A0A023JCH0_MACMU Loading...

glutathione transferase

Conjugation of reduced glutathione to a wide number of exogenous and endogenous hydrophobic electrophiles. Has a sulfatase activity.

AlphaFold DB (A0A023JCN4), UniProt , Accession A0A023JCH0, Species MACMU (Macaca mulatta, Rhesus macaque), Gene n/a, Length 244 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M61.7Low94.2Very high189 Ų18932.2 Ų32.293%0.93119%0.186SC*.  0139.80-80.3175-92.500107.8
2G88.6Confident94.5Very high54 Ų5430.7 Ų30.756%0.55718%0.176SC*.  trans-73.9160.1179.500000112.1
3L97.8Very high94.9Very high6 Ų629 Ų293%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-67.3129.6171.1-17974.2000109.6I26 F28 E29 L57 D59 L74 Y78L3-I26 HydrophobicContact CD2-CG2 3.92Å; L3-F28 HydrophobicContact CB-CB 4.37Å; L3-F28 HydrophobicContact CD2-CB 3.98Å; L3-F28 HydrophobicContact CG-CB 4.25Å; L3-F28 CarbonylContact O-C 3.58Å; L3-F28 VanDerWaalsContact O-CA 3.26Å; L3-F28 WeakPolarHBondContact O-CA 3.34Å; L3-E29 PolarHBondContact O-N 3.04Å; L3-L57 HydrophobicContact CD1-CD1 3.83Å; L3-L57 HydrophobicContact CD1-CD2 3.88Å; L3-L57 HydrophobicContact CD1-CG 3.65Å; L3-D59 HydrophobicContact CD1-CB 3.88Å; L3-D59 WeakPolarHBondContact CD1-OD2 3.31Å; L3-L74 HydrophobicContact CD1-CD2 4.46Å; L3-L74 HydrophobicContact CD2-CD2 3.56Å; L3-Y78 HydrophobicContact CD2-CE2 4.09Å
4E98.7Very high95.2Very high21 Ų2126.9 Ų26.910%0.09816%0.155CC..EExtended strand (participates in β ladder)trans-111.7133.1175.6-58.5179-105.600109.8Y6 E29 R31 K58E4-Y6 HydrophobicContact CB-CE2 3.98Å; E4-Y6 PolarHBondContact OE2-OH 3.23Å; E4-E29 WeakPolarHBondContact CA-O 3.46Å; E4-E29 HydrophobicContact CG-CB 4.35Å; E4-R31 HydrophobicContact CB-CG 4.32Å; E4-R31 IonicContact OE2-CZ 2.67Å; E4-R31 VanDerWaalsContact OE2-CZ 3.3Å; E4-R31 IonicContact OE2-NE 3.38Å; E4-R31 PolarHBondContact OE2-NE 3.45Å; E4-R31 IonicContact OE2-NH2 2.98Å; E4-R31 PolarHBondContact OE2-NH2 3.03Å; E4-K58 HydrophobicContact CB-CB 4.28Å; E4-K58 PolarHBondContact N-O 3.05Å; E4-K58 PolarHBondContact O-N 3.05Å; E4-K58 IonicContact OE1-NZ 3.77Å; E4-K58 PolarHBondContact OE1-NZ 3.06Å
5L98.8Very high95.4Very high0 Ų025.1 Ų25.10%015%0.145CC..EExtended strand (participates in β ladder)trans-116.6112.8175-63.7-178.2000110L7 V17 A21 F28 E29 R31 L57L5-L7 HydrophobicContact CB-CD1 3.97Å; L5-L7 HydrophobicContact CB-CD2 4.31Å; L5-L7 HydrophobicContact CB-CG 3.92Å; L5-L7 HydrophobicContact CD1-CD1 4.44Å; L5-L7 PolarHBondContact O-N 3.12Å; L5-V17 HydrophobicContact CD1-CG1 4Å; L5-V17 HydrophobicContact CD2-CG1 4.26Å; L5-A21 HydrophobicContact CD1-CB 4.02Å; L5-F28 HydrophobicContact CB-CD2 3.91Å; L5-F28 HydrophobicContact CB-CE2 4.4Å; L5-F28 HydrophobicContact CD1-CB 4.03Å; L5-F28 HydrophobicContact CD1-CD1 3.99Å; L5-F28 HydrophobicContact CD1-CD2 3.59Å; L5-F28 HydrophobicContact CD1-CE1 4.36Å; L5-F28 HydrophobicContact CD1-CE2 3.96Å; L5-F28 HydrophobicContact CD1-CG 3.6Å; L5-F28 HydrophobicContact CD1-CZ 4.34Å; L5-F28 HydrophobicContact CG-CB 4.03Å; L5-F28 HydrophobicContact CG-CD2 3.87Å; L5-F28 HydrophobicContact CG-CG 4.03Å; L5-E29 PolarHBondContact N-O 2.79Å; L5-R31 PolarHBondContact O-N 3.14Å; L5-L57 HydrophobicContact CD2-CB 3.89Å; L5-L57 HydrophobicContact CD2-CD1 4.01Å; L5-L57 HydrophobicContact CD2-CG 3.95Å
6Y98.8Very high95.6Very high24 Ų2423.6 Ų23.69%0.09414%0.135CC..EExtended strand (participates in β ladder)trans-89.3103.2176.5-62.2-97.7000110.5E4 R31 V33 F45 I48 P55 V56 K58E4-Y6 HydrophobicContact CB-CE2 3.98Å; E4-Y6 PolarHBondContact OE2-OH 3.23Å; Y6-R31 CarbonylContact C-O 3.38Å; Y6-R31 VanDerWaalsContact CA-O 3.24Å; Y6-R31 WeakPolarHBondContact CA-O 3.24Å; Y6-R31 HydrophobicContact CD1-CB 3.34Å; Y6-R31 HydrophobicContact CD1-CG 3.95Å; Y6-R31 HydrophobicContact CD2-CB 4.4Å; Y6-R31 HydrophobicContact CE1-CB 3.56Å; Y6-R31 HydrophobicContact CE1-CG 3.64Å; Y6-R31 HydrophobicContact CE2-CG 4.34Å; Y6-R31 HydrophobicContact CG-CB 3.8Å; Y6-R31 HydrophobicContact CG-CG 4.41Å; Y6-V33 HydrophobicContact CD1-CG2 4.05Å; Y6-F45 HydrophobicContact CD1-CD2 4.44Å; Y6-F45 HydrophobicContact CD1-CE2 4.05Å; Y6-F45 HydrophobicContact CG-CE2 4.17Å; Y6-I48 HydrophobicContact CD1-CD1 4.21Å; Y6-I48 HydrophobicContact CD2-CG2 4.31Å; Y6-I48 HydrophobicContact CE1-CD1 3.5Å; Y6-I48 HydrophobicContact CE2-CD1 4.49Å; Y6-I48 HydrophobicContact CE2-CG2 4.09Å; Y6-P55 WeakPolarHBondContact O-CA 3.46Å; Y6-V56 HydrophobicContact CD2-CB 4.4Å; Y6-V56 PolarHBondContact N-O 3.02Å; Y6-V56 PolarHBondContact O-N 2.87Å; Y6-K58 HydrophobicContact CE2-CB 3.96Å; Y6-K58 HydrophobicContact CE2-CD 4.28Å
7L98.8Very high95.8Very high2 Ų222.2 Ų22.21%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-132159-166.5-55-177000112L5 V17 Y18 L30 R31 T32 V33 P55L5-L7 HydrophobicContact CB-CD1 3.97Å; L5-L7 HydrophobicContact CB-CD2 4.31Å; L5-L7 HydrophobicContact CB-CG 3.92Å; L5-L7 HydrophobicContact CD1-CD1 4.44Å; L5-L7 PolarHBondContact O-N 3.12Å; L7-V17 HydrophobicContact CD2-CB 4.42Å; L7-V17 HydrophobicContact CD2-CG1 4.24Å; L7-Y18 HydrophobicContact CD1-CD2 4.03Å; L7-L30 HydrophobicContact CB-CD1 3.96Å; L7-L30 HydrophobicContact CD1-CD1 3.79Å; L7-L30 HydrophobicContact CG-CD1 4.07Å; L7-R31 PolarHBondContact N-O 3.35Å; L7-T32 WeakPolarHBondContact O-CA 3.29Å; L7-V33 PolarHBondContact O-N 2.79Å; L7-P55 HydrophobicContact CD2-CB 3.27Å
8N98.4Very high96Very high9 Ų921.4 Ų21.45%0.04812%0.122CC..  trans-135.1122159.7-168.2-55.8000108.9L10 S11 S14 V33 D34 I35 V54N8-L10 PolarHBondContact O-N 2.81Å; N8-L10 VanDerWaalsContact O-N 3.1Å; N8-L10 WeakPolarHBondContact OD1-CB 3.23Å; N8-L10 PolarHBondContact OD1-N 3.39Å; N8-S11 VanDerWaalsContact O-CB 3.27Å; N8-S11 WeakPolarHBondContact O-CB 3.43Å; N8-S11 PolarHBondContact O-N 3.36Å; N8-S14 WeakPolarHBondContact O-CB 3.46Å; N8-V33 VanDerWaalsContact CB-O 3.27Å; N8-V33 WeakPolarHBondContact CB-O 3.42Å; N8-V33 PolarHBondContact ND2-O 3.44Å; N8-D34 WeakPolarHBondContact ND2-CA 3.45Å; N8-I35 HydrophobicContact CB-CG1 4.46Å; N8-I35 HydrophobicContact CB-CG2 3.93Å; N8-I35 PolarHBondContact ND2-N 3.09Å; N8-V54 HydrophobicContact CB-CG2 4.28Å
9L98.4Very high96.1Very high31 Ų3120.3 Ų20.316%0.16212%0.116CC..THydrogen-bonded Turntrans-70.2-5.7-176.9-59.2-177.6000113.9S11 R15 Y18 L212L9-S11 VanDerWaalsContact C-N 3.26Å; L9-R15 HydrophobicContact CB-CG 4.21Å; L9-R15 HydrophobicContact CD2-CG 4.15Å; L9-R15 WeakPolarHBondContact O-CD 3.49Å; L9-R15 WeakPolarHBondContact O-CG 3.46Å; L9-R15 PolarHBondContact O-NH1 2.74Å; L9-Y18 HydrophobicContact CD2-CD1 4.07Å; L9-Y18 HydrophobicContact CD2-CD2 4.18Å; L9-Y18 HydrophobicContact CD2-CG 3.75Å; L9-L212 HydrophobicContact CB-CB 4.4Å; L9-L212 HydrophobicContact CB-CD2 4.19Å
10L97.3Very high96.3Very high8 Ų819.3 Ų19.34%0.04211%0.11CC..THydrogen-bonded Turntrans-70.4-26.5165.7-17063.6000112N8 R15 I35 I36 Q175 L212 I213 I216N8-L10 PolarHBondContact O-N 2.81Å; N8-L10 VanDerWaalsContact O-N 3.1Å; N8-L10 WeakPolarHBondContact OD1-CB 3.23Å; N8-L10 PolarHBondContact OD1-N 3.39Å; L10-R15 PolarHBondContact O-NH1 2.98Å; L10-I35 HydrophobicContact CB-CD1 4.19Å; L10-I35 HydrophobicContact CD2-CD1 4.06Å; L10-I35 HydrophobicContact CD2-CG1 4.18Å; L10-I35 HydrophobicContact CG-CD1 4.34Å; L10-I36 HydrophobicContact CD2-CD1 3.71Å; L10-I36 HydrophobicContact CD2-CG1 3.85Å; L10-Q175 PolarHBondContact O-NE2 3.19Å; L10-Q175 VanDerWaalsContact O-NE2 3.15Å; L10-Q175 PolarHBondContact O-OE1 3.3Å; L10-L212 HydrophobicContact CB-CD2 4.2Å; L10-I213 HydrophobicContact CD1-CD1 3.68Å; L10-I216 HydrophobicContact CD1-CD1 3.76Å; L10-I216 HydrophobicContact CD1-CG1 4.09Å; L10-I216 HydrophobicContact CD2-CD1 4.49Å
11S98.5Very high96.4Very high10 Ų1018.4 Ų18.47%0.0711%0.105CC..SBendtrans-86.3124.3179.6-179.40000110.8N8 L9 P13 S14 R15N8-S11 VanDerWaalsContact O-CB 3.27Å; N8-S11 WeakPolarHBondContact O-CB 3.43Å; N8-S11 PolarHBondContact O-N 3.36Å; L9-S11 VanDerWaalsContact C-N 3.26Å; S11-P13 WeakPolarHBondContact OG-CD 3.24Å; S11-P13 WeakPolarHBondContact OG-CG 3.32Å; S11-S14 WeakPolarHBondContact O-CB 3.49Å; S11-S14 PolarHBondContact O-N 3Å; S11-S14 VanDerWaalsContact O-N 3.13Å; S11-R15 PolarHBondContact O-N 3.17Å
12Q98.7Very high98.2Very high14 Ų1413.8 Ų13.87%0.0658%0.08CC..Hα-helixtrans-55.1-52.7-179.8-44.597.9-49.800113.4S14 R15 A16 E171 E172 Q175Q12-S14 PolarHBondContact O-N 3.17Å; Q12-R15 PolarHBondContact O-N 3.02Å; Q12-R15 VanDerWaalsContact O-N 3.12Å; Q12-A16 PolarHBondContact O-N 3.45Å; Q12-A16 VanDerWaalsContact O-N 3.11Å; Q12-E171 WeakPolarHBondContact CB-O 3.46Å; Q12-E172 HydrophobicContact CB-CG 4.18Å; Q12-E172 PolarHBondContact NE2-OE2 3.23Å; Q12-Q175 HydrophobicContact CG-CB 3.84Å; Q12-Q175 HydrophobicContact CG-CG 4.09Å
