WeakPolarHBondContact O-CZ 3.46Å; W240-F267 HydrophobicContact CB-CE1 4.24Å; W240-F267 HydrophobicContact CB-CZ 4.15Å; W240-F267 AromaticContact CD1-CZ 3.69Å; W240-F267 HydrophobicContact CG-CE1 4.24Å; W240-F267 AromaticContact CG-CZ 3.92Å; W240-F267 HydrophobicContact CG-CZ 3.92Å; F267-S269 PolarHBondContact O-N 3.25Å; F267-E270 HydrophobicContact CD2-CB 4.14Å; F267-E270 HydrophobicContact CE2-CB 3.98Å; F267-E270 HydrophobicContact CE2-CG 3.92Å; F267-E270 HydrophobicContact CZ-CB 4.42Å; F267-E270 HydrophobicContact CZ-CG 4.18Å; F267-E270 PolarHBondContact O-N 2.94Å; F267-I271 HydrophobicContact CD1-CD1 3.81Å; F267-I271 HydrophobicContact CD1-CG1 4.05Å; F267-I271 HydrophobicContact CE1-CD1 3.9Å; F267-I271 HydrophobicContact CE1-CG1 3.83Å; F267-I271 PolarHBondContact O-N 2.72Å
268A98.9Very high98.8Very high0 Ų041 Ų410%024%0.236CC..Hα-helixtrans-60.5-22.2169.500000113.4I257 G266 S272 R289I257-A268 HydrophobicContact CB-CB 4.01Å; I257-A268 HydrophobicContact CG2-CB 3.54Å; G266-A268 PolarHBondContact O-N 2.56Å; G266-A268 VanDerWaalsContact O-N 3.09Å; A268-S272 WeakPolarHBondContact O-CB 3.29Å; A268-S272 PolarHBondContact O-N 2.89Å; A268-R289 HydrophobicContact CB-CB 4.49Å; A268-R289 HydrophobicContact CB-CG 4.14Å; A268-R289 WeakPolarHBondContact O-CD 3.19Å
269S98.9Very high98.8Very high45 Ų4541 Ų4132%0.31524%0.236SC..Hα-helixtrans-66-47.8173.361.70000112G266 F267 S272 S273G266-S269 VanDerWaalsContact O-CB 3.32Å; G266-S269 WeakPolarHBondContact O-CB 3.37Å; G266-S269 PolarHBondContact O-N 3.16Å; G266-S269 PolarHBondContact O-OG 2.84Å; F267-S269 PolarHBondContact O-N 3.25Å; S269-S272 PolarHBondContact O-N 2.67Å; S269-S273 PolarHBondContact O-N 2.99Å; S269-S273 PolarHBondContact O-OG 3.38Å; S269-S273 VanDerWaalsContact O-OG 3.05Å
270E98.9Very high98.8Very high91 Ų9147.2 Ų47.243%0.42526%0.263SS..Hα-helixtrans-58.4-50.5177.3-178.764.1-16200111.4F267 S272 S273 T274F267-E270 HydrophobicContact CD2-CB 4.14Å; F267-E270 HydrophobicContact CE2-CB 3.98Å; F267-E270 HydrophobicContact CE2-CG 3.92Å; F267-E270 HydrophobicContact CZ-CB 4.42Å; F267-E270 HydrophobicContact CZ-CG 4.18Å; F267-E270 PolarHBondContact O-N 2.94Å; E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 3.46Å; E270-S273 PolarHBondContact O-N 3.39Å; E270-S273 PolarHBondContact O-OG 3.27Å; E270-T274 PolarHBondContact O-N 2.76Å; E270-T274 PolarHBondContact O-OG1 2.78Å; E270-T274 VanDerWaalsContact O-OG1 3.06Å
271I98.9Very high98.8Very high0 Ų054.7 Ų54.70%030%0.303CS..Hα-helixtrans-59.8-44.3178-59.7168.6000110.2V205 W207 L234 W240 V245 L255 I257 F267 V275V205-I271 HydrophobicContact CG1-CD1 4.43Å; W207-I271 HydrophobicContact CH2-CD1 3.92Å; W207-I271 HydrophobicContact CZ3-CD1 3.52Å; L234-I271 HydrophobicContact CD2-CD1 3.72Å; W240-I271 HydrophobicContact CE3-CG1 4.33Å; W240-I271 HydrophobicContact CH2-CB 4.45Å; W240-I271 HydrophobicContact CH2-CG1 4.44Å; W240-I271 HydrophobicContact CH2-CG2 4.24Å; W240-I271 HydrophobicContact CZ3-CG1 4.25Å; W240-I271 HydrophobicContact CZ3-CG2 4.13Å; V245-I271 HydrophobicContact CG1-CG2 4.25Å; L255-I271 HydrophobicContact CD2-CG2 4.33Å; I257-I271 HydrophobicContact CD1-CB 3.9Å; I257-I271 HydrophobicContact CD1-CG2 3.71Å; I257-I271 HydrophobicContact CG1-CG2 4.03Å; I257-I271 HydrophobicContact CG2-CD1 4.09Å; F267-I271 HydrophobicContact CD1-CD1 3.81Å; F267-I271 HydrophobicContact CD1-CG1 4.05Å; F267-I271 HydrophobicContact CE1-CD1 3.9Å; F267-I271 HydrophobicContact CE1-CG1 3.83Å; F267-I271 PolarHBondContact O-N 2.72Å; I271-V275 HydrophobicContact CG2-CG2 4.24Å; I271-V275 VanDerWaalsContact O-CB 3.32Å; I271-V275 WeakPolarHBondContact O-CB 3.08Å; I271-V275 VanDerWaalsContact O-CG2 3.22Å; I271-V275 WeakPolarHBondContact O-CG2 3.43Å; I271-V275 PolarHBondContact O-N 3.13Å
