A0A087X6N1_POEFO Loading...

D-aminoacyl-tRNA deacylase

AlphaFold DB , UniProt , Accession A0A087X6N1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 169 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
1M35.9Very low67.8Low241 Ų24194.6 Ų94.6100%1.18753%0.527SS*.  01160-71.2-165.4-91.100106.8E3M1-E3 PolarHBondContact O-N 2.74Å
2A34.4Very low70.3Confident103 Ų10388.5 Ų88.585%0.85149%0.494SS*.PPolyproline II helixtrans-61.7119.5176.300000108.1K4A2-K4 PolarHBondContact O-N 2.92Å
3E40.7Very low72.5Confident156 Ų15681.7 Ų81.773%0.72946%0.456SS*.PPolyproline II helixtrans-54116.2166.4-95.5-176.7135.100106M1 V5 K97M1-E3 PolarHBondContact O-N 2.74Å; E3-V5 PolarHBondContact O-N 3.1Å; E3-V5 VanDerWaalsContact O-N 3.15Å; E3-K97 IonicContact OE1-NZ 3.95Å; E3-K97 PolarHBondContact OE1-NZ 3.41Å
4K45.7Very low74.4Confident201 Ų20178.1 Ų78.187%0.87443%0.433SS*.PPolyproline II helixtrans-48127.5163.1-88.9-177.8172.6-178.90105.8A2 G6A2-K4 PolarHBondContact O-N 2.92Å; K4-G6 VanDerWaalsContact C-N 3.29Å; K4-G6 PolarHBondContact O-N 3.19Å
5V47.5Very low76Confident144 Ų14474.3 Ų74.387%0.87341%0.411SS*.  trans-50.7103.5168.6-179.90000105.6E3E3-V5 PolarHBondContact O-N 3.1Å; E3-V5 VanDerWaalsContact O-N 3.15Å
6G65.8Low77.3Confident50 Ų5070 Ų7052%0.51539%0.388SS..  trans-66.4153.7179.400000108.4K4 L8K4-G6 VanDerWaalsContact C-N 3.29Å; K4-G6 PolarHBondContact O-N 3.19Å; G6-L8 PolarHBondContact O-N 3.4Å
7G84.8Confident78.5Confident19 Ų1970.2 Ų70.220%0.19639%0.388CS..  trans-50.9143.9171.500000110.9V9 F48 F169G7-V9 VanDerWaalsContact C-N 3.28Å; G7-F48 WeakPolarHBondContact O-CD2 3.21Å; G7-F169 CarbonylContact C-O 3.13Å; G7-F169 WeakPolarHBondContact CA-O 3.46Å
8L95.5Very high79.6Confident62 Ų6269.9 Ų69.933%0.32538%0.383SS..SBendtrans-77.8-15173.9-62177.5000112.1G6 F48 A51 I55 F169G6-L8 PolarHBondContact O-N 3.4Å; L8-F48 WeakPolarHBondContact O-CB 3.31Å; L8-F48 WeakPolarHBondContact O-CD2 3.35Å; L8-F48 PolarHBondContact O-N 2.82Å; L8-A51 HydrophobicContact CB-CB 4.03Å; L8-I55 HydrophobicContact CB-CD1 4.4Å; L8-F169 PolarHBondContact N-O 3.42Å
9V98Very high80.6Confident0 Ų066.3 Ų66.30%036%0.363CS..EExtended strand (participates in β ladder)trans-134.2139.7172.1-166.30000110.3G7 I45 C46 F47 A51 I55 M59 D168 F169G7-V9 VanDerWaalsContact C-N 3.28Å; V9-I45 HydrophobicContact CG1-CD1 3.95Å; V9-I45 HydrophobicContact CG1-CG1 3.8Å; V9-C46 WeakPolarHBondContact CA-O 3.48Å; V9-C46 WeakPolarHBondContact CG1-O 3.49Å; V9-F47 HydrophobicContact CB-CD1 4.29Å; V9-F47 HydrophobicContact CG1-CD1 3.75Å; V9-F47 HydrophobicContact CG1-CE1 3.82Å; V9-F47 HydrophobicContact CG1-CG 4.48Å; V9-F47 HydrophobicContact CG2-CD1 3.58Å; V9-F47 HydrophobicContact CG2-CE1 3.94Å; V9-A51 HydrophobicContact CG2-CB 4.32Å; V9-I55 HydrophobicContact CG2-CD1 4.19Å; V9-I55 HydrophobicContact CG2-CG2 3.82Å; V9-M59 HydrophobicContact CB-SD 3.88Å; V9-M59 HydrophobicContact CG1-CE 4.06Å; V9-M59 HydrophobicContact CG1-SD 3.55Å; V9-M59 VanDerWaalsContact CG1-SD 3.55Å; V9-M59 HydrophobicContact CG2-SD 4.29Å; V9-D168 CarbonylContact O-C 3.51Å; V9-D168 WeakPolarHBondContact O-CA 3.43Å; V9-F169 HydrophobicContact CB-CB 4.31Å; V9-F169 PolarHBondContact N-O 3.47Å; V9-F169 PolarHBondContact O-N 2.98Å
10R98.4Very high81.5Confident65 Ų6567.2 Ų67.225%0.24536%0.361CS..EExtended strand (participates in β ladder)trans-118135.1171.7176168.4-69.7162.90.4110.5C46 F48 L94 L166 M167 D168R10-C46 PolarHBondContact N-O 2.87Å; R10-C46 PolarHBondContact O-N 3.23Å; R10-F48 HydrophobicContact CB-CE2 3.7Å; R10-F48 HydrophobicContact CB-CZ 3.97Å; R10-L94 WeakPolarHBondContact CD-O 3.23Å; R10-L94 HydrophobicContact CG-CB 4.18Å; R10-L94 HydrophobicContact CG-CD1 4.41Å; R10-L94 PolarHBondContact NH1-O 3.37Å; R10-L166 HydrophobicContact CG-CG 4.45Å; R10-M167 WeakPolarHBondContact CA-O 3.44Å; R10-D168 WeakPolarHBondContact CB-OD1 3.48Å; R10-D168 WeakPolarHBondContact CG-OD1 3.45Å; R10-D168 IonicContact CZ-OD1 3.76Å; R10-D168 IonicContact CZ-OD2 3.43Å; R10-D168 IonicContact NE-OD1 3.7Å; R10-D168 PolarHBondContact NE-OD1 3.13Å; R10-D168 IonicContact NE-OD2 3.33Å; R10-D168 IonicContact NH2-OD1 2.9Å; R10-D168 PolarHBondContact NH2-OD1 3.44Å; R10-D168 IonicContact NH2-OD2 3.47Å; R10-D168 PolarHBondContact NH2-OD2 3.36Å
11T98.7Very high82.3Confident0 Ų064 Ų640%034%0.344CS..EExtended strand (participates in β ladder)trans-126.2147.5173.560.10000112.2I43 Y44 I45 M59 L63 L166 M167 F169T11-I43 HydrophobicContact CG2-CG2 4.37Å; T11-Y44 CarbonylContact C-O 3.56Å; T11-Y44 WeakPolarHBondContact CA-O 3.46Å; T11-I45 HydrophobicContact CG2-CB 4.29Å; T11-I45 HydrophobicContact CG2-CD1 4.2Å; T11-I45 HydrophobicContact CG2-CG1 4Å; T11-M59 HydrophobicContact CG2-SD 4.33Å; T11-L63 HydrophobicContact CG2-CD1 4.05Å; T11-L166 WeakPolarHBondContact O-CA 3.35Å; T11-M167 PolarHBondContact N-O 2.84Å; T11-M167 PolarHBondContact O-N 3.48Å; T11-F169 HydrophobicContact CG2-CE2 4.4Å
12V98.8Very high85.3Confident21 Ų2153.6 Ų53.613%0.12729%0.292CS..EExtended strand (participates in β ladder)trans-116.1131.7161.7174.90000108.1Y44 L94 T164 H165 L166V12-Y44 HydrophobicContact CB-CD2 4.11Å; V12-Y44 HydrophobicContact CG1-CD2 4.15Å; V12-Y44 PolarHBondContact N-O 2.77Å; V12-Y44 WeakPolarHBondContact O-CD2 3.4Å; V12-Y44 PolarHBondContact O-N 2.9Å; V12-L94 HydrophobicContact CB-CD1 4.49Å; V12-L94 HydrophobicContact CG2-CD1 4.06Å; V12-L94 HydrophobicContact CG2-CD2 3.67Å; V12-T164 HydrophobicContact CG1-CG2 3.49Å; V12-T164 VanDerWaalsContact CG1-CG2 3.49Å; V12-H165 CarbonylContact C-O 3.56Å; V12-H165 VanDerWaalsContact CA-O 3.28Å; V12-H165 WeakPolarHBondContact CA-O 3.42Å; V12-L166 HydrophobicContact CG2-CB 4.49Å; V12-L166 HydrophobicContact CG2-CD1 4.32Å; V12-L166 HydrophobicContact CG2-CG 4.47Å
13L98.7Very high88.3Confident0 Ų050 Ų500%026%0.259CS..EExtended strand (participates in β ladder)trans-114.7137.8-178.6-55170.3000109.6M41 V42 I43 L63 L66 L68 T164 H165 M167L13-M41 HydrophobicContact CB-SD 4.26Å; L13-M41 HydrophobicContact CD2-CE 4.42Å; L13-M41 HydrophobicContact CD2-SD 4.1Å; L13-V42 WeakPolarHBondContact CA-O 3.45Å; L13-I43 HydrophobicContact CD2-CB 4.11Å; L13-I43 HydrophobicContact CD2-CD1 4.38Å; L13-I43 HydrophobicContact CD2-CG1 3.73Å; L13-I43 HydrophobicContact CD2-CG2 3.82Å; L13-L63 HydrophobicContact CD1-CD2 3.68Å; L13-L63 HydrophobicContact CD2-CD2 3.93Å; L13-L63 HydrophobicContact CG-CD2 4.21Å; L13-L66 HydrophobicContact CD1-CD1 3.78Å; L13-L68 HydrophobicContact CB-CD1 3.83Å; L13-L68 HydrophobicContact CD1-CD1 3.64Å; L13-L68 HydrophobicContact CG-CD1 4.4Å; L13-T164 CarbonylContact O-C 3.44Å; L13-T164 VanDerWaalsContact O-CA 3.27Å; L13-T164 WeakPolarHBondContact O-CA 3.37Å; L13-H165 PolarHBondContact N-O 2.97Å; L13-H165 PolarHBondContact O-N 2.9Å; L13-M167 HydrophobicContact CD1-SD 3.96Å
14Q98.6Very high90.9Very high31 Ų3145.7 Ų45.715%0.14524%0.239CC..EExtended strand (participates in β ladder)trans-139.5138.2172.8-62.1-174.4-61.600110M41 V42 Y44 P162 T164Q14-M41 CarbonylContact O-C 3.54Å; Q14-M41 WeakPolarHBondContact O-CA 3.24Å; Q14-V42 PolarHBondContact N-O 3.03Å; Q14-V42 PolarHBondContact O-N 3.33Å; Q14-Y44 HydrophobicContact CG-CE2 4.31Å; Q14-Y44 VanDerWaalsContact OE1-CE2 3.28Å; Q14-Y44 PolarHBondContact OE1-OH 3.06Å; Q14-P162 CarbonylContact C-O 3.57Å; Q14-P162 VanDerWaalsContact CA-O 3.29Å; Q14-P162 WeakPolarHBondContact CA-O 3.16Å; Q14-P162 HydrophobicContact CB-CB 4.25Å; Q14-P162 HydrophobicContact CG-CB 4.25Å; Q14-T164 HydrophobicContact CG-CG2 3.95Å; Q14-T164 PolarHBondContact NE2-OG1 3.46Å
15Q98.1Very high93.1Very high22 Ų2240.9 Ų40.910%0.10322%0.22CC..EExtended strand (participates in β ladder)trans-78.8149.1166.864.8173.9-19.700110.4G40 L68 T159 G161 P162Q15-G40 WeakPolarHBondContact CA-O 3.37Å; Q15-L68 PolarHBondContact OE1-O 2.89Å; Q15-T159 WeakPolarHBondContact O-CG2 3.38Å; Q15-G161 WeakPolarHBondContact CG-O 3.46Å; Q15-G161 PolarHBondContact NE2-O 3.33Å; Q15-G161 VanDerWaalsContact NE2-O 3.09Å; Q15-P162 PolarHBondContact N-O 3.25Å
16C97.9Very high95.2Very high5 Ų536.8 Ų36.83%0.03420%0.201CC..EExtended strand (participates in β ladder)trans-139.1153.9177.165.20000112.5R39 G40 V42 L157 T159C16-R39 WeakPolarHBondContact O-CA 3.41Å; C16-G40 PolarHBondContact N-O 3.31Å; C16-G40 PolarHBondContact O-N 3.05Å; C16-G40 VanDerWaalsContact O-N 3.07Å; C16-V42 HydrophobicContact CB-CG2 4.3Å; C16-L157 HydrophobicContact CB-CD1 3.55Å; C16-L157 HydrophobicContact CB-CG 4.48Å; C16-T159 HydrophobicContact CB-CG2 4.4Å
17L97.3Very high96.5Very high74 Ų7438.7 Ų38.739%0.38720%0.2SC..SBendtrans-83.5-40.7165.9-61-178.5000110.4N38 R39 D158 N160L17-N38 CarbonylContact O-C 3.59Å; L17-R39 WeakPolarHBondContact O-CA 3.29Å; L17-R39 PolarHBondContact O-N 3.28Å; L17-D158 PolarHBondContact N-O 3.44Å; L17-N160 HydrophobicContact CD1-CB 4.13Å; L17-N160 HydrophobicContact CD2-CB 4.5Å; L17-N160 HydrophobicContact CG-CB 4.45Å
18H98.1Very high96.7Very high64 Ų6447.2 Ų47.230%0.29623%0.234SC..EExtended strand (participates in β ladder)trans-152.2142.8176.1179.925.4000109.2I37 D158H18-I37 WeakPolarHBondContact CA-O 3.38Å; H18-I37 PolarHBondContact ND1-O 3.43Å; H18-D158 HydrophobicContact CB-CB 4.34Å; H18-D158 PolarHBondContact N-O 3.47Å; H18-D158 PolarHBondContact O-N 2.85Å
19A98.6Very high96.5Very high1 Ų152.7 Ų52.71%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-135143.1168.900000110.7Q36 I37 V42 L87 Q156 L157A19-Q36 VanDerWaalsContact O-CA 3.29Å; A19-Q36 WeakPolarHBondContact O-CA 3.34Å; A19-I37 HydrophobicContact CB-CD1 4.28Å; A19-I37 HydrophobicContact CB-CG1 3.79Å; A19-I37 PolarHBondContact N-O 3.3Å; A19-I37 PolarHBondContact O-N 3.31Å; A19-V42 HydrophobicContact CB-CG2 4.1Å; A19-L87 HydrophobicContact CB-CD2 3.54Å; A19-Q156 WeakPolarHBondContact CA-O 3.19Å; A19-L157 HydrophobicContact CB-CD1 3.59Å
20R98.7Very high96.2Very high85 Ų8556.6 Ų56.632%0.32128%0.279SS..EExtended strand (participates in β ladder)trans-128.7125.5176178.3-175.9-179.7177.1-2.4109.3Y34 V35 Q36 Q156R20-Y34 HydrophobicContact CG-CD1 3.87Å; R20-Y34 HydrophobicContact CG-CG 4.26Å; R20-Y34 VanDerWaalsContact NE-CD1 3.3Å; R20-Y34 VanDerWaalsContact NE-CG 3.27Å; R20-Y34 VanDerWaalsContact NH2-CE2 3.35Å; R20-V35 WeakPolarHBondContact CA-O 3.42Å; R20-Q36 HydrophobicContact CB-CG 3.89Å; R20-Q36 HydrophobicContact CG-CG 3.79Å; R20-Q156 HydrophobicContact CB-CB 4.35Å; R20-Q156 PolarHBondContact N-O 3.3Å; R20-Q156 PolarHBondContact O-N 3.01Å
21L98.8Very high96Very high0 Ų061.4 Ų61.40%030%0.304CS..EExtended strand (participates in β ladder)trans-125.9133.9-178.2-178.466.3000110.6Y34 V35 L87 V89 Q153 L155L21-Y34 CarbonylContact O-C 3.57Å; L21-Y34 VanDerWaalsContact O-CA 3.24Å; L21-Y34 WeakPolarHBondContact O-CA 3.46Å; L21-V35 HydrophobicContact CB-CG2 4.13Å; L21-V35 PolarHBondContact N-O 2.98Å; L21-V35 PolarHBondContact O-N 3.46Å; L21-L87 HydrophobicContact CB-CD1 4Å; L21-L87 HydrophobicContact CB-CD2 4.07Å; L21-L87 HydrophobicContact CD2-CD1 3.8Å; L21-L87 HydrophobicContact CD2-CG 4.38Å; L21-V89 HydrophobicContact CD2-CG2 4.09Å; L21-Q153 HydrophobicContact CD1-CB 4.1Å; L21-L155 HydrophobicContact CB-CD1 4.29Å; L21-L155 HydrophobicContact CD1-CB 4.1Å; L21-L155 HydrophobicContact CD1-CD1 4.21Å
22Q98.4Very high95.9Very high23 Ų2362.4 Ų62.411%0.10731%0.312CS..EExtended strand (participates in β ladder)trans-72.5133171.4-167.4-179.8-19.600110.8Q24 E25 A32 Q33 Y34 V154Q22-Q24 WeakPolarHBondContact CG-O 3.33Å; Q22-Q24 PolarHBondContact NE2-O 3.31Å; Q22-E25 VanDerWaalsContact NE2-CA 3.33Å; Q22-A32 HydrophobicContact CG-CB 4.21Å; Q22-Q33 CarbonylContact C-O 3.54Å; Q22-Q33 WeakPolarHBondContact CA-O 3.41Å; Q22-Q33 WeakPolarHBondContact CG-O 3.46Å; Q22-Y34 HydrophobicContact CB-CD1 3.81Å; Q22-Y34 HydrophobicContact CB-CE1 3.6Å; Q22-Y34 HydrophobicContact CG-CD1 4.3Å; Q22-Y34 HydrophobicContact CG-CE1 3.94Å; Q22-V154 HydrophobicContact CB-CB 3.83Å; Q22-V154 PolarHBondContact N-O 3.09Å; Q22-V154 VanDerWaalsContact OE1-CB 3.25Å