13P98.8Very high98.7Very high9 Ų915 Ų156%0.0587%0.069CC..Hα-helixtrans-64-27.4178.524.6-35.9000113S11 V17 P55 S67S11-P13 WeakPolarHBondContact OG-CD 3.24Å; S11-P13 WeakPolarHBondContact OG-CG 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.3Å; P13-V17 PolarHBondContact O-N 2.71Å; P13-P55 HydrophobicContact CB-CG 4.35Å; P13-S67 VanDerWaalsContact CB-OG 3.25Å; P13-S67 WeakPolarHBondContact CB-OG 3.14Å
14S98.9Very high98.7Very high0 Ų016.8 Ų16.80%08%0.079CC..Hα-helixtrans-70.2-39.1174.3-64.80000112.2N8 S11 Q12 V17 Y18N8-S14 WeakPolarHBondContact O-CB 3.46Å; S11-S14 WeakPolarHBondContact O-CB 3.49Å; S11-S14 PolarHBondContact O-N 3Å; S11-S14 VanDerWaalsContact O-N 3.13Å; Q12-S14 PolarHBondContact O-N 3.17Å; S14-V17 PolarHBondContact O-N 2.74Å; S14-Y18 WeakPolarHBondContact O-CB 3.3Å; S14-Y18 PolarHBondContact O-N 3.23Å
15R98.9Very high98.7Very high0 Ų018.9 Ų18.90%011%0.106CC..Hα-helixtrans-63.5-40.9173.6-66.9-167.8-63-90.23.8112L9 L10 S11 Q12 V17 Y18 I19 E171 Q175 A209L9-R15 HydrophobicContact CB-CG 4.21Å; L9-R15 HydrophobicContact CD2-CG 4.15Å; L9-R15 WeakPolarHBondContact O-CD 3.49Å; L9-R15 WeakPolarHBondContact O-CG 3.46Å; L9-R15 PolarHBondContact O-NH1 2.74Å; L10-R15 PolarHBondContact O-NH1 2.98Å; S11-R15 PolarHBondContact O-N 3.17Å; Q12-R15 PolarHBondContact O-N 3.02Å; Q12-R15 VanDerWaalsContact O-N 3.12Å; R15-V17 PolarHBondContact O-N 2.82Å; R15-Y18 WeakPolarHBondContact O-CB 3.49Å; R15-Y18 PolarHBondContact O-N 2.87Å; R15-I19 WeakPolarHBondContact O-CB 3.28Å; R15-I19 WeakPolarHBondContact O-CG1 3.4Å; R15-I19 PolarHBondContact O-N 3.43Å; R15-E171 HydrophobicContact CB-CB 4.49Å; R15-E171 HydrophobicContact CB-CG 4.08Å; R15-E171 WeakPolarHBondContact CB-OE2 3.23Å; R15-E171 WeakPolarHBondContact CD-OE2 3.33Å; R15-E171 IonicContact CZ-OE2 3.82Å; R15-E171 IonicContact NE-OE2 3.63Å; R15-E171 PolarHBondContact NE-OE2 3.35Å; R15-E171 PolarHBondContact NH2-O 3.14Å; R15-Q175 VanDerWaalsContact NH1-OE1 3.11Å; R15-A209 WeakPolarHBondContact CD-O 3.37Å
16A98.9Very high98.7Very high0 Ų019.3 Ų19.30%011%0.109CC..Hα-helixtrans-58.6-47.7177.200000111.4Q12 F20 L71 L167 M168 E171Q12-A16 PolarHBondContact O-N 3.45Å; Q12-A16 VanDerWaalsContact O-N 3.11Å; A16-F20 WeakPolarHBondContact O-CB 3.43Å; A16-F20 PolarHBondContact O-N 2.84Å; A16-L71 HydrophobicContact CB-CD1 4.47Å; A16-L167 HydrophobicContact CB-CG 4.17Å; A16-L167 VanDerWaalsContact O-CD2 3.26Å; A16-L167 WeakPolarHBondContact O-CD2 3.44Å; A16-M168 HydrophobicContact CB-SD 3.87Å; A16-E171 HydrophobicContact CB-CB 4.3Å; A16-E171 HydrophobicContact CB-CG 4.01Å
17V98.9Very high98.7Very high0 Ų022.7 Ų22.70%013%0.133CC..Hα-helixtrans-62.4-43.7175.3172.70000111.8L5 L7 P13 S14 R15 F20 A21 P55 I70 L71 L74L5-V17 HydrophobicContact CD1-CG1 4Å; L5-V17 HydrophobicContact CD2-CG1 4.26Å; L7-V17 HydrophobicContact CD2-CB 4.42Å; L7-V17 HydrophobicContact CD2-CG1 4.24Å; P13-V17 WeakPolarHBondContact O-CG2 3.3Å; P13-V17 PolarHBondContact O-N 2.71Å; S14-V17 PolarHBondContact O-N 2.74Å; R15-V17 PolarHBondContact O-N 2.82Å; V17-F20 PolarHBondContact O-N 3.06Å; V17-A21 WeakPolarHBondContact O-CB 3.44Å; V17-A21 PolarHBondContact O-N 3.4Å; V17-P55 HydrophobicContact CG2-CB 4.33Å; V17-P55 HydrophobicContact CG2-CG 4Å; V17-I70 HydrophobicContact CB-CG2 4.45Å; V17-I70 HydrophobicContact CG1-CG2 3.69Å; V17-I70 HydrophobicContact CG2-CB 4.24Å; V17-I70 HydrophobicContact CG2-CG2 3.81Å; V17-L71 HydrophobicContact CG2-CD2 4.31Å; V17-L71 HydrophobicContact CG2-CG 4.15Å; V17-L74 HydrophobicContact CG1-CD1 4.36Å
18Y98.9Very high98.7Very high9 Ų924.6 Ų24.64%0.03514%0.141CC..Hα-helixtrans-58.6-52.4179.2-175.1-103.8000112.3L7 L9 S14 R15 F20 A21 K22 F28 L30 L205 E208 A209L7-Y18 HydrophobicContact CD1-CD2 4.03Å; L9-Y18 HydrophobicContact CD2-CD1 4.07Å; L9-Y18 HydrophobicContact CD2-CD2 4.18Å; L9-Y18 HydrophobicContact CD2-CG 3.75Å; S14-Y18 WeakPolarHBondContact O-CB 3.3Å; S14-Y18 PolarHBondContact O-N 3.23Å; R15-Y18 WeakPolarHBondContact O-CB 3.49Å; R15-Y18 PolarHBondContact O-N 2.87Å; Y18-F20 VanDerWaalsContact C-N 3.34Å; Y18-F20 PolarHBondContact O-N 3.43Å; Y18-A21 PolarHBondContact O-N 2.89Å; Y18-K22 HydrophobicContact CD1-CG 4.34Å; Y18-K22 HydrophobicContact CE1-CG 3.97Å; Y18-K22 HydrophobicContact CE2-CG 4.21Å; Y18-K22 WeakPolarHBondContact O-CB 3.17Å; Y18-K22 WeakPolarHBondContact O-CG 3.34Å; Y18-K22 PolarHBondContact O-N 3.15Å; Y18-K22 WeakPolarHBondContact OH-CE 3.46Å; Y18-K22 PolarHBondContact OH-NZ 2.59Å; Y18-F28 HydrophobicContact CD2-CE2 4.27Å; Y18-F28 AromaticContact CD2-CZ 3.84Å; Y18-F28 HydrophobicContact CD2-CZ 3.84Å; Y18-F28 HydrophobicContact CE2-CE2 4.23Å; Y18-F28 AromaticContact CE2-CZ 3.76Å; Y18-F28 HydrophobicContact CE2-CZ 3.76Å; Y18-L30 HydrophobicContact CD2-CD1 4.37Å; Y18-L30 HydrophobicContact CE2-CD1 4.42Å; Y18-L30 HydrophobicContact CE2-CD2 4.11Å; Y18-L205 HydrophobicContact CE1-CD1 4.4Å; Y18-E208 HydrophobicContact CE1-CG 4.29Å; Y18-E208 PolarHBondContact OH-OE1 2.79Å; Y18-A209 HydrophobicContact CD1-CB 4.25Å
19I98.9Very high98.7Very high0 Ų028.6 Ų28.60%016%0.16CC..Hα-helixtrans-61.1-45.5-179.9-69.7167.2000110R15 A21 K22 K23 L167 E171 L201 L205 A209R15-I19 WeakPolarHBondContact O-CB 3.28Å; R15-I19 WeakPolarHBondContact O-CG1 3.4Å; R15-I19 PolarHBondContact O-N 3.43Å; I19-A21 PolarHBondContact O-N 3.32Å; I19-K22 PolarHBondContact O-N 3.04Å; I19-K23 WeakPolarHBondContact O-CB 3.42Å; I19-K23 PolarHBondContact O-N 3.42Å; I19-L167 HydrophobicContact CB-CD1 3.95Å; I19-L167 HydrophobicContact CD1-CD1 4.18Å; I19-L167 HydrophobicContact CG2-CD1 3.57Å; I19-L167 HydrophobicContact CG2-CD2 4.41Å; I19-E171 VanDerWaalsContact CD1-CD 3.49Å; I19-E171 HydrophobicContact CD1-CG 4.17Å; I19-E171 WeakPolarHBondContact CD1-OE1 3.46Å; I19-L201 HydrophobicContact CG2-CD1 3.99Å; I19-L201 HydrophobicContact CG2-CD2 3.59Å; I19-L201 HydrophobicContact CG2-CG 4.34Å; I19-L205 HydrophobicContact CG1-CG 4.47Å; I19-L205 HydrophobicContact CG2-CD2 3.96Å; I19-L205 HydrophobicContact CG2-CG 4.4Å; I19-A209 HydrophobicContact CD1-CB 3.64Å; I19-A209 HydrophobicContact CG1-CB 3.52Å
20F98.9Very high98.7Very high0 Ų030.4 Ų30.40%017%0.169CC..Hα-helixtrans-59.1-48.7179.2-177.3-98.5000112A16 V17 Y18 N24 I26 L71 L74 T80 W84 L164 L167A16-F20 WeakPolarHBondContact O-CB 3.43Å; A16-F20 PolarHBondContact O-N 2.84Å; V17-F20 PolarHBondContact O-N 3.06Å; Y18-F20 VanDerWaalsContact C-N 3.34Å; Y18-F20 PolarHBondContact O-N 3.43Å; F20-N24 WeakPolarHBondContact CD2-ND2 3.37Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.33Å; F20-N24 WeakPolarHBondContact O-CB 3.46Å; F20-N24 PolarHBondContact O-N 2.83Å; F20-N24 VanDerWaalsContact O-N 3.14Å; F20-N24 PolarHBondContact O-ND2 3.5Å; F20-I26 HydrophobicContact CD1-CD1 4.33Å; F20-I26 HydrophobicContact CE1-CD1 3.99Å; F20-L71 HydrophobicContact CB-CD2 3.23Å; F20-L71 HydrophobicContact CD1-CD2 3.78Å; F20-L71 HydrophobicContact CD2-CD2 4.08Å; F20-L71 HydrophobicContact CG-CD2 3.42Å; F20-L71 VanDerWaalsContact CG-CD2 3.42Å; F20-L74 HydrophobicContact CD1-CB 4.09Å; F20-L74 HydrophobicContact CD1-CD1 4.28Å; F20-L74 HydrophobicContact CE1-CB 3.7Å; F20-T80 HydrophobicContact CE1-CG2 4.17Å; F20-T80 HydrophobicContact CZ-CG2 3.83Å; F20-W84 HydrophobicContact CD2-CD2 4.1Å; F20-W84 HydrophobicContact CD2-CE3 4.16Å; F20-W84 HydrophobicContact CD2-CG 4.5Å; F20-W84 HydrophobicContact CD2-CZ3 4.46Å; F20-W84 HydrophobicContact CE2-CB 3.95Å; F20-W84 AromaticContact CE2-CD2 3.74Å; F20-W84 HydrophobicContact CE2-CD2 3.74Å; F20-W84 HydrophobicContact CE2-CE3 4.13Å; F20-W84 AromaticContact CE2-CG 3.67Å; F20-W84 HydrophobicContact CE2-CG 3.67Å; F20-L164 HydrophobicContact CD2-CD2 3.57Å; F20-L164 HydrophobicContact CE2-CD2 3.48Å; F20-L164 VanDerWaalsContact CE2-CD2 3.48Å; F20-L164 HydrophobicContact CG-CD2 4.4Å; F20-L164 HydrophobicContact CZ-CD2 4.25Å; F20-L167 HydrophobicContact CB-CD2 3.68Å; F20-L167 HydrophobicContact CD2-CD2 4.32Å; F20-L167 HydrophobicContact CG-CD2 4.49Å