272S98.9Very high98.8Very high24 Ų2457.2 Ų57.217%0.16832%0.316CS..Hα-helixtrans-63.9-42.5-179.7-177.30000112.5A268 S269 E270 Q276 I287A268-S272 WeakPolarHBondContact O-CB 3.29Å; A268-S272 PolarHBondContact O-N 2.89Å; S269-S272 PolarHBondContact O-N 2.67Å; E270-S272 VanDerWaalsContact C-N 3.29Å; E270-S272 PolarHBondContact O-N 3.46Å; S272-Q276 VanDerWaalsContact O-CB 3.29Å; S272-Q276 WeakPolarHBondContact O-CB 3.42Å; S272-Q276 PolarHBondContact O-N 3.39Å; S272-I287 VanDerWaalsContact O-CD1 3.31Å; S272-I287 WeakPolarHBondContact O-CD1 3.33Å; S272-I287 WeakPolarHBondContact OG-CG2 3.28Å
273S98.9Very high98.8Very high50 Ų5057 Ų5735%0.3531%0.311SS..Hα-helixtrans-68.2-47.5179.244.60000111.3S269 E270 V275 Q276 E277S269-S273 PolarHBondContact O-N 2.99Å; S269-S273 PolarHBondContact O-OG 3.38Å; S269-S273 VanDerWaalsContact O-OG 3.05Å; E270-S273 PolarHBondContact O-N 3.39Å; E270-S273 PolarHBondContact O-OG 3.27Å; S273-V275 PolarHBondContact O-N 2.93Å; S273-Q276 WeakPolarHBondContact O-CB 3.04Å; S273-Q276 PolarHBondContact O-N 2.96Å; S273-Q276 VanDerWaalsContact O-N 3.14Å; S273-E277 WeakPolarHBondContact O-CG 3.13Å; S273-E277 PolarHBondContact O-N 2.87Å
274T98.9Very high98.8Very high19 Ų1960.5 Ų60.512%0.11733%0.326CS..Hα-helixtrans-63.8-43-179.7-53.80000111.9W240 T242 E270 Q276 E277 E278W240-T274 HydrophobicContact CH2-CG2 4.03Å; W240-T274 HydrophobicContact CZ2-CG2 3.69Å; T242-T274 HydrophobicContact CG2-CG2 3.6Å; E270-T274 PolarHBondContact O-N 2.76Å; E270-T274 PolarHBondContact O-OG1 2.78Å; E270-T274 VanDerWaalsContact O-OG1 3.06Å; T274-Q276 VanDerWaalsContact C-N 3.28Å; T274-Q276 PolarHBondContact O-N 3.49Å; T274-E277 PolarHBondContact O-N 3.39Å; T274-E278 HydrophobicContact CG2-CG 4.23Å; T274-E278 WeakPolarHBondContact O-CB 3.49Å; T274-E278 WeakPolarHBondContact O-CG 3.41Å; T274-E278 PolarHBondContact O-N 3.13Å
275V98.9Very high98.8Very high0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-65.1-35.9176.4170.90000111V245 V249 L255 I271 S273 E277 C279 I287V245-V275 HydrophobicContact CG1-CG2 3.78Å; V249-V275 HydrophobicContact CB-CG1 4.07Å; V249-V275 HydrophobicContact CG1-CG1 3.73Å; V249-V275 HydrophobicContact CG2-CG1 3.97Å; L255-V275 HydrophobicContact CD2-CB 4Å; L255-V275 HydrophobicContact CD2-CG1 3.82Å; L255-V275 HydrophobicContact CD2-CG2 3.87Å; I271-V275 HydrophobicContact CG2-CG2 4.24Å; I271-V275 VanDerWaalsContact O-CB 3.32Å; I271-V275 WeakPolarHBondContact O-CB 3.08Å; I271-V275 VanDerWaalsContact O-CG2 3.22Å; I271-V275 WeakPolarHBondContact O-CG2 3.43Å; I271-V275 PolarHBondContact O-N 3.13Å; S273-V275 PolarHBondContact O-N 2.93Å; V275-E277 VanDerWaalsContact C-N 3.3Å; V275-E277 PolarHBondContact O-N 2.96Å; V275-C279 HydrophobicContact CG1-CB 4.1Å; V275-C279 WeakPolarHBondContact O-CA 3.39Å; V275-C279 WeakPolarHBondContact O-CB 3.32Å; V275-C279 PolarHBondContact O-N 3.28Å; V275-I287 HydrophobicContact CB-CD1 4.01Å; V275-I287 HydrophobicContact CG1-CD1 3.81Å
276Q98.9Very high98.8Very high81 Ų8156.4 Ų56.438%0.37929%0.291SS..Hα-helixtrans-63.2-39.7175.7-173.2-84.1-2.500111.6S272 S273 T274 F280 L283 I287S272-Q276 VanDerWaalsContact O-CB 3.29Å; S272-Q276 WeakPolarHBondContact O-CB 3.42Å; S272-Q276 PolarHBondContact O-N 3.39Å; S273-Q276 WeakPolarHBondContact O-CB 3.04Å; S273-Q276 PolarHBondContact O-N 2.96Å; S273-Q276 VanDerWaalsContact O-N 3.14Å; T274-Q276 VanDerWaalsContact C-N 3.28Å; T274-Q276 PolarHBondContact O-N 3.49Å; Q276-F280 HydrophobicContact CG-CD2 4.49Å; Q276-F280 VanDerWaalsContact O-CA 3.28Å; Q276-F280 WeakPolarHBondContact O-CA 3.11Å; Q276-F280 VanDerWaalsContact O-CB 3.25Å; Q276-F280 WeakPolarHBondContact O-CB 3.36Å; Q276-F280 PolarHBondContact O-N 3.36Å; Q276-L283 HydrophobicContact CB-CD1 4.45Å; Q276-L283 HydrophobicContact CG-CD1 4.33Å; Q276-I287 HydrophobicContact CB-CD1 4.2Å
277E98.8Very high98.8Very high130 Ų13057.6 Ų57.661%0.60730%0.297SS*.Hα-helixtrans-67.1-48.7177.6-70166.1177.300111.3S273 T274 V275S273-E277 WeakPolarHBondContact O-CG 3.13Å; S273-E277 PolarHBondContact O-N 2.87Å; T274-E277 PolarHBondContact O-N 3.39Å; V275-E277 VanDerWaalsContact C-N 3.3Å; V275-E277 PolarHBondContact O-N 2.96Å
278E98.8Very high98.8Very high130 Ų13058.2 Ų58.261%0.60730%0.302SS*.Hα-helixtrans-82.2-25.7-172.7-64.8-60.5144.300113.8T274T274-E278 HydrophobicContact CG2-CG 4.23Å; T274-E278 WeakPolarHBondContact O-CB 3.49Å; T274-E278 WeakPolarHBondContact O-CG 3.41Å; T274-E278 PolarHBondContact O-N 3.13Å