23V97.7Very high95.8Very high26 Ų2666 Ų6616%0.15833%0.328CS..EExtended strand (participates in β ladder)trans-119-13.7-179.4-65.70000113.4Q33 V35 H146 T148 Q151V23-Q33 HydrophobicContact CG2-CB 4.07Å; V23-Q33 PolarHBondContact N-O 3.34Å; V23-V35 HydrophobicContact CG1-CB 4.24Å; V23-V35 HydrophobicContact CG1-CG1 3.75Å; V23-V35 HydrophobicContact CG1-CG2 3.6Å; V23-V35 HydrophobicContact CG2-CG1 4.02Å; V23-H146 WeakPolarHBondContact CG1-O 3.44Å; V23-T148 WeakPolarHBondContact O-CB 3.39Å; V23-T148 PolarHBondContact O-OG1 3.26Å; V23-Q151 PolarHBondContact O-OE1 2.59Å
24Q95.6Very high95.8Very high67 Ų6770.4 Ų70.431%0.31335%0.345SS..EExtended strand (participates in β ladder)trans-140.5134.9171.9-167.4174.23.500109.4Q22 A32 Q33Q22-Q24 WeakPolarHBondContact CG-O 3.33Å; Q22-Q24 PolarHBondContact NE2-O 3.31Å; Q24-A32 WeakPolarHBondContact O-CA 3.48Å; Q24-Q33 HydrophobicContact CB-CB 3.85Å; Q24-Q33 HydrophobicContact CB-CG 4.09Å; Q24-Q33 PolarHBondContact N-O 3.02Å; Q24-Q33 PolarHBondContact O-N 2.95Å; Q24-Q33 VanDerWaalsContact O-N 3.16Å
25E91.8Very high95.8Very high100 Ų10070.3 Ų70.347%0.46735%0.346SS..  trans-68.5145.3172.1-65.2-174.6177.800110.9Q22Q22-E25 VanDerWaalsContact NE2-CA 3.33Å
26A91.9Very high95.8Very high58 Ų5873.8 Ų73.848%0.47936%0.362SS..  trans-68.8146.9170.600000109.2L30 A32A26-L30 CarbonylContact C-O 3.56Å; A26-L30 WeakPolarHBondContact CA-O 3.27Å; A26-L30 WeakPolarHBondContact CB-O 3.32Å; A26-A32 HydrophobicContact CB-CB 4.04Å
27D91.2Very high95.8Very high90 Ų9073.7 Ų73.748%0.48136%0.361SS..  trans-128.7-172.1168.965.837.3000110.1Q29 L30D27-Q29 PolarHBondContact O-N 3.41Å; D27-Q29 VanDerWaalsContact O-N 3.08Å; D27-Q29 WeakPolarHBondContact OD1-CA 3.41Å; D27-Q29 PolarHBondContact OD1-N 3.23Å; D27-L30 PolarHBondContact N-O 2.86Å; D27-L30 PolarHBondContact OD1-N 2.94Å
28E89.6Confident95.8Very high198 Ų19875.9 Ų75.993%0.92537%0.374SS*.SBendtrans-60.8-17.8-178.3-64.6-178.2176.700113.7
29Q90.8Very high95.7Very high177 Ų17776.6 Ų76.683%0.82737%0.374SS*.SBendtrans-120.3-22.2-171.9-60.9179.8-7.900113.1D27D27-Q29 PolarHBondContact O-N 3.41Å; D27-Q29 VanDerWaalsContact O-N 3.08Å; D27-Q29 WeakPolarHBondContact OD1-CA 3.41Å; D27-Q29 PolarHBondContact OD1-N 3.23Å
30L91.8Very high95.7Very high81 Ų8176.6 Ų76.642%0.42437%0.374SS..  trans-126132-173.4-64.7173.2000111.8A26 D27A26-L30 CarbonylContact C-O 3.56Å; A26-L30 WeakPolarHBondContact CA-O 3.27Å; A26-L30 WeakPolarHBondContact CB-O 3.32Å; D27-L30 PolarHBondContact N-O 2.86Å; D27-L30 PolarHBondContact OD1-N 2.94Å
31E94.5Very high95.7Very high167 Ų16772.6 Ų72.678%0.7836%0.359SS*.PPolyproline II helixtrans-67151.4166.8-70.2-64.5151.800111.1Q33E31-Q33 PolarHBondContact O-N 3.42Å
32A96.1Very high95.7Very high20 Ų2072.6 Ų72.617%0.16536%0.359CS..PPolyproline II helixtrans-59135.117600000110.9Q22 Q24 A26 Y34Q22-A32 HydrophobicContact CG-CB 4.21Å; Q24-A32 WeakPolarHBondContact O-CA 3.48Å; A26-A32 HydrophobicContact CB-CB 4.04Å; A32-Y34 HydrophobicContact CB-CE2 3.69Å; A32-Y34 VanDerWaalsContact O-CD2 3.26Å; A32-Y34 WeakPolarHBondContact O-CD2 3.49Å; A32-Y34 WeakPolarHBondContact O-CE2 3.48Å
33Q97.7Very high95.7Very high98 Ų9871.5 Ų71.546%0.45835%0.354SS..EExtended strand (participates in β ladder)trans-96.6145.5178.3-58.9-170.65.800111.6Q22 V23 Q24 E31Q22-Q33 CarbonylContact C-O 3.54Å; Q22-Q33 WeakPolarHBondContact CA-O 3.41Å; Q22-Q33 WeakPolarHBondContact CG-O 3.46Å; V23-Q33 HydrophobicContact CG2-CB 4.07Å; V23-Q33 PolarHBondContact N-O 3.34Å; Q24-Q33 HydrophobicContact CB-CB 3.85Å; Q24-Q33 HydrophobicContact CB-CG 4.09Å; Q24-Q33 PolarHBondContact N-O 3.02Å; Q24-Q33 PolarHBondContact O-N 2.95Å; Q24-Q33 VanDerWaalsContact O-N 3.16Å; E31-Q33 PolarHBondContact O-N 3.42Å
34Y98.4Very high95.8Very high92 Ų9271.6 Ų71.636%0.36135%0.352SS..EExtended strand (participates in β ladder)trans-132.9145.3-176.2-61.4-98.1000111.4R20 L21 Q22 A32R20-Y34 HydrophobicContact CG-CD1 3.87Å; R20-Y34 HydrophobicContact CG-CG 4.26Å; R20-Y34 VanDerWaalsContact NE-CD1 3.3Å; R20-Y34 VanDerWaalsContact NE-CG 3.27Å; R20-Y34 VanDerWaalsContact NH2-CE2 3.35Å; L21-Y34 CarbonylContact O-C 3.57Å; L21-Y34 VanDerWaalsContact O-CA 3.24Å; L21-Y34 WeakPolarHBondContact O-CA 3.46Å; Q22-Y34 HydrophobicContact CB-CD1 3.81Å; Q22-Y34 HydrophobicContact CB-CE1 3.6Å; Q22-Y34 HydrophobicContact CG-CD1 4.3Å; Q22-Y34 HydrophobicContact CG-CE1 3.94Å; A32-Y34 HydrophobicContact CB-CE2 3.69Å; A32-Y34 VanDerWaalsContact O-CD2 3.26Å; A32-Y34 WeakPolarHBondContact O-CD2 3.49Å; A32-Y34 WeakPolarHBondContact O-CE2 3.48Å
35V98.6Very high95.9Very high29 Ų2968.6 Ų68.618%0.17634%0.338CS..EExtended strand (participates in β ladder)trans-108157164.4-62.40000109.9R20 L21 V23 L87 R145R20-V35 WeakPolarHBondContact CA-O 3.42Å; L21-V35 HydrophobicContact CB-CG2 4.13Å; L21-V35 PolarHBondContact N-O 2.98Å; L21-V35 PolarHBondContact O-N 3.46Å; V23-V35 HydrophobicContact CG1-CB 4.24Å; V23-V35 HydrophobicContact CG1-CG1 3.75Å; V23-V35 HydrophobicContact CG1-CG2 3.6Å; V23-V35 HydrophobicContact CG2-CG1 4.02Å; V35-L87 HydrophobicContact CG2-CD1 4.28Å; V35-R145 HydrophobicContact CB-CB 4.13Å; V35-R145 HydrophobicContact CB-CG 4.16Å; V35-R145 HydrophobicContact CG2-CB 3.87Å; V35-R145 HydrophobicContact CG2-CG 4.44Å
36Q98.4Very high96.2Very high94 Ų9464 Ų6444%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-140.1144.2-175.1-74.7-177.9-0.200110.5A19 R20A19-Q36 VanDerWaalsContact O-CA 3.29Å; A19-Q36 WeakPolarHBondContact O-CA 3.34Å; R20-Q36 HydrophobicContact CB-CG 3.89Å; R20-Q36 HydrophobicContact CG-CG 3.79Å
37I98.4Very high96.6Very high3 Ų361.6 Ų61.62%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-124.2148166.261.8157.7000109.8H18 A19 L87 R145H18-I37 WeakPolarHBondContact CA-O 3.38Å; H18-I37 PolarHBondContact ND1-O 3.43Å; A19-I37 HydrophobicContact CB-CD1 4.28Å; A19-I37 HydrophobicContact CB-CG1 3.79Å; A19-I37 PolarHBondContact N-O 3.3Å; A19-I37 PolarHBondContact O-N 3.31Å; I37-L87 HydrophobicContact CD1-CB 3.51Å; I37-L87 HydrophobicContact CG1-CB 3.9Å; I37-L87 HydrophobicContact CG2-CB 4.35Å; I37-R145 HydrophobicContact CG2-CB 3.79Å; I37-R145 HydrophobicContact CG2-CG 3.57Å
38N96.3Very high96.9Very high120 Ų12058.4 Ų58.464%0.64228%0.277SS*.  trans-81-148.7167.6-65.8-43000109.4L17 G40L17-N38 CarbonylContact O-C 3.59Å; N38-G40 PolarHBondContact O-N 3.05Å
39R96.8Very high97.3Very high79 Ų7955.3 Ų55.330%0.29826%0.26SS..SBendtrans-60.1134.6-176-170.2158170.4-81.1-16.7111.4C16 L17 E70 L82 G84 S85C16-R39 WeakPolarHBondContact O-CA 3.41Å; L17-R39 WeakPolarHBondContact O-CA 3.29Å; L17-R39 PolarHBondContact O-N 3.28Å; R39-E70 PolarHBondContact NH2-O 3.11Å; R39-L82 HydrophobicContact CG-CD2 4.28Å; R39-L82 VanDerWaalsContact NH1-CD2 3.25Å; R39-G84 WeakPolarHBondContact O-CA 3.37Å; R39-S85 PolarHBondContact O-N 2.87Å
40G97.8Very high97.5Very high1 Ų149.6 Ų49.61%0.0125%0.249CC..EExtended strand (participates in β ladder)trans167.6-147-17100000114.4Q15 C16 N38 S85Q15-G40 WeakPolarHBondContact CA-O 3.37Å; C16-G40 PolarHBondContact N-O 3.31Å; C16-G40 PolarHBondContact O-N 3.05Å; C16-G40 VanDerWaalsContact O-N 3.07Å; N38-G40 PolarHBondContact O-N 3.05Å; G40-S85 CarbonylContact C-O 3.57Å; G40-S85 WeakPolarHBondContact CA-O 3.39Å
41M98.5Very high97.8Very high2 Ų246.3 Ų46.31%0.0123%0.234CC..EExtended strand (participates in β ladder)trans-133.8134.5-175.9-175.5169.764.400111.6L13 Q14 I43 L64 L68 V79 S85 L86 L87L13-M41 HydrophobicContact CB-SD 4.26Å; L13-M41 HydrophobicContact CD2-CE 4.42Å; L13-M41 HydrophobicContact CD2-SD 4.1Å; Q14-M41 CarbonylContact O-C 3.54Å; Q14-M41 WeakPolarHBondContact O-CA 3.24Å; M41-I43 HydrophobicContact CE-CD1 3.93Å; M41-I43 HydrophobicContact CE-CG1 4.05Å; M41-I43 HydrophobicContact CG-CG1 4.35Å; M41-L64 HydrophobicContact CE-CD2 4.09Å; M41-L68 HydrophobicContact SD-CD1 4.2Å; M41-V79 HydrophobicContact CB-CG2 4.25Å; M41-V79 HydrophobicContact CE-CB 4.39Å; M41-V79 HydrophobicContact CE-CG1 4.07Å; M41-S85 PolarHBondContact N-O 3.02Å; M41-L86 HydrophobicContact CB-CD2 4.04Å; M41-L86 HydrophobicContact CE-CD2 3.93Å; M41-L86 WeakPolarHBondContact O-CA 3.24Å; M41-L87 PolarHBondContact O-N 2.84Å
42V98.9Very high97.9Very high0 Ų041.4 Ų41.40%022%0.215CC..EExtended strand (participates in β ladder)trans-96128.7169.2-172.40000109L13 Q14 C16 A19 Y44 L87 V89 L157L13-V42 WeakPolarHBondContact CA-O 3.45Å; Q14-V42 PolarHBondContact N-O 3.03Å; Q14-V42 PolarHBondContact O-N 3.33Å; C16-V42 HydrophobicContact CB-CG2 4.3Å; A19-V42 HydrophobicContact CB-CG2 4.1Å; V42-Y44 HydrophobicContact CB-CE2 4.3Å; V42-Y44 HydrophobicContact CG1-CD2 4.24Å; V42-Y44 HydrophobicContact CG1-CE1 4.34Å; V42-Y44 HydrophobicContact CG1-CE2 3.68Å; V42-L87 CarbonylContact C-O 3.52Å; V42-L87 VanDerWaalsContact CA-O 3.29Å; V42-L87 WeakPolarHBondContact CA-O 3.48Å; V42-L87 HydrophobicContact CG1-CB 4.43Å; V42-L87 HydrophobicContact CG1-CD2 4.35Å; V42-L87 HydrophobicContact CG1-CG 4.45Å; V42-L87 HydrophobicContact CG2-CB 4.22Å; V42-L87 HydrophobicContact CG2-CD2 4.32Å; V42-V89 HydrophobicContact CG1-CG2 3.93Å; V42-L157 HydrophobicContact CG2-CD1 3.58Å
43I98.9Very high97.9Very high0 Ų045.3 Ų45.30%023%0.233CC..EExtended strand (participates in β ladder)trans-115.2110.2177.6-50.9-179.6000108.3T11 L13 M41 L63 L64 L86 L87 I88 V89 F121T11-I43 HydrophobicContact CG2-CG2 4.37Å; L13-I43 HydrophobicContact CD2-CB 4.11Å; L13-I43 HydrophobicContact CD2-CD1 4.38Å; L13-I43 HydrophobicContact CD2-CG1 3.73Å; L13-I43 HydrophobicContact CD2-CG2 3.82Å; M41-I43 HydrophobicContact CE-CD1 3.93Å; M41-I43 HydrophobicContact CE-CG1 4.05Å; M41-I43 HydrophobicContact CG-CG1 4.35Å; I43-L63 HydrophobicContact CG2-CD1 4.4Å; I43-L64 HydrophobicContact CD1-CD2 4.33Å; I43-L86 HydrophobicContact CD1-CD2 4.25Å; I43-L87 PolarHBondContact N-O 3.44Å; I43-I88 CarbonylContact O-C 3.51Å; I43-I88 WeakPolarHBondContact O-CA 3.27Å; I43-V89 PolarHBondContact O-N 3.25Å; I43-F121 HydrophobicContact CD1-CZ 4.31Å; I43-F121 HydrophobicContact CG2-CE1 4.3Å; I43-F121 HydrophobicContact CG2-CZ 4.21Å
44Y98.9Very high97.9Very high28 Ų2846.8 Ų46.811%0.1124%0.244CC..EExtended strand (participates in β ladder)trans-89.5130.7167.3-53.7-94.7000108.5T11 V12 Q14 V42 V89 Q91 L155T11-Y44 CarbonylContact C-O 3.56Å; T11-Y44 WeakPolarHBondContact CA-O 3.46Å; V12-Y44 HydrophobicContact CB-CD2 4.11Å; V12-Y44 HydrophobicContact CG1-CD2 4.15Å; V12-Y44 PolarHBondContact N-O 2.77Å; V12-Y44 WeakPolarHBondContact O-CD2 3.4Å; V12-Y44 PolarHBondContact O-N 2.9Å; Q14-Y44 HydrophobicContact CG-CE2 4.31Å; Q14-Y44 VanDerWaalsContact OE1-CE2 3.28Å; Q14-Y44 PolarHBondContact OE1-OH 3.06Å; V42-Y44 HydrophobicContact CB-CE2 4.3Å; V42-Y44 HydrophobicContact CG1-CD2 4.24Å; V42-Y44 HydrophobicContact CG1-CE1 4.34Å; V42-Y44 HydrophobicContact CG1-CE2 3.68Å; Y44-V89 WeakPolarHBondContact CA-O 3.46Å; Y44-V89 HydrophobicContact CD1-CB 3.71Å; Y44-V89 HydrophobicContact CD1-CG1 3.85Å; Y44-V89 HydrophobicContact CD1-CG2 4.26Å; Y44-V89 HydrophobicContact CE1-CB 4.11Å; Y44-V89 HydrophobicContact CE1-CG1 4.14Å; Y44-V89 HydrophobicContact CE1-CG2 4.19Å; Y44-V89 HydrophobicContact CG-CB 4.43Å; Y44-Q91 HydrophobicContact CD1-CB 4.25Å; Y44-Q91 HydrophobicContact CD1-CG 4.27Å; Y44-L155 HydrophobicContact CE1-CD2 3.82Å; Y44-L155 WeakPolarHBondContact OH-CD2 3.24Å
45I98.8Very high97.7Very high4 Ų443.7 Ų43.72%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-130.4138.7-174-171.4162.3000112.7V9 T11 F47 M59 I88 V89 Q91 Y118 F121V9-I45 HydrophobicContact CG1-CD1 3.95Å; V9-I45 HydrophobicContact CG1-CG1 3.8Å; T11-I45 HydrophobicContact CG2-CB 4.29Å; T11-I45 HydrophobicContact CG2-CD1 4.2Å; T11-I45 HydrophobicContact CG2-CG1 4Å; I45-F47 HydrophobicContact CD1-CE1 3.88Å; I45-F47 HydrophobicContact CD1-CE2 3.93Å; I45-F47 HydrophobicContact CD1-CZ 3.37Å; I45-F47 HydrophobicContact CG1-CE1 4.35Å; I45-F47 HydrophobicContact CG1-CE2 3.97Å; I45-F47 HydrophobicContact CG1-CZ 3.88Å; I45-F47 HydrophobicContact CG2-CE2 4.45Å; I45-M59 HydrophobicContact CD1-CE 3.64Å; I45-M59 HydrophobicContact CD1-SD 4.26Å; I45-I88 HydrophobicContact CG2-CG2 4.34Å; I45-V89 PolarHBondContact N-O 3.03Å; I45-Q91 CarbonylContact O-C 3.58Å; I45-Q91 PolarHBondContact O-N 3.17Å; I45-Y118 HydrophobicContact CG2-CD2 3.84Å; I45-Y118 HydrophobicContact CG2-CE2 3.91Å; I45-F121 HydrophobicContact CD1-CD1 3.8Å; I45-F121 HydrophobicContact CD1-CD2 4.09Å; I45-F121 HydrophobicContact CD1-CE1 3.85Å; I45-F121 HydrophobicContact CD1-CE2 4.12Å; I45-F121 HydrophobicContact CD1-CG 3.92Å; I45-F121 HydrophobicContact CD1-CZ 4Å