21A98.9Very high98.7Very high0 Ų034.3 Ų34.30%018%0.184CC..Hα-helixtrans-63-47.8-179.200000111.4L5 V17 Y18 I19 N24 G25 I26 F28L5-A21 HydrophobicContact CD1-CB 4.02Å; V17-A21 WeakPolarHBondContact O-CB 3.44Å; V17-A21 PolarHBondContact O-N 3.4Å; Y18-A21 PolarHBondContact O-N 2.89Å; I19-A21 PolarHBondContact O-N 3.32Å; A21-N24 PolarHBondContact O-N 3.36Å; A21-G25 PolarHBondContact O-N 3.01Å; A21-I26 HydrophobicContact CB-CB 4.26Å; A21-I26 WeakPolarHBondContact O-CB 3.32Å; A21-I26 PolarHBondContact O-N 3.37Å; A21-F28 HydrophobicContact CB-CD1 3.74Å; A21-F28 HydrophobicContact CB-CE1 3.58Å; A21-F28 HydrophobicContact CB-CZ 4.43Å
22K98.8Very high98.7Very high92 Ų9238.5 Ų38.540%0.421%0.209SC..Hα-helixtrans-62.8-48177.5-76.6-74.6-171.1143.50112.6Y18 I19 N24 G25 F28 L205 E208Y18-K22 HydrophobicContact CD1-CG 4.34Å; Y18-K22 HydrophobicContact CE1-CG 3.97Å; Y18-K22 HydrophobicContact CE2-CG 4.21Å; Y18-K22 WeakPolarHBondContact O-CB 3.17Å; Y18-K22 WeakPolarHBondContact O-CG 3.34Å; Y18-K22 PolarHBondContact O-N 3.15Å; Y18-K22 WeakPolarHBondContact OH-CE 3.46Å; Y18-K22 PolarHBondContact OH-NZ 2.59Å; I19-K22 PolarHBondContact O-N 3.04Å; K22-N24 PolarHBondContact O-N 3.49Å; K22-G25 PolarHBondContact O-N 3.49Å; K22-F28 HydrophobicContact CD-CE1 4.32Å; K22-F28 HydrophobicContact CD-CZ 4.44Å; K22-F28 HydrophobicContact CG-CE1 4.17Å; K22-F28 HydrophobicContact CG-CZ 4.23Å; K22-L205 HydrophobicContact CB-CD1 3.63Å; K22-L205 HydrophobicContact CB-CD2 4.25Å; K22-L205 HydrophobicContact CG-CD1 4.15Å; K22-E208 IonicContact NZ-OE1 3.67Å
23K98.8Very high98.7Very high79 Ų7938.2 Ų38.234%0.34321%0.208SC..Hα-helixtrans-62.2-32.9-177.1-176.255.8174.8-171.50112.6I19 W84 F200 L201 L205I19-K23 WeakPolarHBondContact O-CB 3.42Å; I19-K23 PolarHBondContact O-N 3.42Å; K23-W84 HydrophobicContact CG-CZ2 3.94Å; K23-F200 WeakPolarHBondContact CE-O 3.31Å; K23-F200 HydrophobicContact CG-CE1 4.36Å; K23-F200 PolarHBondContact NZ-O 3.27Å; K23-L201 HydrophobicContact CG-CD2 4.33Å; K23-L201 PolarHBondContact NZ-O 2.91Å; K23-L205 HydrophobicContact CB-CD2 3.8Å; K23-L205 HydrophobicContact CD-CD2 4.32Å
24N98.8Very high98.6Very high45 Ų4539.3 Ų39.324%0.24121%0.214CC..THydrogen-bonded Turntrans-94.79.2178.3-67.8-78.7000113.3F20 A21 K22 I26 T80 W84F20-N24 WeakPolarHBondContact CD2-ND2 3.37Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.33Å; F20-N24 WeakPolarHBondContact O-CB 3.46Å; F20-N24 PolarHBondContact O-N 2.83Å; F20-N24 VanDerWaalsContact O-N 3.14Å; F20-N24 PolarHBondContact O-ND2 3.5Å; A21-N24 PolarHBondContact O-N 3.36Å; K22-N24 PolarHBondContact O-N 3.49Å; N24-I26 HydrophobicContact CB-CD1 4.3Å; N24-I26 HydrophobicContact CB-CG1 4.11Å; N24-I26 PolarHBondContact O-N 3.13Å; N24-T80 HydrophobicContact CB-CG2 3.75Å; N24-W84 PolarHBondContact ND2-NE1 3.36Å; N24-W84 PolarHBondContact OD1-NE1 3.33Å
25G98.4Very high98.4Very high64 Ų6441.2 Ų41.266%0.6622%0.223SC*.THydrogen-bonded Turntrans62.725.8177.900000114.1A21 K22 P27A21-G25 PolarHBondContact O-N 3.01Å; K22-G25 PolarHBondContact O-N 3.49Å; G25-P27 WeakPolarHBondContact O-CD 3.31Å
26I98.6Very high98.2Very high10 Ų1041.9 Ų41.95%0.05123%0.227CC..  trans-71.9123.8179.9-63.2179.3000108.4L3 F20 A21 N24 F28 L74 Y78 T80L3-I26 HydrophobicContact CD2-CG2 3.92Å; F20-I26 HydrophobicContact CD1-CD1 4.33Å; F20-I26 HydrophobicContact CE1-CD1 3.99Å; A21-I26 HydrophobicContact CB-CB 4.26Å; A21-I26 WeakPolarHBondContact O-CB 3.32Å; A21-I26 PolarHBondContact O-N 3.37Å; N24-I26 HydrophobicContact CB-CD1 4.3Å; N24-I26 HydrophobicContact CB-CG1 4.11Å; N24-I26 PolarHBondContact O-N 3.13Å; I26-F28 VanDerWaalsContact O-CD1 3.3Å; I26-F28 WeakPolarHBondContact O-CD1 3.42Å; I26-F28 PolarHBondContact O-N 3.09Å; I26-L74 HydrophobicContact CD1-CB 4.05Å; I26-L74 HydrophobicContact CD1-CD2 4.5Å; I26-L74 HydrophobicContact CG2-CD2 4.46Å; I26-Y78 HydrophobicContact CD1-CD2 3.85Å; I26-Y78 HydrophobicContact CD1-CG 3.95Å; I26-Y78 HydrophobicContact CG1-CD1 4.24Å; I26-Y78 HydrophobicContact CG1-CD2 4.19Å; I26-Y78 HydrophobicContact CG1-CG 3.9Å; I26-Y78 HydrophobicContact CG2-CD1 4.06Å; I26-Y78 HydrophobicContact CG2-CD2 3.85Å; I26-Y78 HydrophobicContact CG2-CE1 3.79Å; I26-Y78 HydrophobicContact CG2-CE2 3.59Å; I26-Y78 HydrophobicContact CG2-CG 4.08Å; I26-T80 HydrophobicContact CD1-CG2 4.13Å
27P98.2Very high98Very high94 Ų9447.2 Ų47.261%0.6125%0.25SC*.  trans-74.3124.2176.529.4-33000110.1G25 Y78G25-P27 WeakPolarHBondContact O-CD 3.31Å; P27-Y78 HydrophobicContact CG-CE1 4.42Å
28F98.6Very high97.8Very high42 Ų4247.6 Ų47.618%0.18425%0.254CS..  trans-146153.4174.368.1-87000111.4L3 L5 Y18 A21 K22 I26 L30L3-F28 HydrophobicContact CB-CB 4.37Å; L3-F28 HydrophobicContact CD2-CB 3.98Å; L3-F28 HydrophobicContact CG-CB 4.25Å; L3-F28 CarbonylContact O-C 3.58Å; L3-F28 VanDerWaalsContact O-CA 3.26Å; L3-F28 WeakPolarHBondContact O-CA 3.34Å; L5-F28 HydrophobicContact CB-CD2 3.91Å; L5-F28 HydrophobicContact CB-CE2 4.4Å; L5-F28 HydrophobicContact CD1-CB 4.03Å; L5-F28 HydrophobicContact CD1-CD1 3.99Å; L5-F28 HydrophobicContact CD1-CD2 3.59Å; L5-F28 HydrophobicContact CD1-CE1 4.36Å; L5-F28 HydrophobicContact CD1-CE2 3.96Å; L5-F28 HydrophobicContact CD1-CG 3.6Å; L5-F28 HydrophobicContact CD1-CZ 4.34Å; L5-F28 HydrophobicContact CG-CB 4.03Å; L5-F28 HydrophobicContact CG-CD2 3.87Å; L5-F28 HydrophobicContact CG-CG 4.03Å; Y18-F28 HydrophobicContact CD2-CE2 4.27Å; Y18-F28 AromaticContact CD2-CZ 3.84Å; Y18-F28 HydrophobicContact CD2-CZ 3.84Å; Y18-F28 HydrophobicContact CE2-CE2 4.23Å; Y18-F28 AromaticContact CE2-CZ 3.76Å; Y18-F28 HydrophobicContact CE2-CZ 3.76Å; A21-F28 HydrophobicContact CB-CD1 3.74Å; A21-F28 HydrophobicContact CB-CE1 3.58Å; A21-F28 HydrophobicContact CB-CZ 4.43Å; K22-F28 HydrophobicContact CD-CE1 4.32Å; K22-F28 HydrophobicContact CD-CZ 4.44Å; K22-F28 HydrophobicContact CG-CE1 4.17Å; K22-F28 HydrophobicContact CG-CZ 4.23Å; I26-F28 VanDerWaalsContact O-CD1 3.3Å; I26-F28 WeakPolarHBondContact O-CD1 3.42Å; I26-F28 PolarHBondContact O-N 3.09Å; F28-L30 HydrophobicContact CD2-CB 4.31Å; F28-L30 HydrophobicContact CE2-CB 3.85Å; F28-L30 HydrophobicContact CE2-CD1 4.13Å
29E98.6Very high97.7Very high93 Ų9351.2 Ų51.244%0.43527%0.271SS..EExtended strand (participates in β ladder)trans-87.9119.2165.3-174.7175.3-17400109.2L3 E4 L5 R31L3-E29 PolarHBondContact O-N 3.04Å; E4-E29 WeakPolarHBondContact CA-O 3.46Å; E4-E29 HydrophobicContact CG-CB 4.35Å; L5-E29 PolarHBondContact N-O 2.79Å; E29-R31 PolarHBondContact O-N 3.31Å; E29-R31 IonicContact OE1-CZ 2.83Å; E29-R31 IonicContact OE1-NE 3.58Å; E29-R31 IonicContact OE1-NH1 2.78Å; E29-R31 PolarHBondContact OE1-NH1 3.33Å; E29-R31 IonicContact OE1-NH2 2.93Å; E29-R31 PolarHBondContact OE1-NH2 3.17Å; E29-R31 IonicContact OE2-CZ 2.79Å; E29-R31 IonicContact OE2-NH2 3.3Å; E29-R31 PolarHBondContact OE2-NH2 3.28Å
30L98.4Very high97.5Very high69 Ų6952 Ų5236%0.36128%0.275SS..EExtended strand (participates in β ladder)trans-77.3116.8174.8-178.962.8000110L7 Y18 F28L7-L30 HydrophobicContact CB-CD1 3.96Å; L7-L30 HydrophobicContact CD1-CD1 3.79Å; L7-L30 HydrophobicContact CG-CD1 4.07Å; Y18-L30 HydrophobicContact CD2-CD1 4.37Å; Y18-L30 HydrophobicContact CE2-CD1 4.42Å; Y18-L30 HydrophobicContact CE2-CD2 4.11Å; F28-L30 HydrophobicContact CD2-CB 4.31Å; F28-L30 HydrophobicContact CE2-CB 3.85Å; F28-L30 HydrophobicContact CE2-CD1 4.13Å
31R98.4Very high97.3Very high91 Ų9155 Ų5534%0.34329%0.286SS..EExtended strand (participates in β ladder)trans-103.795.6171.8-65-71.6-162.5-146.6-13.9109.1E4 L5 Y6 L7 E29 V33E4-R31 HydrophobicContact CB-CG 4.32Å; E4-R31 IonicContact OE2-CZ 2.67Å; E4-R31 VanDerWaalsContact OE2-CZ 3.3Å; E4-R31 IonicContact OE2-NE 3.38Å; E4-R31 PolarHBondContact OE2-NE 3.45Å; E4-R31 IonicContact OE2-NH2 2.98Å; E4-R31 PolarHBondContact OE2-NH2 3.03Å; L5-R31 PolarHBondContact O-N 3.14Å; Y6-R31 CarbonylContact C-O 3.38Å; Y6-R31 VanDerWaalsContact CA-O 3.24Å; Y6-R31 WeakPolarHBondContact CA-O 3.24Å; Y6-R31 HydrophobicContact CD1-CB 3.34Å; Y6-R31 HydrophobicContact CD1-CG 3.95Å; Y6-R31 HydrophobicContact CD2-CB 4.4Å; Y6-R31 HydrophobicContact CE1-CB 3.56Å; Y6-R31 HydrophobicContact CE1-CG 3.64Å; Y6-R31 HydrophobicContact CE2-CG 4.34Å; Y6-R31 HydrophobicContact CG-CB 3.8Å; Y6-R31 HydrophobicContact CG-CG 4.41Å; L7-R31 PolarHBondContact N-O 3.35Å; E29-R31 PolarHBondContact O-N 3.31Å; E29-R31 IonicContact OE1-CZ 2.83Å; E29-R31 IonicContact OE1-NE 3.58Å; E29-R31 IonicContact OE1-NH1 2.78Å; E29-R31 PolarHBondContact OE1-NH1 3.33Å; E29-R31 IonicContact OE1-NH2 2.93Å; E29-R31 PolarHBondContact OE1-NH2 3.17Å; E29-R31 IonicContact OE2-CZ 2.79Å; E29-R31 IonicContact OE2-NH2 3.3Å; E29-R31 PolarHBondContact OE2-NH2 3.28Å; R31-V33 PolarHBondContact O-N 2.93Å