279C98.7Very high98.8Very high1 Ų162.4 Ų62.41%0.00732%0.318CS..SBendtrans-12018.4-174.6-55.30000112.9V249 V250 V275 L281 N282 L283V249-C279 HydrophobicContact CG1-CB 4.03Å; V250-C279 HydrophobicContact CG2-CB 4.49Å; V275-C279 HydrophobicContact CG1-CB 4.1Å; V275-C279 WeakPolarHBondContact O-CA 3.39Å; V275-C279 WeakPolarHBondContact O-CB 3.32Å; V275-C279 PolarHBondContact O-N 3.28Å; C279-L281 VanDerWaalsContact C-N 3.28Å; C279-L281 PolarHBondContact O-N 3.24Å; C279-L281 VanDerWaalsContact O-N 3.12Å; C279-N282 WeakPolarHBondContact O-CB 3.48Å; C279-N282 PolarHBondContact O-N 3.06Å; C279-L283 PolarHBondContact O-N 2.95Å
280F98.8Very high98.9Very high130 Ų13061 Ų6157%0.5731%0.308SS*.G310 helixtrans-47.1-47.3-173-174.7-104.2000114Q276 N282Q276-F280 HydrophobicContact CG-CD2 4.49Å; Q276-F280 VanDerWaalsContact O-CA 3.28Å; Q276-F280 WeakPolarHBondContact O-CA 3.11Å; Q276-F280 VanDerWaalsContact O-CB 3.25Å; Q276-F280 WeakPolarHBondContact O-CB 3.36Å; Q276-F280 PolarHBondContact O-N 3.36Å; F280-N282 PolarHBondContact O-N 2.9Å
281L98.7Very high98.9Very high162 Ų16257.3 Ų57.385%0.84829%0.291SS*.G310 helixtrans-73.9-11.7-176.5-64.7176.9000113.9C279C279-L281 VanDerWaalsContact C-N 3.28Å; C279-L281 PolarHBondContact O-N 3.24Å; C279-L281 VanDerWaalsContact O-N 3.12Å
282N98.8Very high98.8Very high59 Ų5957.3 Ų57.332%0.31629%0.292SS..G310 helixtrans-99.7-13.4-177.7-59.990.2000112.6G253 C279 F280 E284G253-N282 WeakPolarHBondContact CA-O 3.44Å; C279-N282 WeakPolarHBondContact O-CB 3.48Å; C279-N282 PolarHBondContact O-N 3.06Å; F280-N282 PolarHBondContact O-N 2.9Å; N282-E284 PolarHBondContact O-N 2.74Å
283L98.8Very high98.8Very high45 Ų4562.1 Ų62.124%0.23631%0.307CS..  trans-75.6111.5-173.1-70.6173.7000111.9V249 G253 Q276 C279 I287V249-L283 HydrophobicContact CG1-CD2 3.85Å; G253-L283 WeakPolarHBondContact O-CA 3.34Å; Q276-L283 HydrophobicContact CB-CD1 4.45Å; Q276-L283 HydrophobicContact CG-CD1 4.33Å; C279-L283 PolarHBondContact O-N 2.95Å; L283-I287 HydrophobicContact CD1-CD1 4.07Å; L283-I287 HydrophobicContact CD1-CG1 4.2Å; L283-I287 HydrophobicContact CD2-CD1 4.3Å; L283-I287 HydrophobicContact CD2-CG1 3.96Å
284E98.8Very high98.8Very high130 Ų13064.1 Ų64.161%0.60731%0.314SS*.SBendtrans-83.6-18.5176.7-64.4-74.7177.400112.3G253 R254 N282G253-E284 PolarHBondContact O-N 3.35Å; R254-E284 HydrophobicContact CG-CB 4.16Å; N282-E284 PolarHBondContact O-N 2.74Å
285A98.8Very high98.8Very high5 Ų566.5 Ų66.54%0.04133%0.329CS..SBendtrans-150.6158.6179.200000110.5R254 I287 M319 Y322R254-A285 HydrophobicContact CG-CB 4.31Å; A285-I287 PolarHBondContact O-N 3.06Å; A285-M319 HydrophobicContact CB-CG 3.66Å; A285-Y322 HydrophobicContact CB-CD1 4.13Å; A285-Y322 HydrophobicContact CB-CG 4.02Å
286P98.9Very high98.8Very high71 Ų7171.2 Ų71.246%0.46136%0.359SS..PPolyproline II helixtrans-57.2136.4171.9-2333.4000111.3S288 Y322P286-S288 PolarHBondContact O-N 3.37Å; P286-Y322 VanDerWaalsContact CD-CE2 3.47Å; P286-Y322 VanDerWaalsContact CD-CZ 3.48Å; P286-Y322 HydrophobicContact CG-CD2 4.13Å; P286-Y322 HydrophobicContact CG-CE1 4.21Å; P286-Y322 HydrophobicContact CG-CE2 3.58Å
287I98.9Very high98.8Very high27 Ų2768 Ų6814%0.13834%0.344CS..PPolyproline II helixtrans-60.2127175.2-60.7172.2000109.1L255 I257 S272 V275 Q276 L283 A285L255-I287 HydrophobicContact CB-CG1 4.22Å; L255-I287 HydrophobicContact CB-CG2 4.05Å; L255-I287 HydrophobicContact CD2-CD1 4.31Å; L255-I287 HydrophobicContact CD2-CG1 4.5Å; L255-I287 HydrophobicContact CD2-CG2 3.83Å; L255-I287 HydrophobicContact CG-CG2 3.89Å; L255-I287 WeakPolarHBondContact O-CA 3.43Å; I257-I287 HydrophobicContact CD1-CG2 3.8Å; S272-I287 VanDerWaalsContact O-CD1 3.31Å; S272-I287 WeakPolarHBondContact O-CD1 3.33Å; S272-I287 WeakPolarHBondContact OG-CG2 3.28Å; V275-I287 HydrophobicContact CB-CD1 4.01Å; V275-I287 HydrophobicContact CG1-CD1 3.81Å; Q276-I287 HydrophobicContact CB-CD1 4.2Å; L283-I287 HydrophobicContact CD1-CD1 4.07Å; L283-I287 HydrophobicContact CD1-CG1 4.2Å; L283-I287 HydrophobicContact CD2-CD1 4.3Å; L283-I287 HydrophobicContact CD2-CG1 3.96Å; A285-I287 PolarHBondContact O-N 3.06Å