46C98.6Very high97.7Very high3 Ų342.4 Ų42.42%0.0223%0.226CC..EExtended strand (participates in β ladder)trans-133.6129.4173-177.60000110.1V9 R10 Q91 A92 L94V9-C46 WeakPolarHBondContact CA-O 3.48Å; V9-C46 WeakPolarHBondContact CG1-O 3.49Å; R10-C46 PolarHBondContact N-O 2.87Å; R10-C46 PolarHBondContact O-N 3.23Å; C46-Q91 WeakPolarHBondContact CB-O 3.46Å; C46-A92 PolarHBondContact SG-O 3.45Å; C46-L94 HydrophobicContact CB-CB 3.79Å; C46-L94 HydrophobicContact CB-CD1 4.33Å
47F98.6Very high97.7Very high8 Ų841.5 Ų41.54%0.03523%0.228CC..EExtended strand (participates in β ladder)trans-99.5144.2174-60.3-81.4000110.6V9 I45 A51 L56 M59 I109 L117 F121V9-F47 HydrophobicContact CB-CD1 4.29Å; V9-F47 HydrophobicContact CG1-CD1 3.75Å; V9-F47 HydrophobicContact CG1-CE1 3.82Å; V9-F47 HydrophobicContact CG1-CG 4.48Å; V9-F47 HydrophobicContact CG2-CD1 3.58Å; V9-F47 HydrophobicContact CG2-CE1 3.94Å; I45-F47 HydrophobicContact CD1-CE1 3.88Å; I45-F47 HydrophobicContact CD1-CE2 3.93Å; I45-F47 HydrophobicContact CD1-CZ 3.37Å; I45-F47 HydrophobicContact CG1-CE1 4.35Å; I45-F47 HydrophobicContact CG1-CE2 3.97Å; I45-F47 HydrophobicContact CG1-CZ 3.88Å; I45-F47 HydrophobicContact CG2-CE2 4.45Å; F47-A51 HydrophobicContact CB-CB 4.47Å; F47-A51 HydrophobicContact CD1-CB 4.4Å; F47-L56 HydrophobicContact CE1-CD2 3.83Å; F47-L56 HydrophobicContact CZ-CD2 4.27Å; F47-M59 HydrophobicContact CE1-CE 4.16Å; F47-I109 HydrophobicContact CB-CB 4.17Å; F47-I109 HydrophobicContact CB-CD1 4.32Å; F47-I109 HydrophobicContact CB-CG2 3.62Å; F47-I109 WeakPolarHBondContact O-CG2 3.26Å; F47-I109 PolarHBondContact O-N 2.79Å; F47-I109 VanDerWaalsContact O-N 3.13Å; F47-L117 HydrophobicContact CB-CD1 4.24Å; F47-L117 HydrophobicContact CD1-CB 4.01Å; F47-L117 HydrophobicContact CD1-CD1 3.71Å; F47-L117 HydrophobicContact CD2-CB 4.16Å; F47-L117 HydrophobicContact CE1-CB 3.84Å; F47-L117 HydrophobicContact CE1-CD1 4.25Å; F47-L117 HydrophobicContact CE2-CB 3.97Å; F47-L117 HydrophobicContact CG-CB 4.19Å; F47-L117 HydrophobicContact CG-CD1 3.99Å; F47-L117 HydrophobicContact CZ-CB 3.81Å; F47-F121 HydrophobicContact CZ-CB 4.3Å
48F98.3Very high97.6Very high22 Ų2248.4 Ų48.410%0.09626%0.258CS..BIsolated β-bridgetrans-107.7165.8176.4-60.4-65.3000111.7G7 L8 R10 G50 A51 N107G7-F48 WeakPolarHBondContact O-CD2 3.21Å; L8-F48 WeakPolarHBondContact O-CB 3.31Å; L8-F48 WeakPolarHBondContact O-CD2 3.35Å; L8-F48 PolarHBondContact O-N 2.82Å; R10-F48 HydrophobicContact CB-CE2 3.7Å; R10-F48 HydrophobicContact CB-CZ 3.97Å; F48-G50 PolarHBondContact O-N 3.08Å; F48-A51 VanDerWaalsContact O-CB 3.32Å; F48-A51 WeakPolarHBondContact O-CB 3.31Å; F48-A51 PolarHBondContact O-N 3.49Å; F48-A51 VanDerWaalsContact O-N 3.13Å; F48-N107 CarbonylContact C-O 3.54Å; F48-N107 VanDerWaalsContact CA-O 3.27Å; F48-N107 WeakPolarHBondContact CA-O 3.33Å; F48-N107 WeakPolarHBondContact CB-O 3.38Å; F48-N107 HydrophobicContact CD1-CB 4.15Å; F48-N107 WeakPolarHBondContact CD1-O 3.45Å
49K97.4Very high97.7Very high133 Ų13342.7 Ų42.758%0.57823%0.228SC*.THydrogen-bonded Turntrans-54.2132.3174.5-70.3177174.4171.90110.6H106 N107 N108K49-H106 WeakPolarHBondContact CE-O 3.32Å; K49-H106 PolarHBondContact NZ-O 3.13Å; K49-N107 PolarHBondContact N-O 2.79Å; K49-N108 WeakPolarHBondContact CG-O 3.38Å
50G95.9Very high97.8Very high58 Ų5839.1 Ų39.160%0.59822%0.215SC*.THydrogen-bonded Turntrans89.3-6-179.600000114.6F48 T52F48-G50 PolarHBondContact O-N 3.08Å; G50-T52 PolarHBondContact O-N 3.21Å
51A97.2Very high97.8Very high11 Ų1141.7 Ų41.79%0.09123%0.232CC..  trans-62.1132.9169.100000110.5L8 V9 F47 F48 I109 L117L8-A51 HydrophobicContact CB-CB 4.03Å; V9-A51 HydrophobicContact CG2-CB 4.32Å; F47-A51 HydrophobicContact CB-CB 4.47Å; F47-A51 HydrophobicContact CD1-CB 4.4Å; F48-A51 VanDerWaalsContact O-CB 3.32Å; F48-A51 WeakPolarHBondContact O-CB 3.31Å; F48-A51 PolarHBondContact O-N 3.49Å; F48-A51 VanDerWaalsContact O-N 3.13Å; A51-I109 HydrophobicContact CB-CD1 4.45Å; A51-L117 HydrophobicContact CB-CD1 3.75Å
52T96.9Very high97.8Very high64 Ų6443.8 Ų43.839%0.39325%0.245SC..  trans-121170173.163.20000109.6G50 D54 I55G50-T52 PolarHBondContact O-N 3.21Å; T52-D54 PolarHBondContact O-N 3.39Å; T52-D54 PolarHBondContact OG1-OD2 3.04Å; T52-I55 WeakPolarHBondContact O-CG2 3.34Å; T52-I55 PolarHBondContact O-N 2.85Å
53D95.9Very high97.8Very high102 Ų10243.8 Ų43.855%0.54525%0.245SC..G310 helixtrans-63.4-22.1176.353.9-24.1000113.2I55 L56 P57 L117D53-I55 PolarHBondContact O-N 3.44Å; D53-I55 VanDerWaalsContact O-N 3.09Å; D53-L56 HydrophobicContact CB-CD1 4.22Å; D53-L56 WeakPolarHBondContact O-CB 3.42Å; D53-L56 WeakPolarHBondContact O-CG 3.21Å; D53-L56 PolarHBondContact O-N 3.41Å; D53-P57 WeakPolarHBondContact O-CD 3.34Å; D53-L117 HydrophobicContact CB-CD2 4.24Å
54D97.3Very high97.8Very high129 Ų12943.8 Ų43.869%0.6925%0.245SC*.G310 helixtrans-54.5-29.5177.3-59.2-50.4000113.7T52T52-D54 PolarHBondContact O-N 3.39Å; T52-D54 PolarHBondContact OG1-OD2 3.04Å
55I95.9Very high97.8Very high28 Ų2846.4 Ų46.414%0.14426%0.261CS..G310 helixtrans-78.8-22.9-178.9-155.5170.1000112.9L8 V9 T52 D53 K58 M59 F169L8-I55 HydrophobicContact CB-CD1 4.4Å; V9-I55 HydrophobicContact CG2-CD1 4.19Å; V9-I55 HydrophobicContact CG2-CG2 3.82Å; T52-I55 WeakPolarHBondContact O-CG2 3.34Å; T52-I55 PolarHBondContact O-N 2.85Å; D53-I55 PolarHBondContact O-N 3.44Å; D53-I55 VanDerWaalsContact O-N 3.09Å; I55-K58 PolarHBondContact O-N 3.19Å; I55-M59 WeakPolarHBondContact O-CB 3.47Å; I55-M59 PolarHBondContact O-N 3.4Å; I55-M59 VanDerWaalsContact O-N 3.08Å; I55-F169 HydrophobicContact CD1-CB 3.68Å; I55-F169 WeakPolarHBondContact CD1-O 3.4Å; I55-F169 HydrophobicContact CG1-CB 4.31Å
56L98.2Very high97.7Very high1 Ų148.7 Ų48.71%0.00527%0.273CS..Hα-helixtrans-64.7-44-167.8-56.9178.9000113.3F47 D53 K58 M59 V60 L117 F121 L124F47-L56 HydrophobicContact CE1-CD2 3.83Å; F47-L56 HydrophobicContact CZ-CD2 4.27Å; D53-L56 HydrophobicContact CB-CD1 4.22Å; D53-L56 WeakPolarHBondContact O-CB 3.42Å; D53-L56 WeakPolarHBondContact O-CG 3.21Å; D53-L56 PolarHBondContact O-N 3.41Å; L56-K58 PolarHBondContact O-N 2.84Å; L56-M59 HydrophobicContact CD2-CE 3.48Å; L56-M59 VanDerWaalsContact CD2-CE 3.48Å; L56-M59 PolarHBondContact O-N 3.28Å; L56-V60 WeakPolarHBondContact O-CG2 3.1Å; L56-V60 PolarHBondContact O-N 3.14Å; L56-L117 HydrophobicContact CD1-CD2 4.29Å; L56-F121 HydrophobicContact CD2-CB 4.21Å; L56-F121 HydrophobicContact CD2-CD2 4.34Å; L56-L124 HydrophobicContact CB-CD1 3.48Å; L56-L124 VanDerWaalsContact CB-CD1 3.48Å; L56-L124 HydrophobicContact CD1-CD1 4.25Å
57P98.1Very high97.7Very high75 Ų7555.4 Ų55.449%0.48730%0.298SS..Hα-helixtrans-59.4-45.6-179.1-25.635.6000112.8D53 S61D53-P57 WeakPolarHBondContact O-CD 3.34Å; P57-S61 WeakPolarHBondContact O-CB 2.99Å; P57-S61 PolarHBondContact O-N 2.96Å
58K97.1Very high97.5Very high149 Ų14955.5 Ų55.565%0.64830%0.299SS*.Hα-helixtrans-64.3-42.6177.7-178.6-178.1176.3-173.50111.2I55 L56 T62I55-K58 PolarHBondContact O-N 3.19Å; L56-K58 PolarHBondContact O-N 2.84Å; K58-T62 WeakPolarHBondContact O-CB 3.34Å; K58-T62 PolarHBondContact O-N 3.15Å; K58-T62 PolarHBondContact O-OG1 3.43Å
59M97.8Very high97.4Very high0 Ų054.6 Ų54.60%030%0.295CS..Hα-helixtrans-63-51.3179179.7169.969.400111.3V9 T11 I45 F47 I55 L56 S61 T62 L63 F121 F169V9-M59 HydrophobicContact CB-SD 3.88Å; V9-M59 HydrophobicContact CG1-CE 4.06Å; V9-M59 HydrophobicContact CG1-SD 3.55Å; V9-M59 VanDerWaalsContact CG1-SD 3.55Å; V9-M59 HydrophobicContact CG2-SD 4.29Å; T11-M59 HydrophobicContact CG2-SD 4.33Å; I45-M59 HydrophobicContact CD1-CE 3.64Å; I45-M59 HydrophobicContact CD1-SD 4.26Å; F47-M59 HydrophobicContact CE1-CE 4.16Å; I55-M59 WeakPolarHBondContact O-CB 3.47Å; I55-M59 PolarHBondContact O-N 3.4Å; I55-M59 VanDerWaalsContact O-N 3.08Å; L56-M59 HydrophobicContact CD2-CE 3.48Å; L56-M59 VanDerWaalsContact CD2-CE 3.48Å; L56-M59 PolarHBondContact O-N 3.28Å; M59-S61 PolarHBondContact O-N 2.89Å; M59-T62 PolarHBondContact O-N 3.45Å; M59-L63 HydrophobicContact CG-CD1 3.61Å; M59-L63 HydrophobicContact CG-CG 4.1Å; M59-L63 WeakPolarHBondContact O-CB 3.44Å; M59-L63 WeakPolarHBondContact O-CG 3.42Å; M59-L63 PolarHBondContact O-N 3.15Å; M59-L63 HydrophobicContact SD-CD1 4.45Å; M59-F121 HydrophobicContact CE-CD2 3.36Å; M59-F121 HydrophobicContact CE-CE2 3.5Å; M59-F121 HydrophobicContact CE-CG 4.26Å; M59-F121 HydrophobicContact CE-CZ 4.49Å; M59-F121 HydrophobicContact CG-CE2 4.3Å; M59-F121 HydrophobicContact SD-CE2 4.46Å; M59-F169 HydrophobicContact CB-CD1 4.05Å; M59-F169 HydrophobicContact CB-CE1 4.15Å; M59-F169 HydrophobicContact CB-CG 4.31Å; M59-F169 HydrophobicContact CB-CZ 4.49Å; M59-F169 HydrophobicContact CG-CD1 4.1Å; M59-F169 HydrophobicContact CG-CD2 3.89Å; M59-F169 HydrophobicContact CG-CE1 4.01Å; M59-F169 HydrophobicContact CG-CE2 3.8Å; M59-F169 HydrophobicContact CG-CG 4.04Å; M59-F169 HydrophobicContact CG-CZ 3.86Å; M59-F169 HydrophobicContact SD-CD2 3.81Å; M59-F169 HydrophobicContact SD-CE2 4.16Å; M59-F169 HydrophobicContact SD-CG 4.14Å
60V98.7Very high97.3Very high4 Ų451.6 Ų51.62%0.02428%0.283CS..Hα-helixtrans-57.8-49.9178.6171.50000111L56 T62 L63 L64 F121 L124 E128L56-V60 WeakPolarHBondContact O-CG2 3.1Å; L56-V60 PolarHBondContact O-N 3.14Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 2.96Å; V60-L63 PolarHBondContact O-N 2.64Å; V60-L64 HydrophobicContact CG1-CD1 3.85Å; V60-L64 HydrophobicContact CG1-CG 4.23Å; V60-L64 WeakPolarHBondContact O-CB 3.42Å; V60-L64 WeakPolarHBondContact O-CG 3.35Å; V60-L64 PolarHBondContact O-N 2.95Å; V60-F121 HydrophobicContact CG2-CD2 3.6Å; V60-F121 HydrophobicContact CG2-CE2 3.53Å; V60-L124 HydrophobicContact CG1-CB 4.48Å; V60-L124 HydrophobicContact CG2-CB 3.84Å; V60-E128 HydrophobicContact CG1-CB 4.09Å; V60-E128 HydrophobicContact CG1-CG 4.43Å
61S98.2Very high97.1Very high54 Ų5451.2 Ų51.238%0.37827%0.267SS..Hα-helixtrans-57-45.2177.4179.20000111.8P57 M59 N65P57-S61 WeakPolarHBondContact O-CB 2.99Å; P57-S61 PolarHBondContact O-N 2.96Å; M59-S61 PolarHBondContact O-N 2.89Å; S61-N65 WeakPolarHBondContact O-CB 3.45Å; S61-N65 PolarHBondContact O-N 3.5Å; S61-N65 PolarHBondContact O-ND2 3.03Å
62T98.4Very high96.8Very high46 Ų4657.3 Ų57.328%0.28231%0.306SS..Hα-helixtrans-61.7-54177.9-57.50000111K58 M59 V60 L64 N65 L66 M167 F169K58-T62 WeakPolarHBondContact O-CB 3.34Å; K58-T62 PolarHBondContact O-N 3.15Å; K58-T62 PolarHBondContact O-OG1 3.43Å; M59-T62 PolarHBondContact O-N 3.45Å; V60-T62 VanDerWaalsContact C-N 3.31Å; V60-T62 PolarHBondContact O-N 2.96Å; T62-L64 PolarHBondContact O-N 3.46Å; T62-N65 PolarHBondContact O-N 2.99Å; T62-L66 WeakPolarHBondContact O-CG 3.2Å; T62-L66 PolarHBondContact O-N 3.41Å; T62-M167 HydrophobicContact CG2-CE 3.83Å; T62-F169 HydrophobicContact CG2-CE1 3.94Å; T62-F169 HydrophobicContact CG2-CZ 4.15Å
63L98.6Very high96.6Very high0 Ų058.9 Ų58.90%032%0.319CS..Hα-helixtrans-62-44.7-173.5-67.5177.4000112.2T11 L13 I43 M59 V60 N65 L66 F121 M167 F169T11-L63 HydrophobicContact CG2-CD1 4.05Å; L13-L63 HydrophobicContact CD1-CD2 3.68Å; L13-L63 HydrophobicContact CD2-CD2 3.93Å; L13-L63 HydrophobicContact CG-CD2 4.21Å; I43-L63 HydrophobicContact CG2-CD1 4.4Å; M59-L63 HydrophobicContact CG-CD1 3.61Å; M59-L63 HydrophobicContact CG-CG 4.1Å; M59-L63 WeakPolarHBondContact O-CB 3.44Å; M59-L63 WeakPolarHBondContact O-CG 3.42Å; M59-L63 PolarHBondContact O-N 3.15Å; M59-L63 HydrophobicContact SD-CD1 4.45Å; V60-L63 PolarHBondContact O-N 2.64Å; L63-N65 VanDerWaalsContact C-N 3.33Å; L63-N65 PolarHBondContact O-N 3.5Å; L63-L66 HydrophobicContact CD2-CD1 4.46Å; L63-L66 PolarHBondContact O-N 3.17Å; L63-F121 HydrophobicContact CD1-CE2 4.01Å; L63-F121 HydrophobicContact CD1-CZ 3.86Å; L63-M167 HydrophobicContact CD2-SD 3.85Å; L63-F169 HydrophobicContact CD2-CE2 3.86Å; L63-F169 HydrophobicContact CD2-CZ 3.66Å; L63-F169 HydrophobicContact CG-CE2 4.28Å; L63-F169 HydrophobicContact CG-CZ 3.91Å