32T98.3Very high97.2Very high98 Ų9856.8 Ų56.860%0.60130%0.298SS*.EExtended strand (participates in β ladder)trans-67.9128.4178.2-58.50000111L7L7-T32 WeakPolarHBondContact O-CA 3.29Å
33V98.1Very high97Very high7 Ų760.7 Ų60.74%0.04232%0.315CS..  trans-118.9100.3176-178.60000108.8Y6 L7 N8 R31 I35 Q39 H40 F45 V54Y6-V33 HydrophobicContact CD1-CG2 4.05Å; L7-V33 PolarHBondContact O-N 2.79Å; N8-V33 VanDerWaalsContact CB-O 3.27Å; N8-V33 WeakPolarHBondContact CB-O 3.42Å; N8-V33 PolarHBondContact ND2-O 3.44Å; R31-V33 PolarHBondContact O-N 2.93Å; V33-I35 PolarHBondContact O-N 3.34Å; V33-I35 VanDerWaalsContact O-N 3.08Å; V33-Q39 HydrophobicContact CG1-CB 3.9Å; V33-H40 HydrophobicContact CG1-CB 3.83Å; V33-F45 HydrophobicContact CG1-CD2 4.2Å; V33-F45 HydrophobicContact CG1-CE2 4.2Å; V33-F45 HydrophobicContact CG2-CD2 3.98Å; V33-F45 HydrophobicContact CG2-CE2 3.66Å; V33-F45 HydrophobicContact CG2-CZ 4.47Å; V33-V54 HydrophobicContact CB-CG1 3.91Å; V33-V54 HydrophobicContact CG1-CG1 4.05Å; V33-V54 HydrophobicContact CG2-CG1 4.31Å
34D96.8Very high96.8Very high33 Ų3363.2 Ų63.218%0.17633%0.328CS..  trans-65.7106.9180-167.4-32000111.2N8 I36 K37 G38 Q39N8-D34 WeakPolarHBondContact ND2-CA 3.45Å; D34-I36 PolarHBondContact OD1-N 3.26Å; D34-K37 HydrophobicContact CB-CB 3.96Å; D34-K37 HydrophobicContact CB-CD 4.3Å; D34-K37 HydrophobicContact CB-CG 4.32Å; D34-K37 PolarHBondContact OD1-N 3.1Å; D34-K37 WeakPolarHBondContact OD2-CD 3.26Å; D34-K37 VanDerWaalsContact OD2-CE 3.28Å; D34-K37 WeakPolarHBondContact OD2-CE 3.27Å; D34-K37 VanDerWaalsContact OD2-CG 3.29Å; D34-K37 WeakPolarHBondContact OD2-CG 3.1Å; D34-K37 IonicContact OD2-NZ 3.47Å; D34-G38 PolarHBondContact O-N 2.9Å; D34-Q39 HydrophobicContact CB-CG 4.1Å; D34-Q39 WeakPolarHBondContact O-CB 3.43Å; D34-Q39 PolarHBondContact O-N 3.06Å
35I95.5Very high96.7Very high40 Ų4061.5 Ų61.521%0.20532%0.319CS..THydrogen-bonded Turntrans-77.2-27.8-176.763.4179.5000112.5N8 L10 V33 G38 H40 V54N8-I35 HydrophobicContact CB-CG1 4.46Å; N8-I35 HydrophobicContact CB-CG2 3.93Å; N8-I35 PolarHBondContact ND2-N 3.09Å; L10-I35 HydrophobicContact CB-CD1 4.19Å; L10-I35 HydrophobicContact CD2-CD1 4.06Å; L10-I35 HydrophobicContact CD2-CG1 4.18Å; L10-I35 HydrophobicContact CG-CD1 4.34Å; V33-I35 PolarHBondContact O-N 3.34Å; V33-I35 VanDerWaalsContact O-N 3.08Å; I35-G38 PolarHBondContact O-N 3.33Å; I35-H40 PolarHBondContact O-CE1 3.39Å; I35-H40 PolarHBondContact O-ND1 2.7Å; I35-V54 HydrophobicContact CG2-CG2 3.82Å
36I93.8Very high96.6Very high14 Ų1463.1 Ų63.17%0.07231%0.308CS..THydrogen-bonded Turntrans-73.8-43.3176.6-56.5-178.6000108.9L10 D34 G38 L119 L122 L225 P226 P228L10-I36 HydrophobicContact CD2-CD1 3.71Å; L10-I36 HydrophobicContact CD2-CG1 3.85Å; D34-I36 PolarHBondContact OD1-N 3.26Å; I36-G38 PolarHBondContact O-N 3.03Å; I36-L119 HydrophobicContact CD1-CD2 4.44Å; I36-L119 HydrophobicContact CG1-CD2 4.42Å; I36-L122 HydrophobicContact CG2-CD2 3.72Å; I36-L225 HydrophobicContact CD1-CD2 4.06Å; I36-P226 HydrophobicContact CB-CG 3.95Å; I36-P226 HydrophobicContact CG2-CG 3.7Å; I36-P226 VanDerWaalsContact CG2-O 3.27Å; I36-P226 WeakPolarHBondContact CG2-O 3.18Å; I36-P228 HydrophobicContact CG2-CG 4.09Å; I36-P228 VanDerWaalsContact O-CA 3.3Å; I36-P228 WeakPolarHBondContact O-CA 3.41Å; I36-P228 WeakPolarHBondContact O-CB 3.48Å
37K95.3Very high96.5Very high111 Ų11169.8 Ų69.848%0.48334%0.339SS..THydrogen-bonded Turntrans-73.21.4173.2-65.7-177.7-170.8170.20114.3D34 Q39 P226 P229D34-K37 HydrophobicContact CB-CB 3.96Å; D34-K37 HydrophobicContact CB-CD 4.3Å; D34-K37 HydrophobicContact CB-CG 4.32Å; D34-K37 PolarHBondContact OD1-N 3.1Å; D34-K37 WeakPolarHBondContact OD2-CD 3.26Å; D34-K37 VanDerWaalsContact OD2-CE 3.28Å; D34-K37 WeakPolarHBondContact OD2-CE 3.27Å; D34-K37 VanDerWaalsContact OD2-CG 3.29Å; D34-K37 WeakPolarHBondContact OD2-CG 3.1Å; D34-K37 IonicContact OD2-NZ 3.47Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 3.49Å; K37-P226 HydrophobicContact CD-CB 4.29Å; K37-P226 HydrophobicContact CD-CG 4.45Å; K37-P226 HydrophobicContact CG-CB 3.61Å; K37-P226 HydrophobicContact CG-CG 3.67Å; K37-P229 WeakPolarHBondContact O-CD 3.45Å; K37-P229 WeakPolarHBondContact O-CG 3.49Å
38G94.8Very high96.4Very high8 Ų867.1 Ų67.18%0.08232%0.319CS..THydrogen-bonded Turntrans73.517174.800000116.5D34 I35 I36 H40 R41D34-G38 PolarHBondContact O-N 2.9Å; I35-G38 PolarHBondContact O-N 3.33Å; I36-G38 PolarHBondContact O-N 3.03Å; G38-H40 PolarHBondContact O-N 3.08Å; G38-H40 VanDerWaalsContact O-N 3.16Å; G38-R41 WeakPolarHBondContact O-CA 3.48Å; G38-R41 WeakPolarHBondContact O-CB 3.39Å; G38-R41 PolarHBondContact O-N 3.2Å
39Q96.8Very high96.3Very high85 Ų8565.6 Ų65.640%0.39731%0.313SS..G310 helixtrans-59.6-31.5-180-67.6-178.2-15.800112.1V33 D34 K37 R41 S42 F45V33-Q39 HydrophobicContact CG1-CB 3.9Å; D34-Q39 HydrophobicContact CB-CG 4.1Å; D34-Q39 WeakPolarHBondContact O-CB 3.43Å; D34-Q39 PolarHBondContact O-N 3.06Å; K37-Q39 VanDerWaalsContact C-N 3.34Å; K37-Q39 PolarHBondContact O-N 3.49Å; Q39-R41 PolarHBondContact O-N 3.02Å; Q39-R41 VanDerWaalsContact O-N 3.1Å; Q39-S42 WeakPolarHBondContact O-CB 3.08Å; Q39-S42 PolarHBondContact O-N 3.41Å; Q39-S42 VanDerWaalsContact O-N 3.08Å; Q39-S42 PolarHBondContact O-OG 2.85Å; Q39-F45 VanDerWaalsContact O-CB 3.31Å; Q39-F45 WeakPolarHBondContact O-CB 3.34Å
40H95.9Very high96.3Very high18 Ų1865 Ų658%0.08332%0.319CS..G310 helixtrans-62.7-12.6172.368.7-68.5000114.3V33 I35 G38 F45 Q52V33-H40 HydrophobicContact CG1-CB 3.83Å; I35-H40 PolarHBondContact O-CE1 3.39Å; I35-H40 PolarHBondContact O-ND1 2.7Å; G38-H40 PolarHBondContact O-N 3.08Å; G38-H40 VanDerWaalsContact O-N 3.16Å; H40-F45 HydrophobicContact CB-CD1 4.2Å; H40-F45 HydrophobicContact CB-CE1 4.22Å; H40-F45 WeakPolarHBondContact O-CD1 3.42Å; H40-Q52 PolarHBondContact CD2-O 3.22Å; H40-Q52 WeakPolarHBondContact O-CA 3.44Å; H40-Q52 WeakPolarHBondContact O-CB 3.5Å; H40-Q52 WeakPolarHBondContact O-CG 3.28Å
41R94.6Very high96.2Very high63 Ų6366.2 Ų66.224%0.23833%0.325CS..G310 helixtrans-103.5-2.9176.7-58.2-61174.2179.8-2.7113.5G38 Q39 Q52 V232 T235G38-R41 WeakPolarHBondContact O-CA 3.48Å; G38-R41 WeakPolarHBondContact O-CB 3.39Å; G38-R41 PolarHBondContact O-N 3.2Å; Q39-R41 PolarHBondContact O-N 3.02Å; Q39-R41 VanDerWaalsContact O-N 3.1Å; R41-Q52 PolarHBondContact O-NE2 2.87Å; R41-V232 HydrophobicContact CG-CG2 4.13Å; R41-T235 VanDerWaalsContact NH2-CG2 3.27Å
42S94.9Very high96.1Very high37 Ų3763.8 Ų63.826%0.25932%0.318SS..SBendtrans-65.7158.6-178.895.70000111.3Q39 E44 F45 F46Q39-S42 WeakPolarHBondContact O-CB 3.08Å; Q39-S42 PolarHBondContact O-N 3.41Å; Q39-S42 VanDerWaalsContact O-N 3.08Å; Q39-S42 PolarHBondContact O-OG 2.85Å; S42-E44 WeakPolarHBondContact CB-OE2 3.49Å; S42-E44 PolarHBondContact O-N 2.82Å; S42-E44 PolarHBondContact OG-N 2.87Å; S42-E44 PolarHBondContact OG-OE2 2.87Å; S42-F45 PolarHBondContact O-N 3.28Å; S42-F45 PolarHBondContact OG-N 2.89Å; S42-F45 VanDerWaalsContact OG-N 3.1Å; S42-F46 WeakPolarHBondContact O-CB 3.4Å; S42-F46 PolarHBondContact O-N 2.91Å
43K95.1Very high96Very high173 Ų17365 Ų6575%0.75232%0.315SS*.Hα-helixtrans-62.9-36.9176.8-69.6-178.7-179.51770110.8F46 Q47K43-F46 WeakPolarHBondContact O-CB 3.45Å; K43-F46 PolarHBondContact O-N 3.42Å; K43-Q47 WeakPolarHBondContact O-CG 3.17Å; K43-Q47 PolarHBondContact O-N 3.15Å
44E95.1Very high96Very high132 Ų13265.5 Ų65.562%0.61732%0.318SS*.Hα-helixtrans-63.7-46.5178.1-54.471.5-152.400110.5S42 F46 Q47S42-E44 WeakPolarHBondContact CB-OE2 3.49Å; S42-E44 PolarHBondContact O-N 2.82Å; S42-E44 PolarHBondContact OG-N 2.87Å; S42-E44 PolarHBondContact OG-OE2 2.87Å; E44-F46 VanDerWaalsContact C-N 3.35Å; E44-Q47 PolarHBondContact O-N 2.87Å
45F96.5Very high96.1Very high10 Ų1064.2 Ų64.24%0.04431%0.312CS..Hα-helixtrans-70.1-32.6177.7-165.9-98.9000112.6Y6 V33 Q39 H40 S42 Q47 I48 N49 V54 V56Y6-F45 HydrophobicContact CD1-CD2 4.44Å; Y6-F45 HydrophobicContact CD1-CE2 4.05Å; Y6-F45 HydrophobicContact CG-CE2 4.17Å; V33-F45 HydrophobicContact CG1-CD2 4.2Å; V33-F45 HydrophobicContact CG1-CE2 4.2Å; V33-F45 HydrophobicContact CG2-CD2 3.98Å; V33-F45 HydrophobicContact CG2-CE2 3.66Å; V33-F45 HydrophobicContact CG2-CZ 4.47Å; Q39-F45 VanDerWaalsContact O-CB 3.31Å; Q39-F45 WeakPolarHBondContact O-CB 3.34Å; H40-F45 HydrophobicContact CB-CD1 4.2Å; H40-F45 HydrophobicContact CB-CE1 4.22Å; H40-F45 WeakPolarHBondContact O-CD1 3.42Å; S42-F45 PolarHBondContact O-N 3.28Å; S42-F45 PolarHBondContact OG-N 2.89Å; S42-F45 VanDerWaalsContact OG-N 3.1Å; F45-Q47 VanDerWaalsContact C-N 3.26Å; F45-Q47 PolarHBondContact O-N 3.48Å; F45-I48 HydrophobicContact CD2-CD1 4.34Å; F45-I48 WeakPolarHBondContact O-CA 3.27Å; F45-I48 WeakPolarHBondContact O-CB 3.46Å; F45-I48 PolarHBondContact O-N 3.48Å; F45-N49 HydrophobicContact CE1-CB 4.15Å; F45-N49 HydrophobicContact CZ-CB 4.43Å; F45-N49 PolarHBondContact O-N 3.3Å; F45-V54 HydrophobicContact CZ-CG1 3.93Å; F45-V56 HydrophobicContact CZ-CG2 3.82Å