288S98.9Very high98.8Very high22 Ų2262.9 Ų62.915%0.15432%0.322CS..EExtended strand (participates in β ladder)trans-93137.5-178.7-176.20000111.4L255 L256 I257 P286L255-S288 PolarHBondContact O-N 3.2Å; L256-S288 WeakPolarHBondContact CA-O 3.3Å; I257-S288 PolarHBondContact N-O 2.68Å; P286-S288 PolarHBondContact O-N 3.37Å
289R98.9Very high98.8Very high89 Ų8962 Ų6234%0.33632%0.318SS..EExtended strand (participates in β ladder)trans-121.4117.4173.3-60.4-171.1-61.51342.3109.1I257 L263 A268I257-R289 WeakPolarHBondContact O-CA 3.33Å; L263-R289 HydrophobicContact CD1-CB 3.88Å; L263-R289 VanDerWaalsContact CD1-CZ 3.48Å; L263-R289 PolarHBondContact O-NH1 3.5Å; A268-R289 HydrophobicContact CB-CB 4.49Å; A268-R289 HydrophobicContact CB-CG 4.14Å; A268-R289 WeakPolarHBondContact O-CD 3.19Å
290V98.9Very high98.8Very high15 Ų1567.8 Ų67.89%0.09135%0.347CS..EExtended strand (participates in β ladder)trans-11799178.5-172.80000109L256 I257 S258 P307 K311 A315L256-V290 HydrophobicContact CD1-CG2 4.05Å; L256-V290 HydrophobicContact CD2-CG2 4.22Å; L256-V290 HydrophobicContact CG-CG2 4.18Å; I257-V290 PolarHBondContact O-N 3.42Å; S258-V290 VanDerWaalsContact CA-O 3.26Å; S258-V290 WeakPolarHBondContact CA-O 3.34Å; S258-V290 WeakPolarHBondContact CB-O 3.21Å; S258-V290 PolarHBondContact OG-O 3.24Å; V290-P307 HydrophobicContact CG1-CB 3.98Å; V290-P307 WeakPolarHBondContact O-CB 3.36Å; V290-K311 HydrophobicContact CG1-CB 3.91Å; V290-A315 HydrophobicContact CG2-CB 3.44Å; V290-A315 VanDerWaalsContact CG2-CB 3.44Å
291C98.9Very high98.8Very high13 Ų1367.8 Ų67.89%0.08835%0.347CS..EExtended strand (participates in β ladder)trans-125175.7-167.8-43.60000111.8H259 L263H259-C291 PolarHBondContact CD2-SG 3.35Å; H259-C291 PolarHBondContact NE2-SG 3.48Å; H259-C291 VanDerWaalsContact O-CA 3.3Å; H259-C291 WeakPolarHBondContact O-CA 3.39Å; L263-C291 HydrophobicContact CB-CB 4.05Å; L263-C291 HydrophobicContact CD1-CB 4.08Å; L263-C291 VanDerWaalsContact CD1-SG 3.52Å
292G98.6Very high98.8Very high1 Ų160.4 Ų60.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-60155.4161.800000111.3H259 A261 P262 L263H259-G292 PolarHBondContact O-N 3.32Å; A261-G292 PolarHBondContact O-N 3.18Å; P262-G292 WeakPolarHBondContact CA-O 3.42Å; L263-G292 PolarHBondContact N-O 3.3Å
293Y98.8Very high98.7Very high125 Ų12561.7 Ų61.749%0.4932%0.32SS..  trans-72.4161.7177.2-63.2-57000111.9T295 F304 Y305 K311Y293-T295 PolarHBondContact O-N 2.96Å; Y293-F304 VanDerWaalsContact CE2-O 3.32Å; Y293-F304 WeakPolarHBondContact CE2-O 3.29Å; Y293-Y305 HydrophobicContact CD2-CD2 4.3Å; Y293-Y305 WeakPolarHBondContact O-CE2 3.46Å; Y293-Y305 PolarHBondContact O-OH 3.05Å; Y293-K311 WeakPolarHBondContact OH-CE 3.42Å; Y293-K311 PolarHBondContact OH-NZ 3.47Å
294D98.8Very high98.7Very high91 Ų9166.5 Ų66.549%0.48734%0.339SS..SBendtrans-76.761.7174.5-65.4-35.4000111.3L263 T264L263-D294 PolarHBondContact N-OD1 2.69Å; T264-D294 VanDerWaalsContact CB-OD1 3.32Å; T264-D294 WeakPolarHBondContact CB-OD1 3.4Å; T264-D294 PolarHBondContact N-OD1 3.1Å; T264-D294 VanDerWaalsContact OG1-CG 3.3Å; T264-D294 PolarHBondContact OG1-OD1 3.45Å; T264-D294 PolarHBondContact OG1-OD2 2.95Å
295T98.8Very high98.7Very high70 Ų7060.7 Ų60.743%0.42931%0.312SS..SBendtrans-137.5159.7175.168.80000109.4Y293 Y305Y293-T295 PolarHBondContact O-N 2.96Å; T295-Y305 WeakPolarHBondContact OG1-CE2 3.36Å
296P98.8Very high98.7Very high98 Ų9862.6 Ų62.664%0.63632%0.321SS*.PPolyproline II helixtrans-53.5151.1159.1-23.334.5000110.8L124 P298L124-P296 HydrophobicContact CD2-CB 4.23Å; L124-P296 HydrophobicContact CG-CB 4.16Å; P296-P298 WeakPolarHBondContact O-CD 3.13Å