64L98.6Very high96.4Very high0 Ų055.9 Ų55.90%031%0.312CS..Hα-helixtrans-75.7-22.5-176.1-58.5-169.1000113M41 I43 V60 T62 S78 V79 L80 L86 E128M41-L64 HydrophobicContact CE-CD2 4.09Å; I43-L64 HydrophobicContact CD1-CD2 4.33Å; V60-L64 HydrophobicContact CG1-CD1 3.85Å; V60-L64 HydrophobicContact CG1-CG 4.23Å; V60-L64 WeakPolarHBondContact O-CB 3.42Å; V60-L64 WeakPolarHBondContact O-CG 3.35Å; V60-L64 PolarHBondContact O-N 2.95Å; T62-L64 PolarHBondContact O-N 3.46Å; L64-S78 VanDerWaalsContact O-CB 3.3Å; L64-S78 WeakPolarHBondContact O-CB 3.4Å; L64-V79 HydrophobicContact CB-CG1 4.17Å; L64-V79 HydrophobicContact CD2-CG1 3.88Å; L64-L80 HydrophobicContact CB-CD1 4Å; L64-L80 HydrophobicContact CB-CD2 4.01Å; L64-L80 HydrophobicContact CB-CG 3.95Å; L64-L80 HydrophobicContact CD1-CD2 4.18Å; L64-L86 HydrophobicContact CD1-CD1 4.27Å; L64-L86 HydrophobicContact CD2-CD1 3.52Å; L64-L86 HydrophobicContact CD2-CD2 3.91Å; L64-L86 HydrophobicContact CD2-CG 4.35Å; L64-E128 HydrophobicContact CD1-CB 3.88Å; L64-E128 HydrophobicContact CD1-CG 3.89Å
65N98.4Very high96.4Very high83 Ų8355.5 Ų55.544%0.44431%0.305SS..Hα-helixtrans-89.8-6.5176.3-77-74.6000114.3S61 T62 L63 R67 S78S61-N65 WeakPolarHBondContact O-CB 3.45Å; S61-N65 PolarHBondContact O-N 3.5Å; S61-N65 PolarHBondContact O-ND2 3.03Å; T62-N65 PolarHBondContact O-N 2.99Å; L63-N65 VanDerWaalsContact C-N 3.33Å; L63-N65 PolarHBondContact O-N 3.5Å; N65-R67 PolarHBondContact O-N 3.05Å; N65-S78 WeakPolarHBondContact O-CB 3.34Å
66L97.9Very high96.4Very high53 Ų5359 Ų5928%0.27732%0.316SS..SBendtrans-67.4130.7176.8-77.4164.2000111.6L13 T62 L63 L68 S78 M167L13-L66 HydrophobicContact CD1-CD1 3.78Å; T62-L66 WeakPolarHBondContact O-CG 3.2Å; T62-L66 PolarHBondContact O-N 3.41Å; L63-L66 HydrophobicContact CD2-CD1 4.46Å; L63-L66 PolarHBondContact O-N 3.17Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 HydrophobicContact CB-CD1 4.24Å; L66-L68 HydrophobicContact CB-CG 3.99Å; L66-L68 PolarHBondContact O-N 3.14Å; L66-S78 VanDerWaalsContact O-CA 3.3Å; L66-S78 WeakPolarHBondContact O-CA 3.42Å; L66-M167 HydrophobicContact CD1-CE 3.92Å; L66-M167 HydrophobicContact CD1-SD 3.26Å; L66-M167 WeakPolarHBondContact CD1-SD 3.19Å
67R97.4Very high96.4Very high144 Ų14459.3 Ų59.354%0.54332%0.318SS..  trans-81.572.7-179.1-64.7-173.6164.6159.20.4112.2N65 R76 V77 E81N65-R67 PolarHBondContact O-N 3.05Å; R67-R76 HydrophobicContact CB-CB 4.33Å; R67-R76 WeakPolarHBondContact O-CB 3.33Å; R67-V77 CarbonylContact C-O 3.56Å; R67-V77 VanDerWaalsContact CA-O 3.29Å; R67-V77 WeakPolarHBondContact CA-O 3.43Å; R67-E81 IonicContact CZ-OE1 3.28Å; R67-E81 IonicContact CZ-OE2 3.18Å; R67-E81 IonicContact NE-OE1 2.65Å; R67-E81 IonicContact NE-OE2 2.74Å; R67-E81 PolarHBondContact NE-OE2 3.41Å; R67-E81 IonicContact NH2-OE1 3.68Å; R67-E81 PolarHBondContact NH2-OE1 3.45Å; R67-E81 IonicContact NH2-OE2 3.71Å
68L95.6Very high96.4Very high10 Ų1055.8 Ų55.85%0.05230%0.295CS..  trans-104.2-19.6-178.4-59.1-178.2000113.6L13 Q15 M41 L66 V77 Y163L13-L68 HydrophobicContact CB-CD1 3.83Å; L13-L68 HydrophobicContact CD1-CD1 3.64Å; L13-L68 HydrophobicContact CG-CD1 4.4Å; Q15-L68 PolarHBondContact OE1-O 2.89Å; M41-L68 HydrophobicContact SD-CD1 4.2Å; L66-L68 VanDerWaalsContact C-N 3.3Å; L66-L68 HydrophobicContact CB-CD1 4.24Å; L66-L68 HydrophobicContact CB-CG 3.99Å; L66-L68 PolarHBondContact O-N 3.14Å; L68-V77 PolarHBondContact N-O 2.8Å; L68-Y163 HydrophobicContact CD2-CD1 4.09Å; L68-Y163 HydrophobicContact CD2-CE1 3.89Å
69C95.9Very high96.4Very high2 Ų248.8 Ų48.81%0.01426%0.264CS..EExtended strand (participates in β ladder)trans-88.9124.5-175.2-58.30000111R76 V77 L82C69-R76 WeakPolarHBondContact O-CA 3.37Å; C69-V77 PolarHBondContact N-O 2.82Å; C69-V77 PolarHBondContact O-N 2.97Å; C69-L82 HydrophobicContact CB-CB 4.38Å; C69-L82 HydrophobicContact CB-CD2 3.56Å
70E94.4Very high96.4Very high71 Ų7150 Ų5033%0.33227%0.271SS..EExtended strand (participates in β ladder)trans-94.7115.5-174.1-178.4170.7-154.200112.9R39R39-E70 PolarHBondContact NH2-O 3.11Å
71L93.3Very high96.3Very high50 Ų5054.3 Ų54.326%0.26229%0.291SS..  trans-66.4162.4173.4-65.2178.1000111.8S73 G74 K75 V77 L82L71-S73 PolarHBondContact O-N 3.47Å; L71-G74 PolarHBondContact O-N 2.96Å; L71-K75 WeakPolarHBondContact CB-O 3.5Å; L71-K75 PolarHBondContact N-O 3.19Å; L71-V77 HydrophobicContact CD1-CG1 3.73Å; L71-V77 HydrophobicContact CD1-CG2 4.27Å; L71-V77 HydrophobicContact CD2-CG2 3.99Å; L71-V77 HydrophobicContact CG-CG1 4.16Å; L71-V77 HydrophobicContact CG-CG2 3.88Å; L71-L82 HydrophobicContact CD2-CD1 3.71Å
72P90.3Very high96.2Very high138 Ų13852.7 Ų52.790%0.89628%0.278SS*.THydrogen-bonded Turntrans-54.6-22.8174.8-27.635.9000114.8G74P72-G74 VanDerWaalsContact C-N 3.27Å; P72-G74 PolarHBondContact O-N 3.42Å
73S93.3Very high95.9Very high98 Ų9851.3 Ų51.369%0.68527%0.269SS*.THydrogen-bonded Turntrans-77.9-4.7174.960.10000114.7L71 K75L71-S73 PolarHBondContact O-N 3.47Å; S73-K75 PolarHBondContact O-N 3.34Å; S73-K75 PolarHBondContact OG-N 3.16Å
74G91.3Very high95.8Very high38 Ų3851.3 Ų51.339%0.39227%0.27SS..SBendtrans81.3-6.5-171.100000114.2L71 P72 R76L71-G74 PolarHBondContact O-N 2.96Å; P72-G74 VanDerWaalsContact C-N 3.27Å; P72-G74 PolarHBondContact O-N 3.42Å; G74-R76 PolarHBondContact O-N 2.94Å
75K96.5Very high95.8Very high122 Ų12251.5 Ų51.553%0.5327%0.271SS..  trans-69131174.5-178.1-176.8175.3-171.90109.8L71 S73 V77L71-K75 WeakPolarHBondContact CB-O 3.5Å; L71-K75 PolarHBondContact N-O 3.19Å; S73-K75 PolarHBondContact O-N 3.34Å; S73-K75 PolarHBondContact OG-N 3.16Å; K75-V77 HydrophobicContact CD-CG1 4.38Å; K75-V77 HydrophobicContact CG-CG1 4.38Å
76R96.4Very high95.8Very high102 Ų10247.6 Ų47.639%0.38525%0.25SS..EExtended strand (participates in β ladder)trans-87135171.7-62.5-173.7-177.2130.80.8112R67 C69 G74 Y163R67-R76 HydrophobicContact CB-CB 4.33Å; R67-R76 WeakPolarHBondContact O-CB 3.33Å; C69-R76 WeakPolarHBondContact O-CA 3.37Å; G74-R76 PolarHBondContact O-N 2.94Å; R76-Y163 VanDerWaalsContact NH1-CZ 3.33Å; R76-Y163 PolarHBondContact NH1-OH 3.14Å; R76-Y163 VanDerWaalsContact NH2-CE2 3.34Å
77V97.8Very high95.9Very high7 Ų745.1 Ų45.14%0.04224%0.237CC..EExtended strand (participates in β ladder)trans-134.6164.9178.9-62.40000109.6R67 L68 C69 L71 K75 E81 L82R67-V77 CarbonylContact C-O 3.56Å; R67-V77 VanDerWaalsContact CA-O 3.29Å; R67-V77 WeakPolarHBondContact CA-O 3.43Å; L68-V77 PolarHBondContact N-O 2.8Å; C69-V77 PolarHBondContact N-O 2.82Å; C69-V77 PolarHBondContact O-N 2.97Å; L71-V77 HydrophobicContact CD1-CG1 3.73Å; L71-V77 HydrophobicContact CD1-CG2 4.27Å; L71-V77 HydrophobicContact CD2-CG2 3.99Å; L71-V77 HydrophobicContact CG-CG1 4.16Å; L71-V77 HydrophobicContact CG-CG2 3.88Å; K75-V77 HydrophobicContact CD-CG1 4.38Å; K75-V77 HydrophobicContact CG-CG1 4.38Å; V77-E81 WeakPolarHBondContact CA-OE2 3.44Å; V77-E81 HydrophobicContact CB-CB 3.82Å; V77-E81 HydrophobicContact CG2-CB 4.35Å; V77-L82 HydrophobicContact CG2-CB 4.02Å
78S98.2Very high95.9Very high1 Ų138.2 Ų38.21%0.00721%0.211CC..  trans-71.3165.7174.782.60000111.7L64 N65 L66 L80 E81 L82L64-S78 VanDerWaalsContact O-CB 3.3Å; L64-S78 WeakPolarHBondContact O-CB 3.4Å; N65-S78 WeakPolarHBondContact O-CB 3.34Å; L66-S78 VanDerWaalsContact O-CA 3.3Å; L66-S78 WeakPolarHBondContact O-CA 3.42Å; S78-L80 PolarHBondContact O-N 3.15Å; S78-L80 PolarHBondContact OG-N 3.37Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 PolarHBondContact O-N 3.08Å; S78-E81 WeakPolarHBondContact OG-CG 3.46Å; S78-E81 PolarHBondContact OG-N 3.29Å; S78-L82 VanDerWaalsContact O-CB 3.28Å; S78-L82 WeakPolarHBondContact O-CB 3.21Å; S78-L82 PolarHBondContact O-N 3.41Å
79V97.9Very high96.1Very high1 Ų137.8 Ų37.81%0.00621%0.209CC..THydrogen-bonded Turntrans-65.2-29.3174.871.60000111.3M41 L64 L82 G84 L86M41-V79 HydrophobicContact CB-CG2 4.25Å; M41-V79 HydrophobicContact CE-CB 4.39Å; M41-V79 HydrophobicContact CE-CG1 4.07Å; L64-V79 HydrophobicContact CB-CG1 4.17Å; L64-V79 HydrophobicContact CD2-CG1 3.88Å; V79-L82 PolarHBondContact O-N 2.77Å; V79-G84 PolarHBondContact O-N 3.48Å; V79-L86 HydrophobicContact CG1-CD2 4.09Å; V79-L86 HydrophobicContact CG2-CD2 3.95Å
80L97.6Very high96.2Very high26 Ų2638.4 Ų38.414%0.13621%0.213CC..THydrogen-bonded Turntrans-70.6-46.5175.4-54.1179.6000111.7L64 S78 L82 P83 E128 L129 A132L64-L80 HydrophobicContact CB-CD1 4Å; L64-L80 HydrophobicContact CB-CD2 4.01Å; L64-L80 HydrophobicContact CB-CG 3.95Å; L64-L80 HydrophobicContact CD1-CD2 4.18Å; S78-L80 PolarHBondContact O-N 3.15Å; S78-L80 PolarHBondContact OG-N 3.37Å; L80-L82 PolarHBondContact O-N 3.4Å; L80-P83 WeakPolarHBondContact O-CD 3.31Å; L80-E128 HydrophobicContact CD1-CG 4.5Å; L80-L129 HydrophobicContact CD2-CD1 3.65Å; L80-A132 HydrophobicContact CB-CB 4.06Å; L80-A132 HydrophobicContact CD1-CB 4.34Å; L80-A132 HydrophobicContact CD2-CB 3.92Å; L80-A132 HydrophobicContact CG-CB 4.32Å
81E96.6Very high96.4Very high94 Ų9437.9 Ų37.944%0.43921%0.21SC..THydrogen-bonded Turntrans-64.5-22.9174.9-72.4174.1132.400111.4R67 V77 S78 P83R67-E81 IonicContact CZ-OE1 3.28Å; R67-E81 IonicContact CZ-OE2 3.18Å; R67-E81 IonicContact NE-OE1 2.65Å; R67-E81 IonicContact NE-OE2 2.74Å; R67-E81 PolarHBondContact NE-OE2 3.41Å; R67-E81 IonicContact NH2-OE1 3.68Å; R67-E81 PolarHBondContact NH2-OE1 3.45Å; R67-E81 IonicContact NH2-OE2 3.71Å; V77-E81 WeakPolarHBondContact CA-OE2 3.44Å; V77-E81 HydrophobicContact CB-CB 3.82Å; V77-E81 HydrophobicContact CG2-CB 4.35Å; S78-E81 PolarHBondContact N-OE2 3.06Å; S78-E81 PolarHBondContact O-N 3.08Å; S78-E81 WeakPolarHBondContact OG-CG 3.46Å; S78-E81 PolarHBondContact OG-N 3.29Å; E81-P83 VanDerWaalsContact C-CD 3.48Å; E81-P83 WeakPolarHBondContact O-CD 3.41Å
82L95.4Very high96.6Very high20 Ų2037.9 Ų37.911%0.10522%0.218CC..THydrogen-bonded Turntrans-82.8-12.2-179.4176.557.6000115.4R39 C69 L71 V77 S78 V79 L80 G84R39-L82 HydrophobicContact CG-CD2 4.28Å; R39-L82 VanDerWaalsContact NH1-CD2 3.25Å; C69-L82 HydrophobicContact CB-CB 4.38Å; C69-L82 HydrophobicContact CB-CD2 3.56Å; L71-L82 HydrophobicContact CD2-CD1 3.71Å; V77-L82 HydrophobicContact CG2-CB 4.02Å; S78-L82 VanDerWaalsContact O-CB 3.28Å; S78-L82 WeakPolarHBondContact O-CB 3.21Å; S78-L82 PolarHBondContact O-N 3.41Å; V79-L82 PolarHBondContact O-N 2.77Å; L80-L82 PolarHBondContact O-N 3.4Å; L82-G84 VanDerWaalsContact C-N 3.27Å
83P93.2Very high97Very high17 Ų1734.8 Ų34.811%0.1120%0.196CC..THydrogen-bonded Turntrans22.163-135.68.8-30.5000116.1L80 E81 R138 V142L80-P83 WeakPolarHBondContact O-CD 3.31Å; E81-P83 VanDerWaalsContact C-CD 3.48Å; E81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-R138 HydrophobicContact CB-CB 4.38Å; P83-R138 HydrophobicContact CG-CB 4.39Å; P83-V142 HydrophobicContact CB-CG1 3.68Å
84G96.3Very high97.2Very high1 Ų132 Ų321%0.0117%0.173CC..  trans-84.5152.9174.200000113R39 V79 L82R39-G84 WeakPolarHBondContact O-CA 3.37Å; V79-G84 PolarHBondContact O-N 3.48Å; L82-G84 VanDerWaalsContact C-N 3.27Å
85S98.1Very high97.5Very high4 Ų430.4 Ų30.43%0.02816%0.157CC..EExtended strand (participates in β ladder)trans-80.9161.1171.5-69.90000112.3R39 G40 M41 T143R39-S85 PolarHBondContact O-N 2.87Å; G40-S85 CarbonylContact C-O 3.57Å; G40-S85 WeakPolarHBondContact CA-O 3.39Å; M41-S85 PolarHBondContact N-O 3.02Å; S85-T143 CarbonylContact C-O 3.14Å; S85-T143 VanDerWaalsContact CA-O 3.27Å; S85-T143 WeakPolarHBondContact CA-O 3.29Å; S85-T143 VanDerWaalsContact CB-O 3.27Å; S85-T143 WeakPolarHBondContact CB-O 3.09Å; S85-T143 PolarHBondContact OG-N 2.91Å; S85-T143 VanDerWaalsContact OG-N 3.08Å; S85-T143 PolarHBondContact OG-OG1 3.15Å