46F96.1Very high96.3Very high97 Ų9762.3 Ų62.343%0.42530%0.302SS..Hα-helixtrans-59.6-36.1173.9178-91.2000112.5S42 K43 E44 I48 N49 S50 Q52S42-F46 WeakPolarHBondContact O-CB 3.4Å; S42-F46 PolarHBondContact O-N 2.91Å; K43-F46 WeakPolarHBondContact O-CB 3.45Å; K43-F46 PolarHBondContact O-N 3.42Å; E44-F46 VanDerWaalsContact C-N 3.35Å; F46-I48 PolarHBondContact O-N 3.48Å; F46-N49 CarbonylContact O-C 3.59Å; F46-S50 PolarHBondContact O-N 3.25Å; F46-Q52 HydrophobicContact CB-CG 4.48Å; F46-Q52 HydrophobicContact CD2-CG 4.06Å
47Q96.1Very high96.5Very high150 Ų15061.7 Ų61.770%0.70130%0.298SS*.Hα-helixtrans-66.3-24.1174.7-62.4-53.8-45.400112.8K43 E44 F45K43-Q47 WeakPolarHBondContact O-CG 3.17Å; K43-Q47 PolarHBondContact O-N 3.15Å; E44-Q47 PolarHBondContact O-N 2.87Å; F45-Q47 VanDerWaalsContact C-N 3.26Å; F45-Q47 PolarHBondContact O-N 3.48Å
48I96.9Very high96.7Very high39 Ų3958.3 Ų58.320%0.228%0.284CS..Hα-helixtrans-85.6-49.3176.7-60.4164.7000109.9Y6 F45 F46 V56 I63Y6-I48 HydrophobicContact CD1-CD1 4.21Å; Y6-I48 HydrophobicContact CD2-CG2 4.31Å; Y6-I48 HydrophobicContact CE1-CD1 3.5Å; Y6-I48 HydrophobicContact CE2-CD1 4.49Å; Y6-I48 HydrophobicContact CE2-CG2 4.09Å; F45-I48 HydrophobicContact CD2-CD1 4.34Å; F45-I48 WeakPolarHBondContact O-CA 3.27Å; F45-I48 WeakPolarHBondContact O-CB 3.46Å; F45-I48 PolarHBondContact O-N 3.48Å; F46-I48 PolarHBondContact O-N 3.48Å; I48-V56 HydrophobicContact CG2-CG1 4.22Å; I48-I63 WeakPolarHBondContact O-CD1 3.4Å
49N97.5Very high96.8Very high10 Ų1059.2 Ų59.25%0.05329%0.287CS..  trans-139.8108.6179.6177.914.3000110.2F45 F46 L51 Q52 K53 V56F45-N49 HydrophobicContact CE1-CB 4.15Å; F45-N49 HydrophobicContact CZ-CB 4.43Å; F45-N49 PolarHBondContact O-N 3.3Å; F46-N49 CarbonylContact O-C 3.59Å; N49-L51 PolarHBondContact O-N 2.84Å; N49-L51 WeakPolarHBondContact OD1-CB 3.41Å; N49-L51 PolarHBondContact OD1-N 3.08Å; N49-Q52 WeakPolarHBondContact O-CA 3.5Å; N49-Q52 PolarHBondContact O-N 2.92Å; N49-K53 PolarHBondContact ND2-N 3.14Å; N49-K53 PolarHBondContact ND2-O 3.45Å; N49-V56 HydrophobicContact CB-CG1 4.48Å; N49-V56 HydrophobicContact CB-CG2 3.78Å; N49-V56 WeakPolarHBondContact ND2-CG2 3.4Å
50S96.6Very high96.8Very high81 Ų8155.9 Ų55.957%0.56628%0.275SS*.THydrogen-bonded Turntrans-63.1-23.3178.9610000113.4F46 Q52F46-S50 PolarHBondContact O-N 3.25Å; S50-Q52 PolarHBondContact O-N 3.5Å
51L96.4Very high96.8Very high94 Ų9462.1 Ų62.149%0.49231%0.309SS..THydrogen-bonded Turntrans-74.2-13.4173.3-59.2179.9000112.8N49 K53N49-L51 PolarHBondContact O-N 2.84Å; N49-L51 WeakPolarHBondContact OD1-CB 3.41Å; N49-L51 PolarHBondContact OD1-N 3.08Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.37Å
52Q96.3Very high97Very high40 Ų4063.7 Ų63.719%0.18732%0.318CS..  trans54.946.7176.8-68.9-177-39.300112.3H40 R41 F46 N49 S50H40-Q52 PolarHBondContact CD2-O 3.22Å; H40-Q52 WeakPolarHBondContact O-CA 3.44Å; H40-Q52 WeakPolarHBondContact O-CB 3.5Å; H40-Q52 WeakPolarHBondContact O-CG 3.28Å; R41-Q52 PolarHBondContact O-NE2 2.87Å; F46-Q52 HydrophobicContact CB-CG 4.48Å; F46-Q52 HydrophobicContact CD2-CG 4.06Å; N49-Q52 WeakPolarHBondContact O-CA 3.5Å; N49-Q52 PolarHBondContact O-N 2.92Å; S50-Q52 PolarHBondContact O-N 3.5Å
53K97.3Very high97.2Very high122 Ų12265.1 Ų65.153%0.5332%0.322SS..  trans-128.5155.3179-70.6177.4-175.21760110.9N49 L51 V56N49-K53 PolarHBondContact ND2-N 3.14Å; N49-K53 PolarHBondContact ND2-O 3.45Å; L51-K53 VanDerWaalsContact C-N 3.32Å; L51-K53 PolarHBondContact O-N 3.37Å; K53-V56 WeakPolarHBondContact O-CG2 3.35Å
54V98.4Very high97.4Very high19 Ų1958.6 Ų58.612%0.11530%0.295CS..SBendtrans-113.6150.5168.4-64.60000109.6N8 V33 I35 F45N8-V54 HydrophobicContact CB-CG2 4.28Å; V33-V54 HydrophobicContact CB-CG1 3.91Å; V33-V54 HydrophobicContact CG1-CG1 4.05Å; V33-V54 HydrophobicContact CG2-CG1 4.31Å; I35-V54 HydrophobicContact CG2-CG2 3.82Å; F45-V54 HydrophobicContact CZ-CG1 3.93Å
55P98.8Very high97.5Very high6 Ų654.1 Ų54.14%0.03928%0.277CS..  cis-77158.20.533-37000114.4Y6 L7 P13 V17 I70Y6-P55 WeakPolarHBondContact O-CA 3.46Å; L7-P55 HydrophobicContact CD2-CB 3.27Å; P13-P55 HydrophobicContact CB-CG 4.35Å; V17-P55 HydrophobicContact CG2-CB 4.33Å; V17-P55 HydrophobicContact CG2-CG 4Å; P55-I70 HydrophobicContact CB-CD1 4.17Å; P55-I70 HydrophobicContact CG-CD1 4.06Å
56V98.9Very high97.6Very high0 Ų058.4 Ų58.40%030%0.297CS..EExtended strand (participates in β ladder)trans-133.1136.6167.6-173.20000109.1Y6 F45 I48 N49 K53 I63 T65Y6-V56 HydrophobicContact CD2-CB 4.4Å; Y6-V56 PolarHBondContact N-O 3.02Å; Y6-V56 PolarHBondContact O-N 2.87Å; F45-V56 HydrophobicContact CZ-CG2 3.82Å; I48-V56 HydrophobicContact CG2-CG1 4.22Å; N49-V56 HydrophobicContact CB-CG1 4.48Å; N49-V56 HydrophobicContact CB-CG2 3.78Å; N49-V56 WeakPolarHBondContact ND2-CG2 3.4Å; K53-V56 WeakPolarHBondContact O-CG2 3.35Å; V56-I63 HydrophobicContact CG1-CG2 3.59Å; V56-T65 HydrophobicContact CG1-CG2 4.35Å; V56-T65 HydrophobicContact CG2-CG2 4.32Å
57L98.8Very high97.8Very high0 Ų054.1 Ų54.10%028%0.279CS..EExtended strand (participates in β ladder)trans-103.8134.5170.8176154.4000108.9L3 L5 D59 I63 L64 I70 Y73 L74L3-L57 HydrophobicContact CD1-CD1 3.83Å; L3-L57 HydrophobicContact CD1-CD2 3.88Å; L3-L57 HydrophobicContact CD1-CG 3.65Å; L5-L57 HydrophobicContact CD2-CB 3.89Å; L5-L57 HydrophobicContact CD2-CD1 4.01Å; L5-L57 HydrophobicContact CD2-CG 3.95Å; L57-D59 HydrophobicContact CD2-CB 3.85Å; L57-I63 WeakPolarHBondContact O-CA 3.39Å; L57-L64 HydrophobicContact CB-CB 4.46Å; L57-L64 HydrophobicContact CD2-CB 4.26Å; L57-L64 PolarHBondContact N-O 3.19Å; L57-L64 PolarHBondContact O-N 3.14Å; L57-I70 HydrophobicContact CB-CD1 4.07Å; L57-I70 HydrophobicContact CB-CG1 3.86Å; L57-I70 HydrophobicContact CB-CG2 4.05Å; L57-I70 HydrophobicContact CD1-CG2 3.79Å; L57-Y73 HydrophobicContact CD1-CD1 3.83Å; L57-Y73 HydrophobicContact CD1-CE1 4.25Å; L57-Y73 HydrophobicContact CD2-CD1 4.18Å; L57-Y73 HydrophobicContact CD2-CE1 4.02Å; L57-L74 HydrophobicContact CD1-CD1 4.23Å; L57-L74 HydrophobicContact CD1-CD2 3.55Å; L57-L74 HydrophobicContact CD1-CG 3.76Å
58K98.6Very high97.9Very high41 Ų4148.9 Ų48.918%0.17826%0.259CS..EExtended strand (participates in β ladder)trans-125.8123.5171.2176.3174.8172.9-70.90109.6E4 Y6 G60 F62 I63E4-K58 HydrophobicContact CB-CB 4.28Å; E4-K58 PolarHBondContact N-O 3.05Å; E4-K58 PolarHBondContact O-N 3.05Å; E4-K58 IonicContact OE1-NZ 3.77Å; E4-K58 PolarHBondContact OE1-NZ 3.06Å; Y6-K58 HydrophobicContact CE2-CB 3.96Å; Y6-K58 HydrophobicContact CE2-CD 4.28Å; K58-G60 WeakPolarHBondContact CE-O 3.33Å; K58-G60 WeakPolarHBondContact CG-O 3.49Å; K58-G60 PolarHBondContact NZ-O 3.3Å; K58-F62 WeakPolarHBondContact CA-O 3.41Å; K58-I63 HydrophobicContact CB-CG1 4.38Å; K58-I63 HydrophobicContact CD-CG1 4.48Å; K58-I63 HydrophobicContact CG-CG1 4.16Å
59D98.3Very high98Very high26 Ų2648.7 Ų48.714%0.13926%0.263CS..EExtended strand (participates in β ladder)trans-129.389-174.1-159.7-31.6000109.5L3 L57 D61 F62 Y73 K77L3-D59 HydrophobicContact CD1-CB 3.88Å; L3-D59 WeakPolarHBondContact CD1-OD2 3.31Å; L57-D59 HydrophobicContact CD2-CB 3.85Å; D59-D61 PolarHBondContact O-N 2.72Å; D59-F62 HydrophobicContact CB-CD1 4.5Å; D59-F62 PolarHBondContact N-O 2.84Å; D59-F62 WeakPolarHBondContact O-CB 3.5Å; D59-F62 PolarHBondContact O-N 2.9Å; D59-F62 VanDerWaalsContact O-N 3.15Å; D59-Y73 WeakPolarHBondContact OD2-CE1 3.45Å; D59-Y73 PolarHBondContact OD2-OH 3.32Å; D59-K77 IonicContact OD1-NZ 2.71Å; D59-K77 PolarHBondContact OD1-NZ 2.96Å; D59-K77 WeakPolarHBondContact OD2-CD 3.48Å; D59-K77 WeakPolarHBondContact OD2-CE 3.25Å; D59-K77 IonicContact OD2-NZ 3.68Å; D59-K77 PolarHBondContact OD2-NZ 2.83Å
60G96.3Very high98Very high15 Ų1548.2 Ų48.216%0.15526%0.261CS..THydrogen-bonded Turntrans63.4-120.3-161.600000110.4K58K58-G60 WeakPolarHBondContact CE-O 3.33Å; K58-G60 WeakPolarHBondContact CG-O 3.49Å; K58-G60 PolarHBondContact NZ-O 3.3Å