297F98.7Very high98.7Very high14 Ų1459.2 Ų59.26%0.06130%0.299CS..PPolyproline II helixtrans-69.3119.4-179.4-162.4-69.4000110.3C118 A123 L124 S127 E302 Y305 I306C118-F297 HydrophobicContact CB-CE1 4.43Å; C118-F297 HydrophobicContact CB-CE2 3.74Å; C118-F297 HydrophobicContact CB-CZ 3.43Å; C118-F297 VanDerWaalsContact CB-CZ 3.43Å; A123-F297 CarbonylContact C-O 3.5Å; A123-F297 WeakPolarHBondContact O-CD1 3.4Å; L124-F297 WeakPolarHBondContact CA-O 3.34Å; L124-F297 WeakPolarHBondContact CD1-O 3.28Å; L124-F297 PolarHBondContact N-O 3.32Å; S127-F297 VanDerWaalsContact CB-CG 3.43Å; F297-E302 HydrophobicContact CE1-CB 3.95Å; F297-E302 HydrophobicContact CE1-CG 3.58Å; F297-E302 WeakPolarHBondContact CE1-OE2 3.09Å; F297-E302 HydrophobicContact CZ-CB 4.45Å; F297-E302 HydrophobicContact CZ-CG 3.65Å; F297-Y305 AromaticContact CD2-CD1 3.86Å; F297-Y305 HydrophobicContact CD2-CD1 3.86Å; F297-Y305 AromaticContact CD2-CE1 3.42Å; F297-Y305 HydrophobicContact CD2-CE1 3.42Å; F297-Y305 VanDerWaalsContact CD2-CE1 3.42Å; F297-Y305 AromaticContact CE2-CD1 3.63Å; F297-Y305 HydrophobicContact CE2-CD1 3.63Å; F297-Y305 AromaticContact CE2-CE1 3.5Å; F297-Y305 HydrophobicContact CE2-CE1 3.5Å; F297-Y305 HydrophobicContact CG-CD1 4.48Å; F297-Y305 HydrophobicContact CG-CE1 4.26Å; F297-Y305 HydrophobicContact CZ-CD1 4.05Å; F297-Y305 HydrophobicContact CZ-CE1 4.37Å; F297-I306 HydrophobicContact CE2-CG2 4.37Å; F297-I306 HydrophobicContact CZ-CG2 4.05Å
298P98.5Very high98.7Very high22 Ų2260 Ų6014%0.14330%0.303CS..PPolyproline II helixtrans-84.6158.5-171.733.2-35.4000113.3P296 F301 Y305P296-P298 WeakPolarHBondContact O-CD 3.13Å; P298-F301 HydrophobicContact CB-CB 3.83Å; P298-F301 HydrophobicContact CB-CD2 4.16Å; P298-F301 HydrophobicContact CG-CB 3.82Å; P298-Y305 HydrophobicContact CG-CD2 4.18Å; P298-Y305 HydrophobicContact CG-CG 4.08Å
299H98.6Very high98.7Very high112 Ų11261.5 Ų61.552%0.51931%0.307SS..SBendtrans-77-78.8172.2-174.6-115.9000111.5H121 A123 F301 E302H121-H299 PolarHBondContact O-CD2 3.46Å; A123-H299 HydrophobicContact CB-CB 3.64Å; H299-F301 PolarHBondContact O-N 3.33Å; H299-E302 PolarHBondContact O-N 3.03Å
300I98.4Very high98.7Very high123 Ų12364.2 Ų64.263%0.63132%0.317SS*.THydrogen-bonded Turntrans-71.6-19-172.9-160.460.2000113.4
301F98.6Very high98.7Very high130 Ų13065.9 Ų65.957%0.5732%0.323SS*.THydrogen-bonded Turntrans-96.68.1-178.2-49.9-67.1000113.4P298 H299 P303 F304 Y305P298-F301 HydrophobicContact CB-CB 3.83Å; P298-F301 HydrophobicContact CB-CD2 4.16Å; P298-F301 HydrophobicContact CG-CB 3.82Å; H299-F301 PolarHBondContact O-N 3.33Å; F301-P303 VanDerWaalsContact C-CD 3.45Å; F301-P303 VanDerWaalsContact C-N 3.32Å; F301-F304 HydrophobicContact CB-CD2 4.37Å; F301-F304 HydrophobicContact CD1-CD2 4.29Å; F301-F304 WeakPolarHBondContact O-CA 3.48Å; F301-F304 PolarHBondContact O-N 3.07Å; F301-Y305 PolarHBondContact O-N 3.26Å
302E98.6Very high98.7Very high7 Ų765.3 Ų65.33%0.03332%0.319CS..Hα-helixtrans-50.1-44.7177.8177.5164.8169.700113C118 G120 H121 F297 H299 F304 Y305 I306C118-E302 WeakPolarHBondContact CB-OE1 3.37Å; G120-E302 WeakPolarHBondContact CA-OE1 3.31Å; G120-E302 VanDerWaalsContact CA-OE2 3.32Å; G120-E302 WeakPolarHBondContact CA-OE2 3.28Å; G120-E302 VanDerWaalsContact N-CD 3.35Å; G120-E302 PolarHBondContact N-OE1 3.12Å; G120-E302 PolarHBondContact N-OE2 3.48Å; H121-E302 PolarHBondContact N-OE2 3.19Å; F297-E302 HydrophobicContact CE1-CB 3.95Å; F297-E302 HydrophobicContact CE1-CG 3.58Å; F297-E302 WeakPolarHBondContact CE1-OE2 3.09Å; F297-E302 HydrophobicContact CZ-CB 4.45Å; F297-E302 HydrophobicContact CZ-CG 3.65Å; H299-E302 PolarHBondContact O-N 3.03Å; E302-F304 PolarHBondContact O-N 2.82Å; E302-F304 VanDerWaalsContact O-N 3.13Å; E302-Y305 PolarHBondContact O-N 3.48Å; E302-I306 HydrophobicContact CG-CG2 4.13Å; E302-I306 PolarHBondContact O-N 3.27Å
303P98.6Very high98.7Very high85 Ų8566.7 Ų66.755%0.55232%0.324SS*.Hα-helixtrans-60.7-24.9176.8-25.135.8000114.6F301F301-P303 VanDerWaalsContact C-CD 3.45Å; F301-P303 VanDerWaalsContact C-N 3.32Å
304F98.7Very high98.7Very high147 Ų14763.2 Ų63.265%0.64531%0.314SS*.Hα-helixtrans-91.1-22.6176.9-57.3-74.5000112.2Y293 F301 E302 K311Y293-F304 VanDerWaalsContact CE2-O 3.32Å; Y293-F304 WeakPolarHBondContact CE2-O 3.29Å; F301-F304 HydrophobicContact CB-CD2 4.37Å; F301-F304 HydrophobicContact CD1-CD2 4.29Å; F301-F304 WeakPolarHBondContact O-CA 3.48Å; F301-F304 PolarHBondContact O-N 3.07Å; E302-F304 PolarHBondContact O-N 2.82Å; E302-F304 VanDerWaalsContact O-N 3.13Å; F304-K311 PolarHBondContact O-NZ 3Å