86L98.8Very high97.5Very high0 Ų025.3 Ų25.30%014%0.14CC..EExtended strand (participates in β ladder)trans-116.5135.2178-65.2176.4000111.5M41 I43 L64 V79 C125 L129 T143 V144 R145M41-L86 HydrophobicContact CB-CD2 4.04Å; M41-L86 HydrophobicContact CE-CD2 3.93Å; M41-L86 WeakPolarHBondContact O-CA 3.24Å; I43-L86 HydrophobicContact CD1-CD2 4.25Å; L64-L86 HydrophobicContact CD1-CD1 4.27Å; L64-L86 HydrophobicContact CD2-CD1 3.52Å; L64-L86 HydrophobicContact CD2-CD2 3.91Å; L64-L86 HydrophobicContact CD2-CG 4.35Å; V79-L86 HydrophobicContact CG1-CD2 4.09Å; V79-L86 HydrophobicContact CG2-CD2 3.95Å; L86-C125 HydrophobicContact CD1-CB 4.08Å; L86-L129 HydrophobicContact CD1-CD2 4.02Å; L86-L129 HydrophobicContact CG-CD2 4Å; L86-T143 PolarHBondContact N-O 2.62Å; L86-V144 HydrophobicContact CB-CG1 4.24Å; L86-V144 HydrophobicContact CB-CG2 4.24Å; L86-V144 HydrophobicContact CD1-CG2 4.18Å; L86-V144 WeakPolarHBondContact O-CA 3.36Å; L86-R145 PolarHBondContact O-N 2.95Å
87L98.9Very high97.4Very high1 Ų125.7 Ų25.71%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-117.2112.7166.118066.1000109.4A19 L21 V35 I37 M41 V42 I43 V89 R145 L155A19-L87 HydrophobicContact CB-CD2 3.54Å; L21-L87 HydrophobicContact CB-CD1 4Å; L21-L87 HydrophobicContact CB-CD2 4.07Å; L21-L87 HydrophobicContact CD2-CD1 3.8Å; L21-L87 HydrophobicContact CD2-CG 4.38Å; V35-L87 HydrophobicContact CG2-CD1 4.28Å; I37-L87 HydrophobicContact CD1-CB 3.51Å; I37-L87 HydrophobicContact CG1-CB 3.9Å; I37-L87 HydrophobicContact CG2-CB 4.35Å; M41-L87 PolarHBondContact O-N 2.84Å; V42-L87 CarbonylContact C-O 3.52Å; V42-L87 VanDerWaalsContact CA-O 3.29Å; V42-L87 WeakPolarHBondContact CA-O 3.48Å; V42-L87 HydrophobicContact CG1-CB 4.43Å; V42-L87 HydrophobicContact CG1-CD2 4.35Å; V42-L87 HydrophobicContact CG1-CG 4.45Å; V42-L87 HydrophobicContact CG2-CB 4.22Å; V42-L87 HydrophobicContact CG2-CD2 4.32Å; I43-L87 PolarHBondContact N-O 3.44Å; L87-V89 HydrophobicContact CD2-CG2 4.41Å; L87-V89 HydrophobicContact CG-CG2 4.16Å; L87-R145 CarbonylContact C-O 3.49Å; L87-R145 VanDerWaalsContact CA-O 3.31Å; L87-R145 WeakPolarHBondContact CA-O 3.29Å; L87-R145 HydrophobicContact CD1-CB 3.89Å; L87-L155 HydrophobicContact CD2-CD1 3.75Å
88I98.9Very high97.4Very high0 Ų029.4 Ų29.40%018%0.175CC..EExtended strand (participates in β ladder)trans-100.9116.9-176.9-55.9173000109.6I43 I45 Y118 F121 I122 C125 V144 R145 H146 G147I43-I88 CarbonylContact O-C 3.51Å; I43-I88 WeakPolarHBondContact O-CA 3.27Å; I45-I88 HydrophobicContact CG2-CG2 4.34Å; I88-Y118 HydrophobicContact CG2-CE2 3.7Å; I88-Y118 PolarHBondContact O-OH 3.43Å; I88-F121 HydrophobicContact CD1-CD1 4.24Å; I88-F121 HydrophobicContact CD1-CE1 3.98Å; I88-F121 HydrophobicContact CG1-CE1 4.34Å; I88-F121 HydrophobicContact CG2-CD1 3.94Å; I88-F121 HydrophobicContact CG2-CE1 3.74Å; I88-I122 HydrophobicContact CD1-CB 4.46Å; I88-I122 HydrophobicContact CD1-CG1 4Å; I88-I122 HydrophobicContact CG2-CG1 4.35Å; I88-C125 HydrophobicContact CD1-CB 3.85Å; I88-V144 HydrophobicContact CD1-CG1 3.83Å; I88-V144 HydrophobicContact CG1-CG1 4.41Å; I88-R145 PolarHBondContact N-O 3Å; I88-H146 HydrophobicContact CB-CB 4.17Å; I88-H146 CarbonylContact O-C 3.55Å; I88-H146 WeakPolarHBondContact O-CA 3.27Å; I88-G147 PolarHBondContact O-N 2.79Å
89V98.9Very high97.3Very high1 Ų135.5 Ų35.51%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-110.9120.1-176.3-175.10000109.9L21 V42 I43 Y44 I45 L87 Q91 Q153L21-V89 HydrophobicContact CD2-CG2 4.09Å; V42-V89 HydrophobicContact CG1-CG2 3.93Å; I43-V89 PolarHBondContact O-N 3.25Å; Y44-V89 WeakPolarHBondContact CA-O 3.46Å; Y44-V89 HydrophobicContact CD1-CB 3.71Å; Y44-V89 HydrophobicContact CD1-CG1 3.85Å; Y44-V89 HydrophobicContact CD1-CG2 4.26Å; Y44-V89 HydrophobicContact CE1-CB 4.11Å; Y44-V89 HydrophobicContact CE1-CG1 4.14Å; Y44-V89 HydrophobicContact CE1-CG2 4.19Å; Y44-V89 HydrophobicContact CG-CB 4.43Å; I45-V89 PolarHBondContact N-O 3.03Å; L87-V89 HydrophobicContact CD2-CG2 4.41Å; L87-V89 HydrophobicContact CG-CG2 4.16Å; V89-Q91 PolarHBondContact O-N 3.28Å; V89-Q153 HydrophobicContact CG1-CB 3.86Å; V89-Q153 HydrophobicContact CG1-CG 3.77Å
90P98.8Very high97.2Very high14 Ų1439.5 Ų39.59%0.09124%0.243CC..EExtended strand (participates in β ladder)trans-70.7119.4173.328.4-23.7000108.8Y118 Y149P90-Y118 HydrophobicContact CB-CD2 4.07Å; P90-Y118 HydrophobicContact CB-CE1 4.33Å; P90-Y118 HydrophobicContact CB-CE2 3.69Å; P90-Y118 VanDerWaalsContact CD-OH 3.29Å; P90-Y118 WeakPolarHBondContact CD-OH 3.3Å; P90-Y118 HydrophobicContact CG-CE1 4.23Å; P90-Y118 HydrophobicContact CG-CE2 4.14Å; P90-Y149 HydrophobicContact CB-CD2 3.58Å; P90-Y149 HydrophobicContact CB-CE2 3.99Å; P90-Y149 HydrophobicContact CB-CG 4.49Å; P90-Y149 HydrophobicContact CG-CD2 4.24Å
91Q98.7Very high97.1Very high60 Ų6049.2 Ų49.228%0.2828%0.284SS..  trans-135.668-171.7-16869.5-41.400111.6Y44 I45 C46 V89 T93 L94Y44-Q91 HydrophobicContact CD1-CB 4.25Å; Y44-Q91 HydrophobicContact CD1-CG 4.27Å; I45-Q91 CarbonylContact O-C 3.58Å; I45-Q91 PolarHBondContact O-N 3.17Å; C46-Q91 WeakPolarHBondContact CB-O 3.46Å; V89-Q91 PolarHBondContact O-N 3.28Å; Q91-T93 VanDerWaalsContact CD-OG1 3.29Å; Q91-T93 PolarHBondContact O-N 2.84Å; Q91-T93 PolarHBondContact OE1-OG1 2.73Å; Q91-L94 HydrophobicContact CB-CD1 4.19Å; Q91-L94 HydrophobicContact CB-CG 4.24Å; Q91-L94 HydrophobicContact CG-CD1 4.24Å; Q91-L94 HydrophobicContact CG-CD2 4.35Å; Q91-L94 HydrophobicContact CG-CG 3.82Å; Q91-L94 WeakPolarHBondContact O-CG 3.43Å; Q91-L94 PolarHBondContact O-N 2.96Å; Q91-L94 VanDerWaalsContact O-N 3.12Å
92A97.3Very high97.1Very high50 Ų5046.6 Ų46.641%0.41328%0.282SS..G310 helixtrans-56.7-19.6179.400000113.6C46 L94 G95 N108C46-A92 PolarHBondContact SG-O 3.45Å; A92-L94 PolarHBondContact O-N 2.83Å; A92-G95 PolarHBondContact O-N 2.97Å; A92-N108 PolarHBondContact O-ND2 2.95Å
93T97.7Very high97.2Very high73 Ų7350.3 Ų50.345%0.44830%0.3SS..G310 helixtrans-67.8-18.4179.152.90000113.8Q91 G95 G96 Y105Q91-T93 VanDerWaalsContact CD-OG1 3.29Å; Q91-T93 PolarHBondContact O-N 2.84Å; Q91-T93 PolarHBondContact OE1-OG1 2.73Å; T93-G95 PolarHBondContact O-N 2.84Å; T93-G96 PolarHBondContact O-N 3.26Å; T93-Y105 HydrophobicContact CG2-CE1 4.46Å
94L98.1Very high97.4Very high39 Ų3952.3 Ų52.320%0.20431%0.308CS..G310 helixtrans-62.3-20.1173.8-63.3174.5000113.2R10 V12 C46 Q91 A92 G96R10-L94 WeakPolarHBondContact CD-O 3.23Å; R10-L94 HydrophobicContact CG-CB 4.18Å; R10-L94 HydrophobicContact CG-CD1 4.41Å; R10-L94 PolarHBondContact NH1-O 3.37Å; V12-L94 HydrophobicContact CB-CD1 4.49Å; V12-L94 HydrophobicContact CG2-CD1 4.06Å; V12-L94 HydrophobicContact CG2-CD2 3.67Å; C46-L94 HydrophobicContact CB-CB 3.79Å; C46-L94 HydrophobicContact CB-CD1 4.33Å; Q91-L94 HydrophobicContact CB-CD1 4.19Å; Q91-L94 HydrophobicContact CB-CG 4.24Å; Q91-L94 HydrophobicContact CG-CD1 4.24Å; Q91-L94 HydrophobicContact CG-CD2 4.35Å; Q91-L94 HydrophobicContact CG-CG 3.82Å; Q91-L94 WeakPolarHBondContact O-CG 3.43Å; Q91-L94 PolarHBondContact O-N 2.96Å; Q91-L94 VanDerWaalsContact O-N 3.12Å; A92-L94 PolarHBondContact O-N 2.83Å; L94-G96 VanDerWaalsContact C-N 3.28Å
95G96.6Very high97.4Very high5 Ų556.8 Ų56.85%0.05233%0.325CS..G310 helixtrans-83.1-1.3174.200000115.3A92 T93 N108A92-G95 PolarHBondContact O-N 2.97Å; T93-G95 PolarHBondContact O-N 2.84Å; G95-N108 WeakPolarHBondContact CA-OD1 3.15Å
96G96.6Very high97.3Very high16 Ų1662.2 Ų62.217%0.16535%0.35CS..  trans-66.3133.2-178.800000112.9T93 L94 Q104 Y105T93-G96 PolarHBondContact O-N 3.26Å; L94-G96 VanDerWaalsContact C-N 3.28Å; G96-Q104 CarbonylContact C-O 3.58Å; G96-Q104 WeakPolarHBondContact CA-O 3.26Å; G96-Y105 VanDerWaalsContact CA-CD1 3.45Å
97K95.9Very high97.1Very high109 Ų10966 Ų6647%0.47437%0.37SS..EExtended strand (participates in β ladder)trans-110.8135.2166.8-65.3-174.1178.4-1770109.5E3 M103 Q104E3-K97 IonicContact OE1-NZ 3.95Å; E3-K97 PolarHBondContact OE1-NZ 3.41Å; K97-M103 CarbonylContact O-C 3.55Å; K97-M103 WeakPolarHBondContact O-CA 3.2Å; K97-Q104 PolarHBondContact N-O 2.85Å; K97-Q104 PolarHBondContact O-N 3.3Å
98A96.6Very high97.1Very high85 Ų8567 Ų6770%0.70238%0.376SS*.EExtended strand (participates in β ladder)trans-66.9135.1176.900000110.9M103A98-M103 HydrophobicContact CB-SD 4.12Å
99K96.3Very high97Very high130 Ų13068.3 Ų68.357%0.56538%0.382SS*.EExtended strand (participates in β ladder)trans-143111.4171-175.6177.9179176.20109.8K101 G102 Q104K99-K101 PolarHBondContact O-N 3.04Å; K99-G102 PolarHBondContact N-O 3.45Å; K99-G102 PolarHBondContact O-N 2.98Å; K99-G102 VanDerWaalsContact O-N 3.09Å; K99-Q104 HydrophobicContact CB-CG 3.92Å; K99-Q104 HydrophobicContact CD-CG 3.98Å; K99-Q104 VanDerWaalsContact NZ-NE2 3.12Å
100G95.6Very high97Very high84 Ų8470.7 Ų70.787%0.86640%0.399SS*.THydrogen-bonded Turntrans59-123.5-171.500000110.3
101K96.2Very high96.9Very high230 Ų23077.7 Ų77.7100%143%0.428SS*.THydrogen-bonded Turntrans-95.77.4178-59.8-176.6-179.3-179.10113.8K99K99-K101 PolarHBondContact O-N 3.04Å
102G96.6Very high96.9Very high39 Ų3981.7 Ų81.740%0.40245%0.447SS..EExtended strand (participates in β ladder)trans-125.2177-177.100000113.5K99K99-G102 PolarHBondContact N-O 3.45Å; K99-G102 PolarHBondContact O-N 2.98Å; K99-G102 VanDerWaalsContact O-N 3.09Å
103M97.3Very high96.9Very high98 Ų9882.7 Ų82.748%0.48345%0.445SS..EExtended strand (participates in β ladder)trans-112.6143.5175.4-61.8-63.3-79.400110.1K97 A98 Y105K97-M103 CarbonylContact O-C 3.55Å; K97-M103 WeakPolarHBondContact O-CA 3.2Å; A98-M103 HydrophobicContact CB-SD 4.12Å; M103-Y105 HydrophobicContact CB-CE2 3.94Å; M103-Y105 WeakPolarHBondContact CB-OH 3.34Å
104Q96.9Very high97Very high59 Ų5979.2 Ų79.228%0.27642%0.424SS..EExtended strand (participates in β ladder)trans-120144.1174.6-62.8-164-47.100111.5G96 K97 K99 H106G96-Q104 CarbonylContact C-O 3.58Å; G96-Q104 WeakPolarHBondContact CA-O 3.26Å; K97-Q104 PolarHBondContact N-O 2.85Å; K97-Q104 PolarHBondContact O-N 3.3Å; K99-Q104 HydrophobicContact CB-CG 3.92Å; K99-Q104 HydrophobicContact CD-CG 3.98Å; K99-Q104 VanDerWaalsContact NZ-NE2 3.12Å; Q104-H106 VanDerWaalsContact CD-NE2 3.27Å; Q104-H106 PolarHBondContact NE2-NE2 2.84Å; Q104-H106 PolarHBondContact OE1-CD2 3.35Å; Q104-H106 PolarHBondContact OE1-NE2 3.5Å
105Y96.9Very high97Very high95 Ų9581.1 Ų81.137%0.37343%0.434SS..  trans-124.230.3-172.4-56.1-79.4000112.5T93 G96 M103 N107 N108T93-Y105 HydrophobicContact CG2-CE1 4.46Å; G96-Y105 VanDerWaalsContact CA-CD1 3.45Å; M103-Y105 HydrophobicContact CB-CE2 3.94Å; M103-Y105 WeakPolarHBondContact CB-OH 3.34Å; Y105-N107 PolarHBondContact O-N 3.19Å; Y105-N108 WeakPolarHBondContact O-CB 3.46Å; Y105-N108 PolarHBondContact O-N 3.25Å
106H95.2Very high97.1Very high118 Ų11887 Ų8755%0.54646%0.458SS..THydrogen-bonded Turntrans-59-21.7-172.8-66.8-54.3000114.7K49 Q104K49-H106 WeakPolarHBondContact CE-O 3.32Å; K49-H106 PolarHBondContact NZ-O 3.13Å; Q104-H106 VanDerWaalsContact CD-NE2 3.27Å; Q104-H106 PolarHBondContact NE2-NE2 2.84Å; Q104-H106 PolarHBondContact OE1-CD2 3.35Å; Q104-H106 PolarHBondContact OE1-NE2 3.5Å
107N95.9Very high97.2Very high79 Ų7986.8 Ų86.842%0.42245%0.453SS..THydrogen-bonded Turntrans-95.4-7.1-178.1-68.1-3.5000113.3F48 K49 Y105F48-N107 CarbonylContact C-O 3.54Å; F48-N107 VanDerWaalsContact CA-O 3.27Å; F48-N107 WeakPolarHBondContact CA-O 3.33Å; F48-N107 WeakPolarHBondContact CB-O 3.38Å; F48-N107 HydrophobicContact CD1-CB 4.15Å; F48-N107 WeakPolarHBondContact CD1-O 3.45Å; K49-N107 PolarHBondContact N-O 2.79Å; Y105-N107 PolarHBondContact O-N 3.19Å
108N97.6Very high97.3Very high24 Ų2481.8 Ų81.813%0.12843%0.432CS..BIsolated β-bridgetrans-65.5146.7179.2-73.320000110.8K49 A92 G95 Y105K49-N108 WeakPolarHBondContact CG-O 3.38Å; A92-N108 PolarHBondContact O-ND2 2.95Å; G95-N108 WeakPolarHBondContact CA-OD1 3.15Å; Y105-N108 WeakPolarHBondContact O-CB 3.46Å; Y105-N108 PolarHBondContact O-N 3.25Å