61D96.3Very high98.2Very high150 Ų15044.4 Ų44.480%0.80223%0.234SC*.THydrogen-bonded Turntrans-92.3-8.5178.1-57.7-34.1000112.6D59D59-D61 PolarHBondContact O-N 2.72Å
62F98.1Very high98.3Very high96 Ų9641.8 Ų41.842%0.42122%0.22SC..EExtended strand (participates in β ladder)trans-81.1121.2177.7179.4-110.3000110.3K58 D59 L64 Y73K58-F62 WeakPolarHBondContact CA-O 3.41Å; D59-F62 HydrophobicContact CB-CD1 4.5Å; D59-F62 PolarHBondContact N-O 2.84Å; D59-F62 WeakPolarHBondContact O-CB 3.5Å; D59-F62 PolarHBondContact O-N 2.9Å; D59-F62 VanDerWaalsContact O-N 3.15Å; F62-L64 HydrophobicContact CE1-CB 3.84Å; F62-L64 HydrophobicContact CE1-CD2 4.2Å; F62-L64 HydrophobicContact CE1-CG 4.45Å; F62-L64 HydrophobicContact CZ-CB 4.14Å; F62-L64 HydrophobicContact CZ-CD1 4.2Å; F62-L64 HydrophobicContact CZ-CD2 4.47Å; F62-Y73 HydrophobicContact CD1-CE2 4.07Å; F62-Y73 AromaticContact CE1-CD2 3.98Å; F62-Y73 HydrophobicContact CE1-CD2 3.98Å; F62-Y73 AromaticContact CE1-CE2 3.61Å; F62-Y73 HydrophobicContact CE1-CE2 3.61Å; F62-Y73 HydrophobicContact CZ-CE2 4.48Å
63I98.5Very high98.4Very high67 Ų6743 Ų4334%0.34422%0.223SC..EExtended strand (participates in β ladder)trans-114129.9178.4-61.6172.6000109.1I48 V56 L57 K58I48-I63 WeakPolarHBondContact O-CD1 3.4Å; V56-I63 HydrophobicContact CG1-CG2 3.59Å; L57-I63 WeakPolarHBondContact O-CA 3.39Å; K58-I63 HydrophobicContact CB-CG1 4.38Å; K58-I63 HydrophobicContact CD-CG1 4.48Å; K58-I63 HydrophobicContact CG-CG1 4.16Å
64L98.8Very high98.5Very high36 Ų3637.1 Ų37.119%0.18820%0.198CC..EExtended strand (participates in β ladder)trans-130.3135-179.3-172.764000111.1L57 F62 A69 I70 Y73L57-L64 HydrophobicContact CB-CB 4.46Å; L57-L64 HydrophobicContact CD2-CB 4.26Å; L57-L64 PolarHBondContact N-O 3.19Å; L57-L64 PolarHBondContact O-N 3.14Å; F62-L64 HydrophobicContact CE1-CB 3.84Å; F62-L64 HydrophobicContact CE1-CD2 4.2Å; F62-L64 HydrophobicContact CE1-CG 4.45Å; F62-L64 HydrophobicContact CZ-CB 4.14Å; F62-L64 HydrophobicContact CZ-CD1 4.2Å; F62-L64 HydrophobicContact CZ-CD2 4.47Å; L64-A69 HydrophobicContact CD1-CB 4.27Å; L64-A69 HydrophobicContact CD2-CB 4.34Å; L64-A69 HydrophobicContact CG-CB 4.4Å; L64-I70 HydrophobicContact CB-CG1 4.5Å; L64-I70 HydrophobicContact CD2-CG1 4.32Å; L64-I70 HydrophobicContact CG-CG1 4.16Å; L64-Y73 HydrophobicContact CD2-CD2 4.25Å; L64-Y73 HydrophobicContact CD2-CG 3.93Å
65T98.8Very high98.5Very high38 Ų3836.6 Ų36.623%0.23320%0.195CC..EExtended strand (participates in β ladder)trans-113.6176.9176.763.70000110.5V56V56-T65 HydrophobicContact CG1-CG2 4.35Å; V56-T65 HydrophobicContact CG2-CG2 4.32Å
66E98.6Very high98.5Very high100 Ų10039.9 Ų39.947%0.46722%0.217SC..SBendtrans69.4118.9-175.7-54.7-58.2136.800112.8S68 A69 I70E66-S68 VanDerWaalsContact C-N 3.27Å; E66-S68 PolarHBondContact O-N 2.99Å; E66-A69 HydrophobicContact CB-CB 4.32Å; E66-A69 PolarHBondContact O-N 3.37Å; E66-A69 VanDerWaalsContact O-N 3.15Å; E66-I70 VanDerWaalsContact O-CG1 3.31Å; E66-I70 WeakPolarHBondContact O-CG1 3.21Å; E66-I70 PolarHBondContact O-N 3.35Å
67S98.8Very high98.5Very high7 Ų744.2 Ų44.25%0.04924%0.236CC..Hα-helixtrans-60.5-35.8-175.351.40000112.9P13 I70 L71 M168P13-S67 VanDerWaalsContact CB-OG 3.25Å; P13-S67 WeakPolarHBondContact CB-OG 3.14Å; S67-I70 PolarHBondContact O-N 2.83Å; S67-L71 VanDerWaalsContact O-CB 3.26Å; S67-L71 WeakPolarHBondContact O-CB 3.44Å; S67-L71 WeakPolarHBondContact O-CD1 3.17Å; S67-L71 WeakPolarHBondContact O-CG 3.19Å; S67-L71 PolarHBondContact O-N 3.43Å; S67-M168 WeakPolarHBondContact OG-CE 3.49Å; S67-M168 PolarHBondContact OG-SD 3.2Å; S67-M168 VanDerWaalsContact OG-SD 3.4Å
68S98.7Very high98.5Very high40 Ų4047.6 Ų47.628%0.2825%0.249SC..Hα-helixtrans-61.3-46.5175.952.50000111.9E66 L71 I72E66-S68 VanDerWaalsContact C-N 3.27Å; E66-S68 PolarHBondContact O-N 2.99Å; S68-L71 PolarHBondContact O-N 3.5Å; S68-I72 WeakPolarHBondContact O-CD1 3.47Å; S68-I72 VanDerWaalsContact O-CG1 3.28Å; S68-I72 WeakPolarHBondContact O-CG1 3.44Å; S68-I72 PolarHBondContact O-N 2.8Å; S68-I72 VanDerWaalsContact O-N 3.08Å
69A98.9Very high98.5Very high35 Ų3554 Ų5429%0.28928%0.28SS..Hα-helixtrans-66.9-42.5177.300000111.6L64 E66 I72 Y73L64-A69 HydrophobicContact CD1-CB 4.27Å; L64-A69 HydrophobicContact CD2-CB 4.34Å; L64-A69 HydrophobicContact CG-CB 4.4Å; E66-A69 HydrophobicContact CB-CB 4.32Å; E66-A69 PolarHBondContact O-N 3.37Å; E66-A69 VanDerWaalsContact O-N 3.15Å; A69-I72 PolarHBondContact O-N 3.07Å; A69-Y73 VanDerWaalsContact O-CB 3.3Å; A69-Y73 WeakPolarHBondContact O-CB 3.48Å; A69-Y73 PolarHBondContact O-N 3.32Å
70I98.9Very high98.5Very high0 Ų053.8 Ų53.80%028%0.28CS..Hα-helixtrans-59.7-48.2175.7-69.4168.2000111V17 P55 L57 L64 E66 S67 I72 Y73 L74V17-I70 HydrophobicContact CB-CG2 4.45Å; V17-I70 HydrophobicContact CG1-CG2 3.69Å; V17-I70 HydrophobicContact CG2-CB 4.24Å; V17-I70 HydrophobicContact CG2-CG2 3.81Å; P55-I70 HydrophobicContact CB-CD1 4.17Å; P55-I70 HydrophobicContact CG-CD1 4.06Å; L57-I70 HydrophobicContact CB-CD1 4.07Å; L57-I70 HydrophobicContact CB-CG1 3.86Å; L57-I70 HydrophobicContact CB-CG2 4.05Å; L57-I70 HydrophobicContact CD1-CG2 3.79Å; L64-I70 HydrophobicContact CB-CG1 4.5Å; L64-I70 HydrophobicContact CD2-CG1 4.32Å; L64-I70 HydrophobicContact CG-CG1 4.16Å; E66-I70 VanDerWaalsContact O-CG1 3.31Å; E66-I70 WeakPolarHBondContact O-CG1 3.21Å; E66-I70 PolarHBondContact O-N 3.35Å; S67-I70 PolarHBondContact O-N 2.83Å; I70-I72 PolarHBondContact O-N 3.36Å; I70-Y73 PolarHBondContact O-N 2.85Å; I70-L74 HydrophobicContact CG2-CD1 3.88Å; I70-L74 HydrophobicContact CG2-CG 4.32Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 VanDerWaalsContact O-CG 3.24Å; I70-L74 WeakPolarHBondContact O-CG 3.27Å; I70-L74 PolarHBondContact O-N 2.98Å
71L98.9Very high98.6Very high1 Ų155.5 Ų55.51%0.00529%0.292CS..Hα-helixtrans-62.1-42.9179.8-73.4168.9000112A16 V17 F20 S67 S68 L74 S75 L164 L167 M168A16-L71 HydrophobicContact CB-CD1 4.47Å; V17-L71 HydrophobicContact CG2-CD2 4.31Å; V17-L71 HydrophobicContact CG2-CG 4.15Å; F20-L71 HydrophobicContact CB-CD2 3.23Å; F20-L71 HydrophobicContact CD1-CD2 3.78Å; F20-L71 HydrophobicContact CD2-CD2 4.08Å; F20-L71 HydrophobicContact CG-CD2 3.42Å; F20-L71 VanDerWaalsContact CG-CD2 3.42Å; S67-L71 VanDerWaalsContact O-CB 3.26Å; S67-L71 WeakPolarHBondContact O-CB 3.44Å; S67-L71 WeakPolarHBondContact O-CD1 3.17Å; S67-L71 WeakPolarHBondContact O-CG 3.19Å; S67-L71 PolarHBondContact O-N 3.43Å; S68-L71 PolarHBondContact O-N 3.5Å; L71-L74 PolarHBondContact O-N 3.27Å; L71-S75 WeakPolarHBondContact O-CB 3.5Å; L71-S75 PolarHBondContact O-N 2.87Å; L71-L164 HydrophobicContact CB-CD1 3.82Å; L71-L164 HydrophobicContact CB-CD2 3.96Å; L71-L164 HydrophobicContact CB-CG 4.42Å; L71-L164 HydrophobicContact CD1-CD2 4.43Å; L71-L164 HydrophobicContact CD2-CD2 4.25Å; L71-L164 HydrophobicContact CG-CD2 4.45Å; L71-L167 HydrophobicContact CD2-CD2 4.49Å; L71-M168 HydrophobicContact CD1-CG 3.93Å; L71-M168 HydrophobicContact CD1-SD 3.79Å
72I98.9Very high98.7Very high39 Ų3952.5 Ų52.520%0.228%0.276CS..Hα-helixtrans-66.5-42.5176-67.6166.4000110.9S68 A69 I70 L74 S75 C76 Y85 L164S68-I72 WeakPolarHBondContact O-CD1 3.47Å; S68-I72 VanDerWaalsContact O-CG1 3.28Å; S68-I72 WeakPolarHBondContact O-CG1 3.44Å; S68-I72 PolarHBondContact O-N 2.8Å; S68-I72 VanDerWaalsContact O-N 3.08Å; A69-I72 PolarHBondContact O-N 3.07Å; I70-I72 PolarHBondContact O-N 3.36Å; I72-L74 PolarHBondContact O-N 3.22Å; I72-S75 PolarHBondContact O-N 3.41Å; I72-S75 PolarHBondContact O-OG 3.22Å; I72-C76 PolarHBondContact O-N 3.35Å; I72-C76 PolarHBondContact O-SG 2.86Å; I72-C76 VanDerWaalsContact O-SG 3.36Å; I72-Y85 HydrophobicContact CD1-CE2 4.14Å; I72-Y85 HydrophobicContact CG1-CD2 4.24Å; I72-Y85 HydrophobicContact CG1-CE2 4.04Å; I72-Y85 HydrophobicContact CG2-CD1 4.27Å; I72-Y85 HydrophobicContact CG2-CE1 3.78Å; I72-L164 HydrophobicContact CG1-CD1 3.84Å