305Y98.8Very high98.7Very high8 Ų859.8 Ų59.83%0.03130%0.299CS..Hα-helixtrans-78.9-51.5-176.5175.1-90.1000112.1Y293 T295 F297 P298 F301 E302 K311Y293-Y305 HydrophobicContact CD2-CD2 4.3Å; Y293-Y305 WeakPolarHBondContact O-CE2 3.46Å; Y293-Y305 PolarHBondContact O-OH 3.05Å; T295-Y305 WeakPolarHBondContact OG1-CE2 3.36Å; F297-Y305 AromaticContact CD2-CD1 3.86Å; F297-Y305 HydrophobicContact CD2-CD1 3.86Å; F297-Y305 AromaticContact CD2-CE1 3.42Å; F297-Y305 HydrophobicContact CD2-CE1 3.42Å; F297-Y305 VanDerWaalsContact CD2-CE1 3.42Å; F297-Y305 AromaticContact CE2-CD1 3.63Å; F297-Y305 HydrophobicContact CE2-CD1 3.63Å; F297-Y305 AromaticContact CE2-CE1 3.5Å; F297-Y305 HydrophobicContact CE2-CE1 3.5Å; F297-Y305 HydrophobicContact CG-CD1 4.48Å; F297-Y305 HydrophobicContact CG-CE1 4.26Å; F297-Y305 HydrophobicContact CZ-CD1 4.05Å; F297-Y305 HydrophobicContact CZ-CE1 4.37Å; P298-Y305 HydrophobicContact CG-CD2 4.18Å; P298-Y305 HydrophobicContact CG-CG 4.08Å; F301-Y305 PolarHBondContact O-N 3.26Å; E302-Y305 PolarHBondContact O-N 3.48Å; Y305-K311 PolarHBondContact O-NZ 3.2Å
306I98.6Very high98.7Very high45 Ų4556.5 Ų56.523%0.23128%0.278CS..SBendtrans-61147.5-167.759.3173.3000112.8F297 E302 D308 K311F297-I306 HydrophobicContact CE2-CG2 4.37Å; F297-I306 HydrophobicContact CZ-CG2 4.05Å; E302-I306 HydrophobicContact CG-CG2 4.13Å; E302-I306 PolarHBondContact O-N 3.27Å; I306-D308 HydrophobicContact CG1-CB 4.35Å; I306-D308 PolarHBondContact O-N 3.33Å; I306-K311 WeakPolarHBondContact O-CD 3.17Å; I306-K311 WeakPolarHBondContact O-CE 3.15Å; I306-K311 PolarHBondContact O-NZ 2.66Å
307P98.7Very high98.7Very high0 Ų056.4 Ų56.40%027%0.265CS..  trans-73.870.9172.531.7-35.7000110.5Q210 H259 V290Q210-P307 PolarHBondContact NE2-O 3.13Å; H259-P307 WeakPolarHBondContact O-CG 3.47Å; V290-P307 HydrophobicContact CG1-CB 3.98Å; V290-P307 WeakPolarHBondContact O-CB 3.36Å
308D98.8Very high98.7Very high42 Ų4261.7 Ų61.723%0.22529%0.288CS..  trans-66.6174.1-177.775.910.9000113.4I306 W310 K311 C312I306-D308 HydrophobicContact CG1-CB 4.35Å; I306-D308 PolarHBondContact O-N 3.33Å; D308-W310 PolarHBondContact O-N 3.14Å; D308-W310 WeakPolarHBondContact OD1-CA 3.17Å; D308-W310 WeakPolarHBondContact OD1-CB 3.07Å; D308-W310 PolarHBondContact OD1-N 3.2Å; D308-K311 PolarHBondContact O-N 2.83Å; D308-K311 PolarHBondContact OD1-N 3.41Å; D308-C312 PolarHBondContact O-N 2.92Å; D308-C312 PolarHBondContact O-SG 3.04Å
309K98.8Very high98.8Very high55 Ų5561.2 Ų61.224%0.23928%0.284CS..Hα-helixtrans-58.2-29.9178.867.8-170.8177.6-171.90113.7V213 E216 V217 M220 Y313V213-K309 HydrophobicContact CG1-CB 4.07Å; E216-K309 HydrophobicContact CG-CD 4.17Å; E216-K309 WeakPolarHBondContact OE1-CD 3.31Å; E216-K309 IonicContact OE1-NZ 2.6Å; E216-K309 PolarHBondContact OE1-NZ 2.93Å; E216-K309 WeakPolarHBondContact OE2-CD 3.38Å; E216-K309 IonicContact OE2-NZ 2.6Å; E216-K309 PolarHBondContact OE2-NZ 3.38Å; V217-K309 HydrophobicContact CG2-CB 3.97Å; V217-K309 WeakPolarHBondContact CG2-O 3.45Å; M220-K309 HydrophobicContact SD-CB 4.26Å; M220-K309 HydrophobicContact SD-CD 4.14Å; M220-K309 HydrophobicContact SD-CG 4.25Å; K309-Y313 WeakPolarHBondContact O-CB 3.33Å; K309-Y313 PolarHBondContact O-N 3.06Å
310W98.8Very high98.7Very high145 Ų14557.9 Ų57.955%0.54927%0.27SS..Hα-helixtrans-75.8-41.4-178.2-60.6115.2000111.1M220 D308 Y313 D314M220-W310 HydrophobicContact CE-CD2 4.33Å; M220-W310 HydrophobicContact CE-CE3 3.49Å; M220-W310 VanDerWaalsContact CE-CE3 3.49Å; M220-W310 HydrophobicContact CE-CH2 3.94Å; M220-W310 HydrophobicContact CE-CZ3 3.26Å; D308-W310 PolarHBondContact O-N 3.14Å; D308-W310 WeakPolarHBondContact OD1-CA 3.17Å; D308-W310 WeakPolarHBondContact OD1-CB 3.07Å; D308-W310 PolarHBondContact OD1-N 3.2Å; W310-Y313 PolarHBondContact O-N 3.24Å; W310-D314 WeakPolarHBondContact O-CB 3.41Å; W310-D314 PolarHBondContact O-N 3.04Å