109I98.1Very high97.4Very high26 Ų2680.5 Ų80.513%0.13342%0.417CS..PPolyproline II helixtrans-62.2161.7172.4-160.9167.3000111.5F47 A51 D113 L117F47-I109 HydrophobicContact CB-CB 4.17Å; F47-I109 HydrophobicContact CB-CD1 4.32Å; F47-I109 HydrophobicContact CB-CG2 3.62Å; F47-I109 WeakPolarHBondContact O-CG2 3.26Å; F47-I109 PolarHBondContact O-N 2.79Å; F47-I109 VanDerWaalsContact O-N 3.13Å; A51-I109 HydrophobicContact CB-CD1 4.45Å; I109-D113 HydrophobicContact CD1-CB 3.66Å; I109-D113 HydrophobicContact CG1-CB 3.88Å; I109-L117 HydrophobicContact CD1-CD1 3.51Å
110S98Very high97.6Very high52 Ų5276.8 Ų76.836%0.36441%0.407SS..PPolyproline II helixtrans-60.7154.8170.579.30000111E112 D113 G114S110-E112 VanDerWaalsContact C-N 3.28Å; S110-E112 PolarHBondContact O-N 2.9Å; S110-D113 WeakPolarHBondContact OG-CB 3.44Å; S110-D113 PolarHBondContact OG-N 2.84Å; S110-D113 VanDerWaalsContact OG-N 3.1Å; S110-D113 PolarHBondContact OG-OD2 2.85Å; S110-G114 PolarHBondContact O-N 3.17Å
111K97.4Very high97.7Very high160 Ų16072.8 Ų72.870%0.69637%0.366SS*.Hα-helixtrans-59.3-40.7177.8-176.4-177.9177.9-176.90111.9L115 Y149K111-L115 WeakPolarHBondContact O-CB 3.35Å; K111-L115 PolarHBondContact O-N 2.87Å; K111-Y149 HydrophobicContact CG-CE1 4.3Å
112E97.9Very high97.8Very high144 Ų14462.3 Ų62.367%0.67332%0.321SS*.Hα-helixtrans-69.9-48.6-176-68.8164-16100111.6S110 L115 K116S110-E112 VanDerWaalsContact C-N 3.28Å; S110-E112 PolarHBondContact O-N 2.9Å; E112-L115 PolarHBondContact O-N 2.83Å; E112-K116 WeakPolarHBondContact O-CG 3.35Å; E112-K116 PolarHBondContact O-N 2.99Å
113D98.2Very high97.9Very high71 Ų7163.9 Ų63.938%0.3833%0.326SS..Hα-helixtrans-72.7-35.4179.6-56.4-41.4000111.1I109 S110 L115 K116 L117I109-D113 HydrophobicContact CD1-CB 3.66Å; I109-D113 HydrophobicContact CG1-CB 3.88Å; S110-D113 WeakPolarHBondContact OG-CB 3.44Å; S110-D113 PolarHBondContact OG-N 2.84Å; S110-D113 VanDerWaalsContact OG-N 3.1Å; S110-D113 PolarHBondContact OG-OD2 2.85Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.84Å; D113-K116 PolarHBondContact O-N 2.97Å; D113-K116 IonicContact OD1-NZ 3.41Å; D113-K116 PolarHBondContact OD1-NZ 2.98Å; D113-L117 WeakPolarHBondContact O-CG 3.43Å; D113-L117 PolarHBondContact O-N 2.91Å
114G98.4Very high98Very high0 Ų061.9 Ų61.90%032%0.317CS..Hα-helixtrans-61.5-38.6173.500000113S110 Y118S110-G114 PolarHBondContact O-N 3.17Å; G114-Y118 WeakPolarHBondContact O-CB 3.28Å; G114-Y118 PolarHBondContact O-N 3.07Å
115L98.7Very high98.1Very high79 Ų7959 Ų5941%0.41430%0.304SS..Hα-helixtrans-64.1-45.7173.8175.460.1000111.3K111 E112 D113 Y118 S119 Y149K111-L115 WeakPolarHBondContact O-CB 3.35Å; K111-L115 PolarHBondContact O-N 2.87Å; E112-L115 PolarHBondContact O-N 2.83Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 2.84Å; L115-Y118 PolarHBondContact O-N 3.09Å; L115-S119 PolarHBondContact O-N 2.98Å; L115-S119 PolarHBondContact O-OG 3.08Å; L115-Y149 HydrophobicContact CB-CD1 4Å; L115-Y149 HydrophobicContact CB-CE1 4.07Å; L115-Y149 HydrophobicContact CB-CG 4.49Å; L115-Y149 HydrophobicContact CD1-CD1 3.95Å; L115-Y149 HydrophobicContact CD1-CG 3.81Å
116K98.6Very high98.2Very high129 Ų12958 Ų5856%0.56130%0.302SS*.Hα-helixtrans-58.5-51.3177.9-67.8170.7-168.7161.20111.4E112 D113 Y118 S119 S120E112-K116 WeakPolarHBondContact O-CG 3.35Å; E112-K116 PolarHBondContact O-N 2.99Å; D113-K116 PolarHBondContact O-N 2.97Å; D113-K116 IonicContact OD1-NZ 3.41Å; D113-K116 PolarHBondContact OD1-NZ 2.98Å; K116-Y118 VanDerWaalsContact C-N 3.31Å; K116-Y118 PolarHBondContact O-N 3.21Å; K116-S119 PolarHBondContact O-N 3.2Å; K116-S120 PolarHBondContact O-N 2.97Å; K116-S120 PolarHBondContact O-OG 2.99Å
117L98.8Very high98.3Very high12 Ų1259.8 Ų59.86%0.06331%0.308CS..Hα-helixtrans-62.9-38.7179-68.1179.4000112.3F47 A51 D53 L56 I109 D113 S120 F121F47-L117 HydrophobicContact CB-CD1 4.24Å; F47-L117 HydrophobicContact CD1-CB 4.01Å; F47-L117 HydrophobicContact CD1-CD1 3.71Å; F47-L117 HydrophobicContact CD2-CB 4.16Å; F47-L117 HydrophobicContact CE1-CB 3.84Å; F47-L117 HydrophobicContact CE1-CD1 4.25Å; F47-L117 HydrophobicContact CE2-CB 3.97Å; F47-L117 HydrophobicContact CG-CB 4.19Å; F47-L117 HydrophobicContact CG-CD1 3.99Å; F47-L117 HydrophobicContact CZ-CB 3.81Å; A51-L117 HydrophobicContact CB-CD1 3.75Å; D53-L117 HydrophobicContact CB-CD2 4.24Å; L56-L117 HydrophobicContact CD1-CD2 4.29Å; I109-L117 HydrophobicContact CD1-CD1 3.51Å; D113-L117 WeakPolarHBondContact O-CG 3.43Å; D113-L117 PolarHBondContact O-N 2.91Å; L117-S120 PolarHBondContact O-N 2.97Å; L117-F121 VanDerWaalsContact O-CB 3.24Å; L117-F121 WeakPolarHBondContact O-CB 3.45Å; L117-F121 PolarHBondContact O-N 3.12Å
118Y98.9Very high98.4Very high4 Ų459.5 Ų59.52%0.01630%0.304CS..Hα-helixtrans-62.5-46.7176.7-178.5-109.4000111.9I45 I88 P90 G114 L115 K116 F121 I122 G147 Y149I45-Y118 HydrophobicContact CG2-CD2 3.84Å; I45-Y118 HydrophobicContact CG2-CE2 3.91Å; I88-Y118 HydrophobicContact CG2-CE2 3.7Å; I88-Y118 PolarHBondContact O-OH 3.43Å; P90-Y118 HydrophobicContact CB-CD2 4.07Å; P90-Y118 HydrophobicContact CB-CE1 4.33Å; P90-Y118 HydrophobicContact CB-CE2 3.69Å; P90-Y118 VanDerWaalsContact CD-OH 3.29Å; P90-Y118 WeakPolarHBondContact CD-OH 3.3Å; P90-Y118 HydrophobicContact CG-CE1 4.23Å; P90-Y118 HydrophobicContact CG-CE2 4.14Å; G114-Y118 WeakPolarHBondContact O-CB 3.28Å; G114-Y118 PolarHBondContact O-N 3.07Å; L115-Y118 PolarHBondContact O-N 3.09Å; K116-Y118 VanDerWaalsContact C-N 3.31Å; K116-Y118 PolarHBondContact O-N 3.21Å; Y118-F121 PolarHBondContact O-N 2.86Å; Y118-I122 HydrophobicContact CD1-CD1 3.73Å; Y118-I122 HydrophobicContact CE1-CD1 3.35Å; Y118-I122 HydrophobicContact CE1-CG1 4.45Å; Y118-I122 HydrophobicContact CE2-CD1 4.24Å; Y118-I122 HydrophobicContact CG-CD1 4.32Å; Y118-I122 WeakPolarHBondContact O-CG1 3.29Å; Y118-I122 PolarHBondContact O-N 3.04Å; Y118-G147 PolarHBondContact OH-N 2.82Å; Y118-G147 PolarHBondContact OH-O 2.9Å; Y118-Y149 AromaticContact CD1-CD2 3.54Å; Y118-Y149 HydrophobicContact CD1-CD2 3.54Å; Y118-Y149 HydrophobicContact CD1-CE2 4.47Å; Y118-Y149 HydrophobicContact CD1-CG 4.18Å; Y118-Y149 HydrophobicContact CD2-CD2 4.27Å; Y118-Y149 HydrophobicContact CE1-CD2 4.16Å; Y118-Y149 AromaticContact CG-CD2 3.61Å; Y118-Y149 HydrophobicContact CG-CD2 3.61Å; Y118-Y149 HydrophobicContact CG-CE2 4.11Å
119S98.8Very high98.4Very high57 Ų5758.4 Ų58.440%0.39930%0.299SS..Hα-helixtrans-61-46.9175.5-65.70000112L115 K116 F121 I122 S123L115-S119 PolarHBondContact O-N 2.98Å; L115-S119 PolarHBondContact O-OG 3.08Å; K116-S119 PolarHBondContact O-N 3.2Å; S119-F121 VanDerWaalsContact C-N 3.32Å; S119-F121 PolarHBondContact O-N 2.94Å; S119-I122 PolarHBondContact O-N 3.33Å; S119-S123 PolarHBondContact O-N 3.05Å; S119-S123 VanDerWaalsContact O-N 3.11Å; S119-S123 PolarHBondContact O-OG 2.73Å
120S98.8Very high98.3Very high52 Ų5261.4 Ų61.436%0.36431%0.313SS..Hα-helixtrans-62.2-38.8177-64.20000112.6K116 L117 S123 L124K116-S120 PolarHBondContact O-N 2.97Å; K116-S120 PolarHBondContact O-OG 2.99Å; L117-S120 PolarHBondContact O-N 2.97Å; S120-S123 PolarHBondContact O-N 2.91Å; S120-L124 WeakPolarHBondContact O-CG 3.44Å; S120-L124 PolarHBondContact O-N 2.85Å
121F98.9Very high98.3Very high0 Ų061.4 Ų61.40%032%0.316CS..Hα-helixtrans-62.3-45.5176.2177-105.9000111.9I43 I45 F47 L56 M59 V60 L63 I88 L117 Y118 S119 L124 C125I43-F121 HydrophobicContact CD1-CZ 4.31Å; I43-F121 HydrophobicContact CG2-CE1 4.3Å; I43-F121 HydrophobicContact CG2-CZ 4.21Å; I45-F121 HydrophobicContact CD1-CD1 3.8Å; I45-F121 HydrophobicContact CD1-CD2 4.09Å; I45-F121 HydrophobicContact CD1-CE1 3.85Å; I45-F121 HydrophobicContact CD1-CE2 4.12Å; I45-F121 HydrophobicContact CD1-CG 3.92Å; I45-F121 HydrophobicContact CD1-CZ 4Å; F47-F121 HydrophobicContact CZ-CB 4.3Å; L56-F121 HydrophobicContact CD2-CB 4.21Å; L56-F121 HydrophobicContact CD2-CD2 4.34Å; M59-F121 HydrophobicContact CE-CD2 3.36Å; M59-F121 HydrophobicContact CE-CE2 3.5Å; M59-F121 HydrophobicContact CE-CG 4.26Å; M59-F121 HydrophobicContact CE-CZ 4.49Å; M59-F121 HydrophobicContact CG-CE2 4.3Å; M59-F121 HydrophobicContact SD-CE2 4.46Å; V60-F121 HydrophobicContact CG2-CD2 3.6Å; V60-F121 HydrophobicContact CG2-CE2 3.53Å; L63-F121 HydrophobicContact CD1-CE2 4.01Å; L63-F121 HydrophobicContact CD1-CZ 3.86Å; I88-F121 HydrophobicContact CD1-CD1 4.24Å; I88-F121 HydrophobicContact CD1-CE1 3.98Å; I88-F121 HydrophobicContact CG1-CE1 4.34Å; I88-F121 HydrophobicContact CG2-CD1 3.94Å; I88-F121 HydrophobicContact CG2-CE1 3.74Å; L117-F121 VanDerWaalsContact O-CB 3.24Å; L117-F121 WeakPolarHBondContact O-CB 3.45Å; L117-F121 PolarHBondContact O-N 3.12Å; Y118-F121 PolarHBondContact O-N 2.86Å; S119-F121 VanDerWaalsContact C-N 3.32Å; S119-F121 PolarHBondContact O-N 2.94Å; F121-L124 PolarHBondContact O-N 3.46Å; F121-C125 VanDerWaalsContact CZ-SG 3.56Å; F121-C125 PolarHBondContact O-N 3.36Å
122I98.9Very high98.2Very high11 Ų1154.7 Ų54.76%0.05629%0.291CS..Hα-helixtrans-57.8-50.9176-68.7159.9000110.6I88 Y118 S119 L124 C125 E126 H146I88-I122 HydrophobicContact CD1-CB 4.46Å; I88-I122 HydrophobicContact CD1-CG1 4Å; I88-I122 HydrophobicContact CG2-CG1 4.35Å; Y118-I122 HydrophobicContact CD1-CD1 3.73Å; Y118-I122 HydrophobicContact CE1-CD1 3.35Å; Y118-I122 HydrophobicContact CE1-CG1 4.45Å; Y118-I122 HydrophobicContact CE2-CD1 4.24Å; Y118-I122 HydrophobicContact CG-CD1 4.32Å; Y118-I122 WeakPolarHBondContact O-CG1 3.29Å; Y118-I122 PolarHBondContact O-N 3.04Å; S119-I122 PolarHBondContact O-N 3.33Å; I122-L124 VanDerWaalsContact C-N 3.28Å; I122-L124 PolarHBondContact O-N 3.26Å; I122-C125 WeakPolarHBondContact O-CB 3.28Å; I122-C125 PolarHBondContact O-N 3.41Å; I122-C125 VanDerWaalsContact O-N 3.14Å; I122-E126 HydrophobicContact CG2-CG 4.45Å; I122-E126 PolarHBondContact O-N 3.46Å; I122-H146 HydrophobicContact CD1-CB 3.7Å; I122-H146 HydrophobicContact CG1-CB 4.07Å
123S98.8Very high98.1Very high71 Ų7148 Ų4850%0.49726%0.26SS..Hα-helixtrans-61.1-36.4-178.5-59.60000112.8S119 S120 K127S119-S123 PolarHBondContact O-N 3.05Å; S119-S123 VanDerWaalsContact O-N 3.11Å; S119-S123 PolarHBondContact O-OG 2.73Å; S120-S123 PolarHBondContact O-N 2.91Å; S123-K127 WeakPolarHBondContact O-CB 3.3Å; S123-K127 PolarHBondContact O-N 2.83Å
124L98.8Very high98Very high56 Ų5646.3 Ų46.329%0.29326%0.26SS..Hα-helixtrans-69.9-40.9175.3-73.3170.2000112.1L56 V60 S120 F121 I122 K127 E128L56-L124 HydrophobicContact CB-CD1 3.48Å; L56-L124 VanDerWaalsContact CB-CD1 3.48Å; L56-L124 HydrophobicContact CD1-CD1 4.25Å; V60-L124 HydrophobicContact CG1-CB 4.48Å; V60-L124 HydrophobicContact CG2-CB 3.84Å; S120-L124 WeakPolarHBondContact O-CG 3.44Å; S120-L124 PolarHBondContact O-N 2.85Å; F121-L124 PolarHBondContact O-N 3.46Å; I122-L124 VanDerWaalsContact C-N 3.28Å; I122-L124 PolarHBondContact O-N 3.26Å; L124-K127 PolarHBondContact O-N 3.49Å; L124-E128 WeakPolarHBondContact O-CB 3.38Å; L124-E128 PolarHBondContact O-N 2.8Å
125C98.8Very high97.8Very high0 Ų054.6 Ų54.60%030%0.298CS..Hα-helixtrans-61.4-43.8173.6-77.10000112.2L86 I88 F121 I122 E128 L129L86-C125 HydrophobicContact CD1-CB 4.08Å; I88-C125 HydrophobicContact CD1-CB 3.85Å; F121-C125 VanDerWaalsContact CZ-SG 3.56Å; F121-C125 PolarHBondContact O-N 3.36Å; I122-C125 WeakPolarHBondContact O-CB 3.28Å; I122-C125 PolarHBondContact O-N 3.41Å; I122-C125 VanDerWaalsContact O-N 3.14Å; C125-E128 PolarHBondContact O-N 2.94Å; C125-L129 VanDerWaalsContact O-CB 3.24Å; C125-L129 WeakPolarHBondContact O-CB 3.16Å; C125-L129 PolarHBondContact O-N 2.85Å
126E98.5Very high97.5Very high73 Ų7355 Ų5534%0.34130%0.304SS..Hα-helixtrans-58.7-50175.3-80.5172.6-179.900111.6I122 E128 L129 M130 V144I122-E126 HydrophobicContact CG2-CG 4.45Å; I122-E126 PolarHBondContact O-N 3.46Å; E126-E128 PolarHBondContact O-N 3.33Å; E126-L129 PolarHBondContact O-N 3.38Å; E126-M130 VanDerWaalsContact O-CB 3.31Å; E126-M130 WeakPolarHBondContact O-CB 3.29Å; E126-M130 WeakPolarHBondContact O-CG 3.4Å; E126-M130 PolarHBondContact O-N 3Å; E126-V144 HydrophobicContact CB-CG2 4.33Å; E126-V144 HydrophobicContact CG-CB 3.49Å; E126-V144 VanDerWaalsContact CG-CB 3.49Å; E126-V144 HydrophobicContact CG-CG1 3.86Å; E126-V144 HydrophobicContact CG-CG2 3.6Å