73Y98.9Very high98.7Very high64 Ų6449.4 Ų49.425%0.25126%0.263SS..Hα-helixtrans-59.4-47.9176176.8-90.8000111.3L57 D59 F62 L64 A69 I70 S75 C76 K77L57-Y73 HydrophobicContact CD1-CD1 3.83Å; L57-Y73 HydrophobicContact CD1-CE1 4.25Å; L57-Y73 HydrophobicContact CD2-CD1 4.18Å; L57-Y73 HydrophobicContact CD2-CE1 4.02Å; D59-Y73 WeakPolarHBondContact OD2-CE1 3.45Å; D59-Y73 PolarHBondContact OD2-OH 3.32Å; F62-Y73 HydrophobicContact CD1-CE2 4.07Å; F62-Y73 AromaticContact CE1-CD2 3.98Å; F62-Y73 HydrophobicContact CE1-CD2 3.98Å; F62-Y73 AromaticContact CE1-CE2 3.61Å; F62-Y73 HydrophobicContact CE1-CE2 3.61Å; F62-Y73 HydrophobicContact CZ-CE2 4.48Å; L64-Y73 HydrophobicContact CD2-CD2 4.25Å; L64-Y73 HydrophobicContact CD2-CG 3.93Å; A69-Y73 VanDerWaalsContact O-CB 3.3Å; A69-Y73 WeakPolarHBondContact O-CB 3.48Å; A69-Y73 PolarHBondContact O-N 3.32Å; I70-Y73 PolarHBondContact O-N 2.85Å; Y73-S75 PolarHBondContact O-N 2.93Å; Y73-C76 PolarHBondContact O-N 2.8Å; Y73-K77 HydrophobicContact CE1-CB 4.23Å; Y73-K77 HydrophobicContact CE1-CD 3.62Å; Y73-K77 VanDerWaalsContact O-CB 3.23Å; Y73-K77 WeakPolarHBondContact O-CB 2.99Å; Y73-K77 PolarHBondContact O-N 3.37Å
74L98.9Very high98.7Very high0 Ų046.3 Ų46.30%025%0.247CC..Hα-helixtrans-63.4-41.3178.4-70.1176.4000111.5L3 V17 F20 I26 L57 I70 L71 I72 C76 Y78L3-L74 HydrophobicContact CD1-CD2 4.46Å; L3-L74 HydrophobicContact CD2-CD2 3.56Å; V17-L74 HydrophobicContact CG1-CD1 4.36Å; F20-L74 HydrophobicContact CD1-CB 4.09Å; F20-L74 HydrophobicContact CD1-CD1 4.28Å; F20-L74 HydrophobicContact CE1-CB 3.7Å; I26-L74 HydrophobicContact CD1-CB 4.05Å; I26-L74 HydrophobicContact CD1-CD2 4.5Å; I26-L74 HydrophobicContact CG2-CD2 4.46Å; L57-L74 HydrophobicContact CD1-CD1 4.23Å; L57-L74 HydrophobicContact CD1-CD2 3.55Å; L57-L74 HydrophobicContact CD1-CG 3.76Å; I70-L74 HydrophobicContact CG2-CD1 3.88Å; I70-L74 HydrophobicContact CG2-CG 4.32Å; I70-L74 WeakPolarHBondContact O-CB 3.48Å; I70-L74 VanDerWaalsContact O-CG 3.24Å; I70-L74 WeakPolarHBondContact O-CG 3.27Å; I70-L74 PolarHBondContact O-N 2.98Å; L71-L74 PolarHBondContact O-N 3.27Å; I72-L74 PolarHBondContact O-N 3.22Å; L74-C76 PolarHBondContact O-N 3.36Å; L74-Y78 HydrophobicContact CD2-CD2 4.06Å; L74-Y78 HydrophobicContact CD2-CE2 3.76Å; L74-Y78 WeakPolarHBondContact O-CB 3.26Å; L74-Y78 WeakPolarHBondContact O-CD2 3.45Å; L74-Y78 PolarHBondContact O-N 3.29Å
75S98.8Very high98.7Very high7 Ų745.8 Ų45.85%0.04924%0.243CC..Hα-helixtrans-62.5-44.1178.575.80000111.8L71 I72 Y73 Q79 T80L71-S75 WeakPolarHBondContact O-CB 3.5Å; L71-S75 PolarHBondContact O-N 2.87Å; I72-S75 PolarHBondContact O-N 3.41Å; I72-S75 PolarHBondContact O-OG 3.22Å; Y73-S75 PolarHBondContact O-N 2.93Å; S75-Q79 WeakPolarHBondContact O-CA 3.49Å; S75-Q79 PolarHBondContact O-N 3.35Å; S75-Q79 VanDerWaalsContact O-N 3.09Å; S75-T80 VanDerWaalsContact CA-OG1 3.27Å; S75-T80 WeakPolarHBondContact CA-OG1 3.3Å; S75-T80 WeakPolarHBondContact CB-OG1 3.47Å; S75-T80 PolarHBondContact O-N 2.99Å; S75-T80 VanDerWaalsContact O-N 3.13Å; S75-T80 PolarHBondContact O-OG1 3.3Å
76C98.7Very high98.7Very high76 Ų7644.7 Ų44.751%0.51424%0.236SC..Hα-helixtrans-70-48.5177.6-65.90000112.6I72 Y73 L74 Y78 Q79I72-C76 PolarHBondContact O-N 3.35Å; I72-C76 PolarHBondContact O-SG 2.86Å; I72-C76 VanDerWaalsContact O-SG 3.36Å; Y73-C76 PolarHBondContact O-N 2.8Å; L74-C76 PolarHBondContact O-N 3.36Å; C76-Y78 VanDerWaalsContact C-N 3.35Å; C76-Y78 PolarHBondContact O-N 2.89Å; C76-Q79 PolarHBondContact O-N 3.38Å
77K98.6Very high98.7Very high90 Ų9043.8 Ų43.839%0.39124%0.241SC..Hα-helixtrans-61.8-42.7-176.4175.3166.2-179.1156.60112.1D59 Y73D59-K77 IonicContact OD1-NZ 2.71Å; D59-K77 PolarHBondContact OD1-NZ 2.96Å; D59-K77 WeakPolarHBondContact OD2-CD 3.48Å; D59-K77 WeakPolarHBondContact OD2-CE 3.25Å; D59-K77 IonicContact OD2-NZ 3.68Å; D59-K77 PolarHBondContact OD2-NZ 2.83Å; Y73-K77 HydrophobicContact CE1-CB 4.23Å; Y73-K77 HydrophobicContact CE1-CD 3.62Å; Y73-K77 VanDerWaalsContact O-CB 3.23Å; Y73-K77 WeakPolarHBondContact O-CB 2.99Å; Y73-K77 PolarHBondContact O-N 3.37Å
78Y98.6Very high98.7Very high72 Ų7247.8 Ų47.828%0.28226%0.262SS..THydrogen-bonded Turntrans-96.93.8-176.1-68-88.4000113.3L3 I26 P27 L74 C76 T80L3-Y78 HydrophobicContact CD2-CE2 4.09Å; I26-Y78 HydrophobicContact CD1-CD2 3.85Å; I26-Y78 HydrophobicContact CD1-CG 3.95Å; I26-Y78 HydrophobicContact CG1-CD1 4.24Å; I26-Y78 HydrophobicContact CG1-CD2 4.19Å; I26-Y78 HydrophobicContact CG1-CG 3.9Å; I26-Y78 HydrophobicContact CG2-CD1 4.06Å; I26-Y78 HydrophobicContact CG2-CD2 3.85Å; I26-Y78 HydrophobicContact CG2-CE1 3.79Å; I26-Y78 HydrophobicContact CG2-CE2 3.59Å; I26-Y78 HydrophobicContact CG2-CG 4.08Å; P27-Y78 HydrophobicContact CG-CE1 4.42Å; L74-Y78 HydrophobicContact CD2-CD2 4.06Å; L74-Y78 HydrophobicContact CD2-CE2 3.76Å; L74-Y78 WeakPolarHBondContact O-CB 3.26Å; L74-Y78 WeakPolarHBondContact O-CD2 3.45Å; L74-Y78 PolarHBondContact O-N 3.29Å; C76-Y78 VanDerWaalsContact C-N 3.35Å; C76-Y78 PolarHBondContact O-N 2.89Å; Y78-T80 PolarHBondContact O-N 2.86Å
79Q98.4Very high98.7Very high174 Ų17452.7 Ų52.781%0.81328%0.284SS*.THydrogen-bonded Turntrans49.246.4179.1-56.7178.130.700111.8S75 C76S75-Q79 WeakPolarHBondContact O-CA 3.49Å; S75-Q79 PolarHBondContact O-N 3.35Å; S75-Q79 VanDerWaalsContact O-N 3.09Å; C76-Q79 PolarHBondContact O-N 3.38Å
80T98.7Very high98.7Very high23 Ų2358.1 Ų58.114%0.14130%0.303CS..  trans-61.5161.2178.759.80000110.6F20 N24 I26 S75 Y78 D82F20-T80 HydrophobicContact CE1-CG2 4.17Å; F20-T80 HydrophobicContact CZ-CG2 3.83Å; N24-T80 HydrophobicContact CB-CG2 3.75Å; I26-T80 HydrophobicContact CD1-CG2 4.13Å; S75-T80 VanDerWaalsContact CA-OG1 3.27Å; S75-T80 WeakPolarHBondContact CA-OG1 3.3Å; S75-T80 WeakPolarHBondContact CB-OG1 3.47Å; S75-T80 PolarHBondContact O-N 2.99Å; S75-T80 VanDerWaalsContact O-N 3.13Å; S75-T80 PolarHBondContact O-OG1 3.3Å; Y78-T80 PolarHBondContact O-N 2.86Å; T80-D82 PolarHBondContact O-N 3.24Å
81A98.6Very high98.7Very high51 Ų5159.5 Ų59.542%0.42132%0.315SS..  trans-48.8132.8-178.800000112.8H83 W84A81-H83 VanDerWaalsContact CB-CD2 3.5Å; A81-H83 WeakPolarHBondContact CB-CD2 3.43Å; A81-H83 PolarHBondContact O-N 2.93Å; A81-W84 PolarHBondContact O-N 2.78Å
82D98.7Very high98.7Very high86 Ų8663.4 Ų63.446%0.4633%0.33SS..G310 helixtrans-55.9-32.4-169.3-175.583000112.8T80 W84 Y85 P86 S87T80-D82 PolarHBondContact O-N 3.24Å; D82-W84 PolarHBondContact O-N 3.36Å; D82-Y85 CarbonylContact O-C 3.58Å; D82-Y85 PolarHBondContact O-N 2.92Å; D82-Y85 VanDerWaalsContact O-N 3.09Å; D82-P86 WeakPolarHBondContact O-CA 3.46Å; D82-S87 WeakPolarHBondContact OD1-CB 3.26Å; D82-S87 PolarHBondContact OD1-N 2.82Å; D82-S87 PolarHBondContact OD1-OG 3.05Å
83H98.7Very high98.7Very high32 Ų3263.9 Ų63.915%0.14834%0.34CS..G310 helixtrans-56.8-28.8179.675.580.2000113.7A81 Q161 V162 T163 F200A81-H83 VanDerWaalsContact CB-CD2 3.5Å; A81-H83 WeakPolarHBondContact CB-CD2 3.43Å; A81-H83 PolarHBondContact O-N 2.93Å; H83-Q161 HydrophobicContact CB-CB 3.83Å; H83-Q161 HydrophobicContact CB-CG 4.42Å; H83-V162 CarbonylContact C-O 3.11Å; H83-V162 PolarHBondContact ND1-O 2.98Å; H83-V162 VanDerWaalsContact O-O 3.12Å; H83-T163 WeakPolarHBondContact O-CG2 3.48Å; H83-F200 AromaticContact CE1-CZ 3.61Å; H83-F200 AromaticContact NE2-CZ 3.98Å
84W98.8Very high98.7Very high2 Ų267 Ų671%0.00835%0.351CS..G310 helixtrans-63.1-45.7177.8-77.3116.9000112.2F20 K23 N24 A81 D82 V162 T163 L164 L167 F200 L201F20-W84 HydrophobicContact CD2-CD2 4.1Å; F20-W84 HydrophobicContact CD2-CE3 4.16Å; F20-W84 HydrophobicContact CD2-CG 4.5Å; F20-W84 HydrophobicContact CD2-CZ3 4.46Å; F20-W84 HydrophobicContact CE2-CB 3.95Å; F20-W84 AromaticContact CE2-CD2 3.74Å; F20-W84 HydrophobicContact CE2-CD2 3.74Å; F20-W84 HydrophobicContact CE2-CE3 4.13Å; F20-W84 AromaticContact CE2-CG 3.67Å; F20-W84 HydrophobicContact CE2-CG 3.67Å; K23-W84 HydrophobicContact CG-CZ2 3.94Å; N24-W84 PolarHBondContact ND2-NE1 3.36Å; N24-W84 PolarHBondContact OD1-NE1 3.33Å; A81-W84 PolarHBondContact O-N 2.78Å; D82-W84 PolarHBondContact O-N 3.36Å; W84-V162 HydrophobicContact CH2-CG1 4.44Å; W84-V162 HydrophobicContact CH2-CG2 4.37Å; W84-V162 HydrophobicContact CZ3-CG1 4.38Å; W84-V162 HydrophobicContact CZ3-CG2 3.99Å; W84-T163 WeakPolarHBondContact O-CA 3.4Å; W84-L164 HydrophobicContact CB-CD2 4.5Å; W84-L164 HydrophobicContact CE3-CD2 4.27Å; W84-L164 WeakPolarHBondContact O-CG 3.29Å; W84-L164 PolarHBondContact O-N 3.18Å; W84-L167 HydrophobicContact CZ3-CB 4.46Å; W84-L167 HydrophobicContact CZ3-CD2 4.33Å; W84-F200 HydrophobicContact CH2-CD1 4.42Å; W84-F200 AromaticContact CH2-CE1 3.65Å; W84-F200 HydrophobicContact CH2-CE1 3.65Å; W84-F200 HydrophobicContact CH2-CZ 4.49Å; W84-F200 AromaticContact CZ2-CE1 3.44Å; W84-F200 HydrophobicContact CZ2-CE1 3.44Å; W84-F200 VanDerWaalsContact CZ2-CE1 3.44Å; W84-F200 AromaticContact CZ2-CZ 3.94Å; W84-F200 HydrophobicContact CZ2-CZ 3.94Å; W84-L201 HydrophobicContact CH2-CD2 4Å