311K98.9Very high98.7Very high51 Ų5157.5 Ų57.522%0.22227%0.269CS..Hα-helixtrans-60.2-47.7171.1-69.7177.2-179.41770110.9V290 Y293 F304 Y305 I306 D308 A315V290-K311 HydrophobicContact CG1-CB 3.91Å; Y293-K311 WeakPolarHBondContact OH-CE 3.42Å; Y293-K311 PolarHBondContact OH-NZ 3.47Å; F304-K311 PolarHBondContact O-NZ 3Å; Y305-K311 PolarHBondContact O-NZ 3.2Å; I306-K311 WeakPolarHBondContact O-CD 3.17Å; I306-K311 WeakPolarHBondContact O-CE 3.15Å; I306-K311 PolarHBondContact O-NZ 2.66Å; D308-K311 PolarHBondContact O-N 2.83Å; D308-K311 PolarHBondContact OD1-N 3.41Å; K311-A315 WeakPolarHBondContact O-CB 3.38Å; K311-A315 PolarHBondContact O-N 2.76Å; K311-A315 VanDerWaalsContact O-N 3.08Å
312C98.9Very high98.6Very high0 Ų061.1 Ų61.10%028%0.28CS..Hα-helixtrans-62.3-45.3177.6-71.30000112.2V217 S258 D308 A315 L316V217-C312 HydrophobicContact CG1-CB 4.38Å; V217-C312 HydrophobicContact CG2-CB 3.53Å; S258-C312 PolarHBondContact OG-SG 3.32Å; D308-C312 PolarHBondContact O-N 2.92Å; D308-C312 PolarHBondContact O-SG 3.04Å; C312-A315 PolarHBondContact O-N 3.27Å; C312-L316 WeakPolarHBondContact O-CB 3.37Å; C312-L316 PolarHBondContact O-N 2.91Å
313Y98.9Very high98.6Very high30 Ų3063.8 Ų63.812%0.11829%0.293CS..Hα-helixtrans-64.6-42.9178.7174.9-96.4000112.8M220 K224 L225 K309 W310 L316 R317M220-Y313 HydrophobicContact CB-CD2 3.78Å; M220-Y313 HydrophobicContact CB-CE2 4.04Å; M220-Y313 HydrophobicContact CE-CD1 4.15Å; M220-Y313 HydrophobicContact CE-CD2 3.93Å; M220-Y313 HydrophobicContact CE-CG 3.67Å; K224-Y313 HydrophobicContact CB-CE2 4.35Å; K224-Y313 WeakPolarHBondContact CB-OH 3.06Å; K224-Y313 HydrophobicContact CD-CE1 4.47Å; K224-Y313 HydrophobicContact CD-CE2 4.12Å; K224-Y313 WeakPolarHBondContact CD-OH 3.06Å; L225-Y313 HydrophobicContact CD1-CE2 4.01Å; L225-Y313 HydrophobicContact CG-CE2 4.3Å; K309-Y313 WeakPolarHBondContact O-CB 3.33Å; K309-Y313 PolarHBondContact O-N 3.06Å; W310-Y313 PolarHBondContact O-N 3.24Å; Y313-L316 PolarHBondContact O-N 2.74Å; Y313-R317 WeakPolarHBondContact O-CB 3.39Å; Y313-R317 PolarHBondContact O-N 3.16Å
314D98.9Very high98.6Very high53 Ų5362.7 Ų62.728%0.28328%0.279SS..Hα-helixtrans-67.2-40178.2-177.260.9000112W310 R317 K318W310-D314 WeakPolarHBondContact O-CB 3.41Å; W310-D314 PolarHBondContact O-N 3.04Å; D314-R317 PolarHBondContact O-N 3.21Å; D314-R317 IonicContact OD1-CZ 3.54Å; D314-R317 IonicContact OD1-NE 3.36Å; D314-R317 PolarHBondContact OD1-NE 2.76Å; D314-R317 IonicContact OD1-NH2 2.82Å; D314-R317 PolarHBondContact OD1-NH2 2.69Å; D314-K318 WeakPolarHBondContact O-CG 3.4Å; D314-K318 PolarHBondContact O-N 3.48Å; D314-K318 WeakPolarHBondContact OD2-CE 3.46Å; D314-K318 IonicContact OD2-NZ 2.67Å; D314-K318 PolarHBondContact OD2-NZ 3.33Å
315A98.9Very high98.6Very high19 Ų1958 Ų5816%0.15726%0.259CS..Hα-helixtrans-62.7-43.4173.900000111.8L256 V290 K311 C312 K318 M319L256-A315 HydrophobicContact CD1-CB 4.05Å; V290-A315 HydrophobicContact CG2-CB 3.44Å; V290-A315 VanDerWaalsContact CG2-CB 3.44Å; K311-A315 WeakPolarHBondContact O-CB 3.38Å; K311-A315 PolarHBondContact O-N 2.76Å; K311-A315 VanDerWaalsContact O-N 3.08Å; C312-A315 PolarHBondContact O-N 3.27Å; A315-K318 PolarHBondContact O-N 2.82Å; A315-M319 WeakPolarHBondContact O-CB 3.42Å; A315-M319 PolarHBondContact O-N 3.23Å
316L98.9Very high98.6Very high0 Ų060.9 Ų60.90%027%0.272CS..Hα-helixtrans-59-49.9173.7171.860.3000111.2V202 L204 V217 A221 L256 C312 Y313 K318 M319 I320V202-L316 HydrophobicContact CB-CD1 4.11Å; V202-L316 HydrophobicContact CG1-CD1 3.78Å; V202-L316 HydrophobicContact CG2-CD1 3.74Å; L204-L316 HydrophobicContact CD2-CD1 4.48Å; V217-L316 HydrophobicContact CG1-CD2 3.84Å; A221-L316 HydrophobicContact CB-CD2 3.56Å; L256-L316 HydrophobicContact CD1-CB 4.03Å; C312-L316 WeakPolarHBondContact O-CB 3.37Å; C312-L316 PolarHBondContact O-N 2.91Å; Y313-L316 PolarHBondContact O-N 2.74Å; L316-K318 VanDerWaalsContact C-N 3.28Å; L316-K318 PolarHBondContact O-N 3.48Å; L316-M319 HydrophobicContact CD1-CE 3.91Å; L316-M319 WeakPolarHBondContact O-CB 3.48Å; L316-M319 PolarHBondContact O-N 3.16Å; L316-M319 VanDerWaalsContact O-N 3.08Å; L316-I320 HydrophobicContact CD1-CD1 4.2Å; L316-I320 HydrophobicContact CD1-CG1 3.83Å; L316-I320 HydrophobicContact CG-CG1 4.31Å; L316-I320 WeakPolarHBondContact O-CG1 3.25Å; L316-I320 PolarHBondContact O-N 3.36Å