127K98.3Very high97.2Very high155 Ų15551.5 Ų51.567%0.67431%0.305SS*.Hα-helixtrans-57.5-49.7179.2-178.6-177.2175.1-175.10111.9S123 L124 A131S123-K127 WeakPolarHBondContact O-CB 3.3Å; S123-K127 PolarHBondContact O-N 2.83Å; L124-K127 PolarHBondContact O-N 3.49Å; K127-A131 VanDerWaalsContact O-CB 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.35Å; K127-A131 PolarHBondContact O-N 3.01Å
128E98.1Very high97Very high73 Ų7355.8 Ų55.834%0.34132%0.32SS..Hα-helixtrans-67.2-43.5-176.9-171.471.7177.900111.7V60 L64 L80 L124 C125 E126 A131 A132V60-E128 HydrophobicContact CG1-CB 4.09Å; V60-E128 HydrophobicContact CG1-CG 4.43Å; L64-E128 HydrophobicContact CD1-CB 3.88Å; L64-E128 HydrophobicContact CD1-CG 3.89Å; L80-E128 HydrophobicContact CD1-CG 4.5Å; L124-E128 WeakPolarHBondContact O-CB 3.38Å; L124-E128 PolarHBondContact O-N 2.8Å; C125-E128 PolarHBondContact O-N 2.94Å; E126-E128 PolarHBondContact O-N 3.33Å; E128-A131 PolarHBondContact O-N 2.96Å; E128-A132 PolarHBondContact O-N 2.88Å
129L97.4Very high96.8Very high2 Ų259.6 Ų59.61%0.0134%0.338CS..Hα-helixtrans-65.1-43.8179.4-173.566.4000111.7L80 L86 C125 E126 A132 A133 V142 V144L80-L129 HydrophobicContact CD2-CD1 3.65Å; L86-L129 HydrophobicContact CD1-CD2 4.02Å; L86-L129 HydrophobicContact CG-CD2 4Å; C125-L129 VanDerWaalsContact O-CB 3.24Å; C125-L129 WeakPolarHBondContact O-CB 3.16Å; C125-L129 PolarHBondContact O-N 2.85Å; E126-L129 PolarHBondContact O-N 3.38Å; L129-A132 PolarHBondContact O-N 2.91Å; L129-A133 WeakPolarHBondContact O-CB 3.45Å; L129-A133 PolarHBondContact O-N 3.02Å; L129-V142 HydrophobicContact CD1-CB 4.46Å; L129-V142 HydrophobicContact CD1-CG1 4.3Å; L129-V142 HydrophobicContact CD2-CB 3.94Å; L129-V142 HydrophobicContact CD2-CG2 4.44Å; L129-V142 HydrophobicContact CG-CB 3.99Å; L129-V142 HydrophobicContact CG-CG1 4.35Å; L129-V142 HydrophobicContact CG-CG2 4.19Å; L129-V144 HydrophobicContact CB-CG2 4.45Å; L129-V144 HydrophobicContact CD2-CG2 3.59Å
130M96.8Very high96.4Very high88 Ų8861.9 Ų61.943%0.43336%0.361SS..Hα-helixtrans-67.3-37.7177.9-69.1-60-62.600112.1E126 A133 G134 E139 V142E126-M130 VanDerWaalsContact O-CB 3.31Å; E126-M130 WeakPolarHBondContact O-CB 3.29Å; E126-M130 WeakPolarHBondContact O-CG 3.4Å; E126-M130 PolarHBondContact O-N 3Å; M130-A133 PolarHBondContact O-N 3.39Å; M130-G134 PolarHBondContact O-N 3.14Å; M130-E139 HydrophobicContact CE-CB 3.87Å; M130-E139 HydrophobicContact CE-CG 4.19Å; M130-V142 HydrophobicContact SD-CG2 3.85Å
131A96.6Very high96Very high52 Ų5264 Ų6443%0.4337%0.365SS..Hα-helixtrans-61.6-50175.200000111.4K127 E128 A133 G134 E135K127-A131 VanDerWaalsContact O-CB 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.35Å; K127-A131 PolarHBondContact O-N 3.01Å; E128-A131 PolarHBondContact O-N 2.96Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.87Å; A131-G134 PolarHBondContact O-N 3.4Å; A131-E135 PolarHBondContact O-N 3.27Å; A131-E135 VanDerWaalsContact O-N 3.14Å
132A96Very high95.8Very high20 Ų2064.3 Ų64.317%0.16537%0.367CS..Hα-helixtrans-62.7-38.6177.800000112.6L80 E128 L129L80-A132 HydrophobicContact CB-CB 4.06Å; L80-A132 HydrophobicContact CD1-CB 4.34Å; L80-A132 HydrophobicContact CD2-CB 3.92Å; L80-A132 HydrophobicContact CG-CB 4.32Å; E128-A132 PolarHBondContact O-N 2.88Å; L129-A132 PolarHBondContact O-N 2.91Å
133A95.4Very high95.8Very high4 Ų466.3 Ų66.33%0.03338%0.379CS..Hα-helixtrans-66.7-37.9175.400000112L129 M130 A131 E135 T136 G137 R138 E139 V142L129-A133 WeakPolarHBondContact O-CB 3.45Å; L129-A133 PolarHBondContact O-N 3.02Å; M130-A133 PolarHBondContact O-N 3.39Å; A131-A133 VanDerWaalsContact C-N 3.33Å; A131-A133 PolarHBondContact O-N 2.87Å; A133-E135 PolarHBondContact O-N 2.96Å; A133-T136 CarbonylContact O-C 3.52Å; A133-T136 PolarHBondContact O-N 3.01Å; A133-T136 VanDerWaalsContact O-N 3.09Å; A133-T136 PolarHBondContact O-OG1 3.29Å; A133-T136 VanDerWaalsContact O-OG1 3.07Å; A133-G137 PolarHBondContact O-N 2.74Å; A133-R138 PolarHBondContact O-N 2.65Å; A133-E139 HydrophobicContact CB-CG 4.37Å; A133-V142 HydrophobicContact CB-CB 4.5Å; A133-V142 HydrophobicContact CB-CG1 4.13Å; A133-V142 HydrophobicContact CB-CG2 3.55Å
134G95.4Very high95.7Very high35 Ų3563.9 Ų63.936%0.36136%0.362SS..Hα-helixtrans-64.8-33.9177.300000114.1M130 A131 T136 G137 E139M130-G134 PolarHBondContact O-N 3.14Å; A131-G134 PolarHBondContact O-N 3.4Å; G134-T136 PolarHBondContact O-N 3.06Å; G134-G137 PolarHBondContact O-N 2.75Å; G134-E139 VanDerWaalsContact CA-CD 3.49Å; G134-E139 WeakPolarHBondContact CA-OE1 3.39Å
135E94.3Very high95.7Very high173 Ų17366.5 Ų66.581%0.80837%0.368SS*.Hα-helixtrans-62.2-22.9172.7-69.1177.6-176.500113A131 A133A131-E135 PolarHBondContact O-N 3.27Å; A131-E135 VanDerWaalsContact O-N 3.14Å; A133-E135 PolarHBondContact O-N 2.96Å
136T92.4Very high95.7Very high87 Ų8770 Ų7053%0.53438%0.384SS..Hα-helixtrans-111.6-2.6-17964.20000114A133 G134A133-T136 CarbonylContact O-C 3.52Å; A133-T136 PolarHBondContact O-N 3.01Å; A133-T136 VanDerWaalsContact O-N 3.09Å; A133-T136 PolarHBondContact O-OG1 3.29Å; A133-T136 VanDerWaalsContact O-OG1 3.07Å; G134-T136 PolarHBondContact O-N 3.06Å
137G93.7Very high95.8Very high57 Ų5766.6 Ų66.659%0.58837%0.368SS*.THydrogen-bonded Turntrans68.429.1-176.600000114.3A133 G134 E139A133-G137 PolarHBondContact O-N 2.74Å; G134-G137 PolarHBondContact O-N 2.75Å; G137-E139 VanDerWaalsContact CA-OE2 3.23Å; G137-E139 WeakPolarHBondContact CA-OE2 3.42Å
138R94.2Very high95.8Very high101 Ų10161.3 Ų61.338%0.38135%0.349SS..  trans-116.326-174.6-58.6-175.977-172.76.2112.8P83 A133 A140 E141P83-R138 HydrophobicContact CB-CB 4.38Å; P83-R138 HydrophobicContact CG-CB 4.39Å; A133-R138 PolarHBondContact O-N 2.65Å; R138-A140 PolarHBondContact O-N 3.28Å; R138-E141 HydrophobicContact CB-CB 4.5Å; R138-E141 HydrophobicContact CB-CG 4.39Å; R138-E141 IonicContact CZ-OE1 3.26Å; R138-E141 IonicContact CZ-OE2 2.73Å; R138-E141 VanDerWaalsContact CZ-OE2 3.26Å; R138-E141 VanDerWaalsContact NE-CD 3.27Å; R138-E141 IonicContact NE-OE1 3.29Å; R138-E141 PolarHBondContact NE-OE1 3.09Å; R138-E141 IonicContact NE-OE2 3.43Å; R138-E141 PolarHBondContact NE-OE2 3.27Å; R138-E141 IonicContact NH2-OE1 3.83Å; R138-E141 PolarHBondContact NH2-OE1 2.75Å; R138-E141 IonicContact NH2-OE2 2.91Å; R138-E141 PolarHBondContact NH2-OE2 3.18Å; R138-E141 WeakPolarHBondContact O-CB 3.27Å; R138-E141 PolarHBondContact O-N 2.85Å
139E93.4Very high95.8Very high84 Ų8460.5 Ų60.539%0.39334%0.343SS..G310 helixtrans-56.9-34.1-178.8-6097133.800112.6M130 A133 G134 G137 E141M130-E139 HydrophobicContact CE-CB 3.87Å; M130-E139 HydrophobicContact CE-CG 4.19Å; A133-E139 HydrophobicContact CB-CG 4.37Å; G134-E139 VanDerWaalsContact CA-CD 3.49Å; G134-E139 WeakPolarHBondContact CA-OE1 3.39Å; G137-E139 VanDerWaalsContact CA-OE2 3.23Å; G137-E139 WeakPolarHBondContact CA-OE2 3.42Å; E139-E141 PolarHBondContact O-N 2.97Å
140A91.6Very high95.7Very high106 Ų10663.4 Ų63.488%0.87637%0.373SS*.G310 helixtrans-70.6-13.8178.500000113.9R138R138-A140 PolarHBondContact O-N 3.28Å
141E90.6Very high95.7Very high97 Ų9762.6 Ų62.645%0.45337%0.369SS..G310 helixtrans-94.9-16.5-176.8-59.3-173.6-136.800113.2R138 E139R138-E141 HydrophobicContact CB-CB 4.5Å; R138-E141 HydrophobicContact CB-CG 4.39Å; R138-E141 IonicContact CZ-OE1 3.26Å; R138-E141 IonicContact CZ-OE2 2.73Å; R138-E141 VanDerWaalsContact CZ-OE2 3.26Å; R138-E141 VanDerWaalsContact NE-CD 3.27Å; R138-E141 IonicContact NE-OE1 3.29Å; R138-E141 PolarHBondContact NE-OE1 3.09Å; R138-E141 IonicContact NE-OE2 3.43Å; R138-E141 PolarHBondContact NE-OE2 3.27Å; R138-E141 IonicContact NH2-OE1 3.83Å; R138-E141 PolarHBondContact NH2-OE1 2.75Å; R138-E141 IonicContact NH2-OE2 2.91Å; R138-E141 PolarHBondContact NH2-OE2 3.18Å; R138-E141 WeakPolarHBondContact O-CB 3.27Å; R138-E141 PolarHBondContact O-N 2.85Å; E139-E141 PolarHBondContact O-N 2.97Å
142V94.8Very high95.7Very high6 Ų669 Ų694%0.03638%0.381CS..  trans-105.7141.8-177.5-60.80000110.9P83 L129 M130 A133P83-V142 HydrophobicContact CB-CG1 3.68Å; L129-V142 HydrophobicContact CD1-CB 4.46Å; L129-V142 HydrophobicContact CD1-CG1 4.3Å; L129-V142 HydrophobicContact CD2-CB 3.94Å; L129-V142 HydrophobicContact CD2-CG2 4.44Å; L129-V142 HydrophobicContact CG-CB 3.99Å; L129-V142 HydrophobicContact CG-CG1 4.35Å; L129-V142 HydrophobicContact CG-CG2 4.19Å; M130-V142 HydrophobicContact SD-CG2 3.85Å; A133-V142 HydrophobicContact CB-CB 4.5Å; A133-V142 HydrophobicContact CB-CG1 4.13Å; A133-V142 HydrophobicContact CB-CG2 3.55Å
143T97.2Very high95.8Very high52 Ų5269.7 Ų69.732%0.31938%0.382SS..  trans-141.1146.517157.40000109.5S85 L86S85-T143 CarbonylContact C-O 3.14Å; S85-T143 VanDerWaalsContact CA-O 3.27Å; S85-T143 WeakPolarHBondContact CA-O 3.29Å; S85-T143 VanDerWaalsContact CB-O 3.27Å; S85-T143 WeakPolarHBondContact CB-O 3.09Å; S85-T143 PolarHBondContact OG-N 2.91Å; S85-T143 VanDerWaalsContact OG-N 3.08Å; S85-T143 PolarHBondContact OG-OG1 3.15Å; L86-T143 PolarHBondContact N-O 2.62Å
144V98.6Very high95.9Very high20 Ų2072.3 Ų72.312%0.12140%0.397CS..EExtended strand (participates in β ladder)trans-106.8126.3163.8-175.20000107.7L86 I88 E126 L129L86-V144 HydrophobicContact CB-CG1 4.24Å; L86-V144 HydrophobicContact CB-CG2 4.24Å; L86-V144 HydrophobicContact CD1-CG2 4.18Å; L86-V144 WeakPolarHBondContact O-CA 3.36Å; I88-V144 HydrophobicContact CD1-CG1 3.83Å; I88-V144 HydrophobicContact CG1-CG1 4.41Å; E126-V144 HydrophobicContact CB-CG2 4.33Å; E126-V144 HydrophobicContact CG-CB 3.49Å; E126-V144 VanDerWaalsContact CG-CB 3.49Å; E126-V144 HydrophobicContact CG-CG1 3.86Å; E126-V144 HydrophobicContact CG-CG2 3.6Å; L129-V144 HydrophobicContact CB-CG2 4.45Å; L129-V144 HydrophobicContact CD2-CG2 3.59Å
145R98.8Very high96.1Very high112 Ų11273.2 Ų73.242%0.42339%0.393SS..EExtended strand (participates in β ladder)trans-121.8154.8171.1-60.9-60.4-174-178.8-1.5108.3V35 I37 L86 L87 I88V35-R145 HydrophobicContact CB-CB 4.13Å; V35-R145 HydrophobicContact CB-CG 4.16Å; V35-R145 HydrophobicContact CG2-CB 3.87Å; V35-R145 HydrophobicContact CG2-CG 4.44Å; I37-R145 HydrophobicContact CG2-CB 3.79Å; I37-R145 HydrophobicContact CG2-CG 3.57Å; L86-R145 PolarHBondContact O-N 2.95Å; L87-R145 CarbonylContact C-O 3.49Å; L87-R145 VanDerWaalsContact CA-O 3.31Å; L87-R145 WeakPolarHBondContact CA-O 3.29Å; L87-R145 HydrophobicContact CD1-CB 3.89Å; I88-R145 PolarHBondContact N-O 3Å
146H98.9Very high96.3Very high73 Ų7371.1 Ų71.134%0.33838%0.383SS..EExtended strand (participates in β ladder)trans-147.8156.6-176.564.677.4000111.5V23 I88 I122V23-H146 WeakPolarHBondContact CG1-O 3.44Å; I88-H146 HydrophobicContact CB-CB 4.17Å; I88-H146 CarbonylContact O-C 3.55Å; I88-H146 WeakPolarHBondContact O-CA 3.27Å; I122-H146 HydrophobicContact CD1-CB 3.7Å; I122-H146 HydrophobicContact CG1-CB 4.07Å
147G98.7Very high96.6Very high1 Ų169.5 Ų69.51%0.0137%0.371CS..PPolyproline II helixtrans-74.7155.6173.400000112.3I88 Y118 Y149I88-G147 PolarHBondContact O-N 2.79Å; Y118-G147 PolarHBondContact OH-N 2.82Å; Y118-G147 PolarHBondContact OH-O 2.9Å; G147-Y149 PolarHBondContact O-N 2.89Å
148T98.5Very high96.8Very high45 Ų4570.9 Ų70.928%0.27637%0.365SS..PPolyproline II helixtrans-78.4117.8171.4-56.80000109V23 G150 Q151 Q153V23-T148 WeakPolarHBondContact O-CB 3.39Å; V23-T148 PolarHBondContact O-OG1 3.26Å; T148-G150 PolarHBondContact O-N 2.85Å; T148-Q151 HydrophobicContact CG2-CB 4.49Å; T148-Q151 VanDerWaalsContact CG2-CD 3.49Å; T148-Q151 HydrophobicContact CG2-CG 3.83Å; T148-Q151 PolarHBondContact O-N 3Å; T148-Q153 PolarHBondContact O-NE2 3.39Å