317R98.8Very high98.6Very high96 Ų9661.9 Ų61.936%0.36228%0.275SS..Hα-helixtrans-56.8-42.2178.9-176.4-171.867.492.90.4111.6L225 Y313 D314 N321L225-R317 HydrophobicContact CD1-CB 4.07Å; L225-R317 HydrophobicContact CD1-CG 4.1Å; L225-R317 HydrophobicContact CD2-CG 4.36Å; Y313-R317 WeakPolarHBondContact O-CB 3.39Å; Y313-R317 PolarHBondContact O-N 3.16Å; D314-R317 PolarHBondContact O-N 3.21Å; D314-R317 IonicContact OD1-CZ 3.54Å; D314-R317 IonicContact OD1-NE 3.36Å; D314-R317 PolarHBondContact OD1-NE 2.76Å; D314-R317 IonicContact OD1-NH2 2.82Å; D314-R317 PolarHBondContact OD1-NH2 2.69Å; R317-N321 PolarHBondContact O-N 2.85Å; R317-N321 PolarHBondContact O-ND2 3.22Å
318K98.9Very high98.6Very high126 Ų12666.1 Ų66.155%0.54829%0.293SS..Hα-helixtrans-63.3-44.5175.6-74.4165.8174.3161.60111.6D314 A315 L316 I320 N321 Y322D314-K318 WeakPolarHBondContact O-CG 3.4Å; D314-K318 PolarHBondContact O-N 3.48Å; D314-K318 WeakPolarHBondContact OD2-CE 3.46Å; D314-K318 IonicContact OD2-NZ 2.67Å; D314-K318 PolarHBondContact OD2-NZ 3.33Å; A315-K318 PolarHBondContact O-N 2.82Å; L316-K318 VanDerWaalsContact C-N 3.28Å; L316-K318 PolarHBondContact O-N 3.48Å; K318-I320 PolarHBondContact O-N 2.51Å; K318-N321 CarbonylContact O-C 3.56Å; K318-N321 PolarHBondContact O-N 2.86Å; K318-Y322 PolarHBondContact O-N 3.46Å
319M98.8Very high98.6Very high12 Ų1267.8 Ų67.86%0.05930%0.298CS..Hα-helixtrans-65.5-35.6179.5-172.7176.264.300113.3V202 R254 L255 L256 A285 A315 L316 N321 Y322V202-M319 HydrophobicContact CB-CE 4.47Å; V202-M319 HydrophobicContact CG2-CE 3.28Å; R254-M319 HydrophobicContact CB-CE 4.02Å; R254-M319 HydrophobicContact CB-SD 4.24Å; L255-M319 VanDerWaalsContact O-SD 3.33Å; L256-M319 HydrophobicContact CB-CE 3.96Å; A285-M319 HydrophobicContact CB-CG 3.66Å; A315-M319 WeakPolarHBondContact O-CB 3.42Å; A315-M319 PolarHBondContact O-N 3.23Å; L316-M319 HydrophobicContact CD1-CE 3.91Å; L316-M319 WeakPolarHBondContact O-CB 3.48Å; L316-M319 PolarHBondContact O-N 3.16Å; L316-M319 VanDerWaalsContact O-N 3.08Å; M319-N321 PolarHBondContact O-N 3.4Å; M319-Y322 WeakPolarHBondContact O-CB 3.44Å; M319-Y322 PolarHBondContact O-N 3.11Å
320I98.6Very high98.6Very high41 Ų4168.8 Ų68.821%0.2130%0.303CS..Hα-helixtrans-66.3-27.5175.6-68.1-66000112.1V202 V227 L316 K318V202-I320 HydrophobicContact CB-CD1 4.35Å; V227-I320 HydrophobicContact CG1-CD1 3.69Å; V227-I320 HydrophobicContact CG1-CG1 4.2Å; V227-I320 HydrophobicContact CG2-CD1 4.19Å; V227-I320 HydrophobicContact CG2-CG1 4.16Å; V227-I320 HydrophobicContact CG2-CG2 3.99Å; L316-I320 HydrophobicContact CD1-CD1 4.2Å; L316-I320 HydrophobicContact CD1-CG1 3.83Å; L316-I320 HydrophobicContact CG-CG1 4.31Å; L316-I320 WeakPolarHBondContact O-CG1 3.25Å; L316-I320 PolarHBondContact O-N 3.36Å; K318-I320 PolarHBondContact O-N 2.51Å
321N98.3Very high98.6Very high116 Ų11662.4 Ų62.462%0.6228%0.282SS*.THydrogen-bonded Turntrans-101.816.4-178.9-65.2-62.3000113.4R317 K318 M319R317-N321 PolarHBondContact O-N 2.85Å; R317-N321 PolarHBondContact O-ND2 3.22Å; K318-N321 CarbonylContact O-C 3.56Å; K318-N321 PolarHBondContact O-N 2.86Å; M319-N321 PolarHBondContact O-N 3.4Å
322Y96.6Very high98.6Very high205 Ų20563.5 Ų63.580%0.80429%0.287SS*.  trans-66.70-179-172-94000112.1A285 P286 K318 M319A285-Y322 HydrophobicContact CB-CD1 4.13Å; A285-Y322 HydrophobicContact CB-CG 4.02Å; P286-Y322 VanDerWaalsContact CD-CE2 3.47Å; P286-Y322 VanDerWaalsContact CD-CZ 3.48Å; P286-Y322 HydrophobicContact CG-CD2 4.13Å; P286-Y322 HydrophobicContact CG-CE1 4.21Å; P286-Y322 HydrophobicContact CG-CE2 3.58Å; K318-Y322 PolarHBondContact O-N 3.46Å; M319-Y322 WeakPolarHBondContact O-CB 3.44Å; M319-Y322 PolarHBondContact O-N 3.11Å

Retrieved 322 of 322 residues in 2685.5 ms (Link to these results)

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