149Y98.1Very high97Very high56 Ų5668 Ų6822%0.2236%0.359CS..THydrogen-bonded Turntrans-61.4132.4-176.1-166.1-88.3000111.4P90 K111 L115 Y118 G147 Q151P90-Y149 HydrophobicContact CB-CD2 3.58Å; P90-Y149 HydrophobicContact CB-CE2 3.99Å; P90-Y149 HydrophobicContact CB-CG 4.49Å; P90-Y149 HydrophobicContact CG-CD2 4.24Å; K111-Y149 HydrophobicContact CG-CE1 4.3Å; L115-Y149 HydrophobicContact CB-CD1 4Å; L115-Y149 HydrophobicContact CB-CE1 4.07Å; L115-Y149 HydrophobicContact CB-CG 4.49Å; L115-Y149 HydrophobicContact CD1-CD1 3.95Å; L115-Y149 HydrophobicContact CD1-CG 3.81Å; Y118-Y149 AromaticContact CD1-CD2 3.54Å; Y118-Y149 HydrophobicContact CD1-CD2 3.54Å; Y118-Y149 HydrophobicContact CD1-CE2 4.47Å; Y118-Y149 HydrophobicContact CD1-CG 4.18Å; Y118-Y149 HydrophobicContact CD2-CD2 4.27Å; Y118-Y149 HydrophobicContact CE1-CD2 4.16Å; Y118-Y149 AromaticContact CG-CD2 3.61Å; Y118-Y149 HydrophobicContact CG-CD2 3.61Å; Y118-Y149 HydrophobicContact CG-CE2 4.11Å; G147-Y149 PolarHBondContact O-N 2.89Å; Y149-Q151 VanDerWaalsContact C-N 3.28Å; Y149-Q151 PolarHBondContact O-N 3.32Å
150G95.5Very high97Very high62 Ų6270.3 Ų70.364%0.63937%0.374SS*.THydrogen-bonded Turntrans81.1-3.1-179.300000115.4T148T148-G150 PolarHBondContact O-N 2.85Å
151Q96.5Very high97.2Very high72 Ų7267 Ų6734%0.33635%0.35SS..SBendtrans-93.4170.5171.3-67.2-170.25.100112.2V23 T148 Y149 Q153V23-Q151 PolarHBondContact O-OE1 2.59Å; T148-Q151 HydrophobicContact CG2-CB 4.49Å; T148-Q151 VanDerWaalsContact CG2-CD 3.49Å; T148-Q151 HydrophobicContact CG2-CG 3.83Å; T148-Q151 PolarHBondContact O-N 3Å; Y149-Q151 VanDerWaalsContact C-N 3.28Å; Y149-Q151 PolarHBondContact O-N 3.32Å; Q151-Q153 PolarHBondContact O-N 3.07Å; Q151-Q153 PolarHBondContact O-NE2 3.42Å
152R96.8Very high97.5Very high185 Ų18564.7 Ų64.770%0.69834%0.343SS*.  trans-68.9129.2171.1-175.4175.8-68.8-179.30.8110.5V154R152-V154 HydrophobicContact CG-CG2 3.79Å; R152-V154 PolarHBondContact O-N 2.89Å
153Q98.2Very high97.6Very high36 Ų3668.3 Ų68.317%0.16836%0.357CS..  trans-90.272.5179.7-51.8-55.1-52.700110.4L21 V89 T148 Q151 L155L21-Q153 HydrophobicContact CD1-CB 4.1Å; V89-Q153 HydrophobicContact CG1-CB 3.86Å; V89-Q153 HydrophobicContact CG1-CG 3.77Å; T148-Q153 PolarHBondContact O-NE2 3.39Å; Q151-Q153 PolarHBondContact O-N 3.07Å; Q151-Q153 PolarHBondContact O-NE2 3.42Å; Q153-L155 PolarHBondContact O-N 3.02Å; Q153-L155 VanDerWaalsContact O-N 3.14Å
154V98.4Very high97.7Very high59 Ų5969.4 Ų69.436%0.35836%0.364SS..  trans-71.7106.6176.5-178.20000108.8Q22 R152Q22-V154 HydrophobicContact CB-CB 3.83Å; Q22-V154 PolarHBondContact N-O 3.09Å; Q22-V154 VanDerWaalsContact OE1-CB 3.25Å; R152-V154 HydrophobicContact CG-CG2 3.79Å; R152-V154 PolarHBondContact O-N 2.89Å
155L98.6Very high97.7Very high54 Ų5471.5 Ų71.528%0.28337%0.372SS..EExtended strand (participates in β ladder)trans-121132-16817865000111.2L21 Y44 L87 Q153L21-L155 HydrophobicContact CB-CD1 4.29Å; L21-L155 HydrophobicContact CD1-CB 4.1Å; L21-L155 HydrophobicContact CD1-CD1 4.21Å; Y44-L155 HydrophobicContact CE1-CD2 3.82Å; Y44-L155 WeakPolarHBondContact OH-CD2 3.24Å; L87-L155 HydrophobicContact CD2-CD1 3.75Å; Q153-L155 PolarHBondContact O-N 3.02Å; Q153-L155 VanDerWaalsContact O-N 3.14Å
156Q98.7Very high97.7Very high129 Ų12971 Ų7160%0.60338%0.377SS*.EExtended strand (participates in β ladder)trans-111.8131.4163.4-177.5-179.92.600108.6A19 R20A19-Q156 WeakPolarHBondContact CA-O 3.19Å; R20-Q156 HydrophobicContact CB-CB 4.35Å; R20-Q156 PolarHBondContact N-O 3.3Å; R20-Q156 PolarHBondContact O-N 3.01Å
157L98.5Very high97.6Very high53 Ų5369.9 Ų69.928%0.27737%0.373SS..EExtended strand (participates in β ladder)trans-132.1123.6-175.6-168.864.4000110.2C16 A19 V42 T159C16-L157 HydrophobicContact CB-CD1 3.55Å; C16-L157 HydrophobicContact CB-CG 4.48Å; A19-L157 HydrophobicContact CB-CD1 3.59Å; V42-L157 HydrophobicContact CG2-CD1 3.58Å; L157-T159 HydrophobicContact CD1-CG2 4.4Å; L157-T159 HydrophobicContact CD2-CG2 3.88Å; L157-T159 HydrophobicContact CG-CG2 3.67Å
158D98.4Very high97.5Very high86 Ų8673.2 Ų73.246%0.4639%0.39SS..EExtended strand (participates in β ladder)trans-108.8128.1172.1-178.123.7000109.9L17 H18L17-D158 PolarHBondContact N-O 3.44Å; H18-D158 HydrophobicContact CB-CB 4.34Å; H18-D158 PolarHBondContact N-O 3.47Å; H18-D158 PolarHBondContact O-N 2.85Å
159T97.6Very high97.3Very high41 Ų4174 Ų7425%0.25239%0.39SS..  trans-144143.1-173.677.40000110.6Q15 C16 L157 G161 P162Q15-T159 WeakPolarHBondContact O-CG2 3.38Å; C16-T159 HydrophobicContact CB-CG2 4.4Å; L157-T159 HydrophobicContact CD1-CG2 4.4Å; L157-T159 HydrophobicContact CD2-CG2 3.88Å; L157-T159 HydrophobicContact CG-CG2 3.67Å; T159-G161 PolarHBondContact O-N 2.98Å; T159-G161 PolarHBondContact OG1-N 3.28Å; T159-P162 HydrophobicContact CG2-CB 4.16Å; T159-P162 WeakPolarHBondContact OG1-CD 3.43Å
160N94.3Very high97.2Very high132 Ų13275 Ų7571%0.70640%0.399SS*.SBendtrans-92.756.2161.9-172.131.1000110.1L17L17-N160 HydrophobicContact CD1-CB 4.13Å; L17-N160 HydrophobicContact CD2-CB 4.5Å; L17-N160 HydrophobicContact CG-CB 4.45Å
161G95.4Very high97.3Very high37 Ų3775.6 Ų75.638%0.38139%0.386SS..  trans91.6108.3-169.500000111.9Q15 T159 Y163Q15-G161 WeakPolarHBondContact CG-O 3.46Å; Q15-G161 PolarHBondContact NE2-O 3.33Å; Q15-G161 VanDerWaalsContact NE2-O 3.09Å; T159-G161 PolarHBondContact O-N 2.98Å; T159-G161 PolarHBondContact OG1-N 3.28Å; G161-Y163 PolarHBondContact O-N 2.91Å; G161-Y163 VanDerWaalsContact O-N 3.14Å
162P97Very high97.4Very high47 Ų4775.8 Ų75.831%0.30539%0.389SS..  trans-68.2-19-171.626.6-35.2000113.6Q14 Q15 T159 T164Q14-P162 CarbonylContact C-O 3.57Å; Q14-P162 VanDerWaalsContact CA-O 3.29Å; Q14-P162 WeakPolarHBondContact CA-O 3.16Å; Q14-P162 HydrophobicContact CB-CB 4.25Å; Q14-P162 HydrophobicContact CG-CB 4.25Å; Q15-P162 PolarHBondContact N-O 3.25Å; T159-P162 HydrophobicContact CG2-CB 4.16Å; T159-P162 WeakPolarHBondContact OG1-CD 3.43Å; P162-T164 VanDerWaalsContact C-N 3.31Å; P162-T164 PolarHBondContact O-N 3.09Å
163Y97.6Very high97.4Very high83 Ų8369.4 Ų69.433%0.32537%0.371SS..  trans45.853.7-179.2-160.7-121.8000112.4L68 R76 G161 H165L68-Y163 HydrophobicContact CD2-CD1 4.09Å; L68-Y163 HydrophobicContact CD2-CE1 3.89Å; R76-Y163 VanDerWaalsContact NH1-CZ 3.33Å; R76-Y163 PolarHBondContact NH1-OH 3.14Å; R76-Y163 VanDerWaalsContact NH2-CE2 3.34Å; G161-Y163 PolarHBondContact O-N 2.91Å; G161-Y163 VanDerWaalsContact O-N 3.14Å; Y163-H165 AromaticContact CD1-CE1 3.43Å; Y163-H165 VanDerWaalsContact CD1-CE1 3.43Å; Y163-H165 WeakPolarHBondContact CD1-CE1 3.38Å; Y163-H165 AromaticContact CD1-ND1 3.98Å; Y163-H165 AromaticContact CE1-CE1 3.19Å; Y163-H165 WeakPolarHBondContact CE1-CE1 3.37Å; Y163-H165 AromaticContact CE1-NE2 3.84Å; Y163-H165 AromaticContact CE2-CE1 3.88Å; Y163-H165 AromaticContact CG-CE1 3.85Å; Y163-H165 AromaticContact CZ-CE1 3.41Å; Y163-H165 VanDerWaalsContact CZ-CE1 3.41Å; Y163-H165 AromaticContact CZ-NE2 3.83Å; Y163-H165 PolarHBondContact O-CE1 3.34Å; Y163-H165 PolarHBondContact O-ND1 3.46Å
164T98.6Very high97.4Very high75 Ų7571.5 Ų71.546%0.4638%0.383SS..  trans-66.2131-169.2-48.90000112.9V12 L13 Q14 P162V12-T164 HydrophobicContact CG1-CG2 3.49Å; V12-T164 VanDerWaalsContact CG1-CG2 3.49Å; L13-T164 CarbonylContact O-C 3.44Å; L13-T164 VanDerWaalsContact O-CA 3.27Å; L13-T164 WeakPolarHBondContact O-CA 3.37Å; Q14-T164 HydrophobicContact CG-CG2 3.95Å; Q14-T164 PolarHBondContact NE2-OG1 3.46Å; P162-T164 VanDerWaalsContact C-N 3.31Å; P162-T164 PolarHBondContact O-N 3.09Å
165H98.5Very high97.3Very high64 Ų6472.3 Ų72.330%0.29639%0.385SS..EExtended strand (participates in β ladder)trans-127.2142174.7-69.766.3000111V12 L13 Y163V12-H165 CarbonylContact C-O 3.56Å; V12-H165 VanDerWaalsContact CA-O 3.28Å; V12-H165 WeakPolarHBondContact CA-O 3.42Å; L13-H165 PolarHBondContact N-O 2.97Å; L13-H165 PolarHBondContact O-N 2.9Å; Y163-H165 AromaticContact CD1-CE1 3.43Å; Y163-H165 VanDerWaalsContact CD1-CE1 3.43Å; Y163-H165 WeakPolarHBondContact CD1-CE1 3.38Å; Y163-H165 AromaticContact CD1-ND1 3.98Å; Y163-H165 AromaticContact CE1-CE1 3.19Å; Y163-H165 WeakPolarHBondContact CE1-CE1 3.37Å; Y163-H165 AromaticContact CE1-NE2 3.84Å; Y163-H165 AromaticContact CE2-CE1 3.88Å; Y163-H165 AromaticContact CG-CE1 3.85Å; Y163-H165 AromaticContact CZ-CE1 3.41Å; Y163-H165 VanDerWaalsContact CZ-CE1 3.41Å; Y163-H165 AromaticContact CZ-NE2 3.83Å; Y163-H165 PolarHBondContact O-CE1 3.34Å; Y163-H165 PolarHBondContact O-ND1 3.46Å
166L98.3Very high97.2Very high102 Ų10273.6 Ų73.653%0.53439%0.392SS..EExtended strand (participates in β ladder)trans-109.6137.2172.6-178.3150000109.2R10 T11 V12R10-L166 HydrophobicContact CG-CG 4.45Å; T11-L166 WeakPolarHBondContact O-CA 3.35Å; V12-L166 HydrophobicContact CG2-CB 4.49Å; V12-L166 HydrophobicContact CG2-CD1 4.32Å; V12-L166 HydrophobicContact CG2-CG 4.47Å
167M96.6Very high97.1Very high48 Ų4869.4 Ų69.424%0.23638%0.376CS..EExtended strand (participates in β ladder)trans-136.4142.2175.9-57.9-177.573.100110.6R10 T11 L13 T62 L63 L66 F169R10-M167 WeakPolarHBondContact CA-O 3.44Å; T11-M167 PolarHBondContact N-O 2.84Å; T11-M167 PolarHBondContact O-N 3.48Å; L13-M167 HydrophobicContact CD1-SD 3.96Å; T62-M167 HydrophobicContact CG2-CE 3.83Å; L63-M167 HydrophobicContact CD2-SD 3.85Å; L66-M167 HydrophobicContact CD1-CE 3.92Å; L66-M167 HydrophobicContact CD1-SD 3.26Å; L66-M167 WeakPolarHBondContact CD1-SD 3.19Å; M167-F169 HydrophobicContact CB-CD2 4.5Å; M167-F169 HydrophobicContact CB-CE2 3.77Å; M167-F169 HydrophobicContact CB-CZ 4.25Å; M167-F169 HydrophobicContact CE-CE1 4.48Å; M167-F169 HydrophobicContact CE-CZ 3.89Å; M167-F169 HydrophobicContact SD-CZ 4.25Å
168D96.6Very high97Very high72 Ų7270.8 Ų70.839%0.38538%0.384SS..EExtended strand (participates in β ladder)trans-116.5134.7172.4-72.1-26.6000108V9 R10V9-D168 CarbonylContact O-C 3.51Å; V9-D168 WeakPolarHBondContact O-CA 3.43Å; R10-D168 WeakPolarHBondContact CB-OD1 3.48Å; R10-D168 WeakPolarHBondContact CG-OD1 3.45Å; R10-D168 IonicContact CZ-OD1 3.76Å; R10-D168 IonicContact CZ-OD2 3.43Å; R10-D168 IonicContact NE-OD1 3.7Å; R10-D168 PolarHBondContact NE-OD1 3.13Å; R10-D168 IonicContact NE-OD2 3.33Å; R10-D168 IonicContact NH2-OD1 2.9Å; R10-D168 PolarHBondContact NH2-OD1 3.44Å; R10-D168 IonicContact NH2-OD2 3.47Å; R10-D168 PolarHBondContact NH2-OD2 3.36Å
169F94.9Very high96.8Very high62 Ų6269.4 Ų69.427%0.27238%0.378SS..  trans-118.20-179-66.2-92.6000110.9G7 L8 V9 T11 I55 M59 T62 L63 M167G7-F169 CarbonylContact C-O 3.13Å; G7-F169 WeakPolarHBondContact CA-O 3.46Å; L8-F169 PolarHBondContact N-O 3.42Å; V9-F169 HydrophobicContact CB-CB 4.31Å; V9-F169 PolarHBondContact N-O 3.47Å; V9-F169 PolarHBondContact O-N 2.98Å; T11-F169 HydrophobicContact CG2-CE2 4.4Å; I55-F169 HydrophobicContact CD1-CB 3.68Å; I55-F169 WeakPolarHBondContact CD1-O 3.4Å; I55-F169 HydrophobicContact CG1-CB 4.31Å; M59-F169 HydrophobicContact CB-CD1 4.05Å; M59-F169 HydrophobicContact CB-CE1 4.15Å; M59-F169 HydrophobicContact CB-CG 4.31Å; M59-F169 HydrophobicContact CB-CZ 4.49Å; M59-F169 HydrophobicContact CG-CD1 4.1Å; M59-F169 HydrophobicContact CG-CD2 3.89Å; M59-F169 HydrophobicContact CG-CE1 4.01Å; M59-F169 HydrophobicContact CG-CE2 3.8Å; M59-F169 HydrophobicContact CG-CG 4.04Å; M59-F169 HydrophobicContact CG-CZ 3.86Å; M59-F169 HydrophobicContact SD-CD2 3.81Å; M59-F169 HydrophobicContact SD-CE2 4.16Å; M59-F169 HydrophobicContact SD-CG 4.14Å; T62-F169 HydrophobicContact CG2-CE1 3.94Å; T62-F169 HydrophobicContact CG2-CZ 4.15Å; L63-F169 HydrophobicContact CD2-CE2 3.86Å; L63-F169 HydrophobicContact CD2-CZ 3.66Å; L63-F169 HydrophobicContact CG-CE2 4.28Å; L63-F169 HydrophobicContact CG-CZ 3.91Å; M167-F169 HydrophobicContact CB-CD2 4.5Å; M167-F169 HydrophobicContact CB-CE2 3.77Å; M167-F169 HydrophobicContact CB-CZ 4.25Å; M167-F169 HydrophobicContact CE-CE1 4.48Å; M167-F169 HydrophobicContact CE-CZ 3.89Å; M167-F169 HydrophobicContact SD-CZ 4.25Å

Retrieved 169 of 169 residues in 547.5 ms (Link to these results)

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