85Y98.8Very high98.7Very high25 Ų2567 Ų6710%0.09835%0.351CS..SBendtrans-143.280.8-178.3-175.6-119000109.6I72 D82 R92 V95 H96 L164I72-Y85 HydrophobicContact CD1-CE2 4.14Å; I72-Y85 HydrophobicContact CG1-CD2 4.24Å; I72-Y85 HydrophobicContact CG1-CE2 4.04Å; I72-Y85 HydrophobicContact CG2-CD1 4.27Å; I72-Y85 HydrophobicContact CG2-CE1 3.78Å; D82-Y85 CarbonylContact O-C 3.58Å; D82-Y85 PolarHBondContact O-N 2.92Å; D82-Y85 VanDerWaalsContact O-N 3.09Å; Y85-R92 HydrophobicContact CE2-CG 3.84Å; Y85-R92 WeakPolarHBondContact OH-CD 3.36Å; Y85-V95 HydrophobicContact CD2-CG1 4.26Å; Y85-H96 AromaticContact CE2-NE2 3.46Å; Y85-H96 WeakPolarHBondContact CE2-NE2 3.5Å; Y85-H96 AromaticContact CZ-NE2 3.56Å; Y85-H96 PolarHBondContact OH-CE1 3.14Å; Y85-H96 VanDerWaalsContact OH-CE1 3.23Å; Y85-H96 PolarHBondContact OH-NE2 3.22Å; Y85-L164 HydrophobicContact CD2-CD1 4.29Å; Y85-L164 HydrophobicContact CG-CD1 4.42Å
86P98.6Very high98.7Very high15 Ų1570.7 Ų70.710%0.09737%0.368CS..  trans-57.3146.7-167.2-28.936.6000113.8D82 A91 R92D82-P86 WeakPolarHBondContact O-CA 3.46Å; P86-A91 HydrophobicContact CB-CB 3.63Å; P86-A91 HydrophobicContact CG-CB 4Å; P86-R92 WeakPolarHBondContact O-CB 3.43Å; P86-R92 PolarHBondContact O-NE 3.44Å; P86-R92 PolarHBondContact O-NH2 3.02Å; P86-R92 VanDerWaalsContact O-NH2 3.12Å
87S98.3Very high98.7Very high81 Ų8170.3 Ų70.357%0.56636%0.358SS*.SBendtrans-79.3-26.1172.648.90000113.8D82 L89D82-S87 WeakPolarHBondContact OD1-CB 3.26Å; D82-S87 PolarHBondContact OD1-N 2.82Å; D82-S87 PolarHBondContact OD1-OG 3.05Å; S87-L89 PolarHBondContact O-N 3.23Å
88D98.7Very high98.7Very high90 Ų9066 Ų6648%0.48134%0.339SS..SBendtrans-57.5134.1173.4172.470000111.5Q90 A91 R92D88-Q90 VanDerWaalsContact C-N 3.35Å; D88-Q90 PolarHBondContact O-N 2.93Å; D88-Q90 PolarHBondContact OD2-N 3.15Å; D88-A91 HydrophobicContact CB-CB 3.99Å; D88-A91 PolarHBondContact O-N 2.81Å; D88-A91 WeakPolarHBondContact OD2-CB 3.44Å; D88-A91 PolarHBondContact OD2-N 3.5Å; D88-R92 VanDerWaalsContact O-CB 3.23Å; D88-R92 WeakPolarHBondContact O-CB 3.47Å; D88-R92 PolarHBondContact O-N 3.4Å
89L98.7Very high98.7Very high143 Ų14363.5 Ų63.575%0.74933%0.331SS*.Hα-helixtrans-58.6-45.4-173.217864.3000112S87 A93S87-L89 PolarHBondContact O-N 3.23Å; L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.46Å
90Q98.8Very high98.7Very high149 Ų14957 Ų5770%0.69631%0.311SS*.Hα-helixtrans-77.4-40.6-175.5-63.5-172.111.100111.2D88 A93 R94D88-Q90 VanDerWaalsContact C-N 3.35Å; D88-Q90 PolarHBondContact O-N 2.93Å; D88-Q90 PolarHBondContact OD2-N 3.15Å; Q90-A93 WeakPolarHBondContact O-CB 3.49Å; Q90-A93 PolarHBondContact O-N 3.46Å; Q90-R94 WeakPolarHBondContact O-CG 3.49Å; Q90-R94 PolarHBondContact O-N 3.47Å
91A98.6Very high98.7Very high30 Ų3058 Ų5825%0.24831%0.312CS..Hα-helixtrans-61.8-44.3175.400000111.3P86 D88 A93 R94 V95P86-A91 HydrophobicContact CB-CB 3.63Å; P86-A91 HydrophobicContact CG-CB 4Å; D88-A91 HydrophobicContact CB-CB 3.99Å; D88-A91 PolarHBondContact O-N 2.81Å; D88-A91 WeakPolarHBondContact OD2-CB 3.44Å; D88-A91 PolarHBondContact OD2-N 3.5Å; A91-A93 VanDerWaalsContact C-N 3.33Å; A91-A93 PolarHBondContact O-N 3.36Å; A91-R94 WeakPolarHBondContact O-CB 3.38Å; A91-R94 PolarHBondContact O-N 3.5Å; A91-R94 VanDerWaalsContact O-N 3.17Å; A91-V95 PolarHBondContact O-N 2.77Å
92R98.8Very high98.8Very high82 Ų8255.9 Ų55.931%0.30929%0.293SS..Hα-helixtrans-60.8-42.3173.4-171.9172.3-69.8-163-7.1112Y85 P86 D88 R94 V95 H96Y85-R92 HydrophobicContact CE2-CG 3.84Å; Y85-R92 WeakPolarHBondContact OH-CD 3.36Å; P86-R92 WeakPolarHBondContact O-CB 3.43Å; P86-R92 PolarHBondContact O-NE 3.44Å; P86-R92 PolarHBondContact O-NH2 3.02Å; P86-R92 VanDerWaalsContact O-NH2 3.12Å; D88-R92 VanDerWaalsContact O-CB 3.23Å; D88-R92 WeakPolarHBondContact O-CB 3.47Å; D88-R92 PolarHBondContact O-N 3.4Å; R92-R94 VanDerWaalsContact C-N 3.26Å; R92-R94 PolarHBondContact O-N 2.9Å; R92-V95 PolarHBondContact O-N 3.23Å; R92-H96 PolarHBondContact O-N 3.43Å
93A98.8Very high98.7Very high50 Ų5054.4 Ų54.441%0.41329%0.293SS..Hα-helixtrans-60.9-34.8176.600000112.2L89 Q90 A91 H96 E97L89-A93 WeakPolarHBondContact O-CB 3.46Å; L89-A93 PolarHBondContact O-N 3.46Å; Q90-A93 WeakPolarHBondContact O-CB 3.49Å; Q90-A93 PolarHBondContact O-N 3.46Å; A91-A93 VanDerWaalsContact C-N 3.33Å; A91-A93 PolarHBondContact O-N 3.36Å; A93-H96 PolarHBondContact O-N 3.41Å; A93-E97 VanDerWaalsContact O-CB 3.29Å; A93-E97 WeakPolarHBondContact O-CB 3.35Å; A93-E97 PolarHBondContact O-N 3.05Å
94R98.8Very high98.7Very high128 Ų12859.2 Ų59.248%0.48332%0.32SS..Hα-helixtrans-66.8-38.4174.1-66.4-58.4177.1-154.4-6.4113.1Q90 A91 R92 E97 Y98 A158Q90-R94 WeakPolarHBondContact O-CG 3.49Å; Q90-R94 PolarHBondContact O-N 3.47Å; A91-R94 WeakPolarHBondContact O-CB 3.38Å; A91-R94 PolarHBondContact O-N 3.5Å; A91-R94 VanDerWaalsContact O-N 3.17Å; R92-R94 VanDerWaalsContact C-N 3.26Å; R92-R94 PolarHBondContact O-N 2.9Å; R94-E97 VanDerWaalsContact CD-OE2 3.24Å; R94-E97 WeakPolarHBondContact CD-OE2 3Å; R94-E97 IonicContact CZ-OE2 2.9Å; R94-E97 IonicContact NE-OE2 2.68Å; R94-E97 IonicContact NH1-OE1 3.74Å; R94-E97 IonicContact NH1-OE2 2.85Å; R94-E97 PolarHBondContact NH1-OE2 2.81Å; R94-Y98 PolarHBondContact O-N 3.18Å; R94-A158 HydrophobicContact CB-CB 4.28Å
95V98.9Very high98.7Very high0 Ų060.4 Ų60.40%033%0.329CS..Hα-helixtrans-63.6-46.5173.1178.70000110.2Y85 A91 R92 Y98 L99 A158 T163 L164Y85-V95 HydrophobicContact CD2-CG1 4.26Å; A91-V95 PolarHBondContact O-N 2.77Å; R92-V95 PolarHBondContact O-N 3.23Å; V95-Y98 PolarHBondContact O-N 3.41Å; V95-L99 HydrophobicContact CG1-CD1 3.93Å; V95-L99 HydrophobicContact CG1-CG 4.27Å; V95-L99 VanDerWaalsContact O-CG 3.3Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 3.04Å; V95-A158 HydrophobicContact CG2-CB 3.81Å; V95-T163 HydrophobicContact CG2-CG2 4.16Å; V95-L164 HydrophobicContact CG1-CB 4.37Å
96H98.9Very high98.7Very high86 Ų8659.2 Ų59.240%0.39832%0.324SS..Hα-helixtrans-63.8-41.7177.1-69.1170000113.1Y85 R92 A93 Y98 L99 G100Y85-H96 AromaticContact CE2-NE2 3.46Å; Y85-H96 WeakPolarHBondContact CE2-NE2 3.5Å; Y85-H96 AromaticContact CZ-NE2 3.56Å; Y85-H96 PolarHBondContact OH-CE1 3.14Å; Y85-H96 VanDerWaalsContact OH-CE1 3.23Å; Y85-H96 PolarHBondContact OH-NE2 3.22Å; R92-H96 PolarHBondContact O-N 3.43Å; A93-H96 PolarHBondContact O-N 3.41Å; H96-Y98 VanDerWaalsContact C-N 3.31Å; H96-Y98 PolarHBondContact O-N 3.23Å; H96-L99 PolarHBondContact O-N 2.87Å; H96-G100 PolarHBondContact O-N 3.11Å
97E98.9Very high98.7Very high67 Ų6763.6 Ų63.631%0.31334%0.339SS..Hα-helixtrans-56-48174.9-178.9-172.5-162.600110.3A93 R94 W101 K149 F150A93-E97 VanDerWaalsContact O-CB 3.29Å; A93-E97 WeakPolarHBondContact O-CB 3.35Å; A93-E97 PolarHBondContact O-N 3.05Å; R94-E97 VanDerWaalsContact CD-OE2 3.24Å; R94-E97 WeakPolarHBondContact CD-OE2 3Å; R94-E97 IonicContact CZ-OE2 2.9Å; R94-E97 IonicContact NE-OE2 2.68Å; R94-E97 IonicContact NH1-OE1 3.74Å; R94-E97 IonicContact NH1-OE2 2.85Å; R94-E97 PolarHBondContact NH1-OE2 2.81Å; E97-W101 PolarHBondContact O-N 3.22Å; E97-W101 VanDerWaalsContact O-N 3.1Å; E97-K149 IonicContact OE1-NZ 3.82Å; E97-K149 PolarHBondContact OE1-NZ 3.04Å; E97-K149 IonicContact OE2-NZ 2.92Å; E97-F150 HydrophobicContact CG-CE1 4.3Å
98Y98.9Very high98.6Very high0 Ų061.1 Ų61.10%033%0.326CS..Hα-helixtrans-64-48.4176.5179.1-93.1000112R94 V95 H96 G100 W101 H102 L146 F150 L157 A165 A169R94-Y98 PolarHBondContact O-N 3.18Å; V95-Y98 PolarHBondContact O-N 3.41Å; H96-Y98 VanDerWaalsContact C-N 3.31Å; H96-Y98 PolarHBondContact O-N 3.23Å; Y98-G100 VanDerWaalsContact C-N 3.28Å; Y98-G100 PolarHBondContact O-N 3.39Å; Y98-W101 HydrophobicContact CD2-CE3 4.21Å; Y98-W101 AromaticContact CE2-CE3 3.89Å; Y98-W101 HydrophobicContact CE2-CE3 3.89Å; Y98-W101 AromaticContact CE2-CZ3 3.82Å; Y98-W101 HydrophobicContact CE2-CZ3 3.82Å; Y98-W101 PolarHBondContact O-N 3.45Å; Y98-H102 HydrophobicContact CD1-CB 4.14Å; Y98-H102 HydrophobicContact CE1-CB 3.71Å; Y98-H102 AromaticContact CE1-ND1 3.98Å; Y98-H102 AromaticContact CZ-ND1 3.98Å; Y98-H102 WeakPolarHBondContact O-CA 3.45Å; Y98-H102 WeakPolarHBondContact O-CB 3.41Å; Y98-H102 PolarHBondContact O-N 2.93Å; Y98-H102 PolarHBondContact OH-ND1 3.37Å; Y98-L146 HydrophobicContact CE2-CD1 3.55Å; Y98-F150 HydrophobicContact CD2-CB 4.33Å; Y98-F150 AromaticContact CD2-CD1 3.66Å; Y98-F150 HydrophobicContact CD2-CD1 3.66Å; Y98-F150 HydrophobicContact CD2-CD2 4.37Å; Y98-F150 AromaticContact CD2-CE1 3.98Å; Y98-F150 HydrophobicContact CD2-CE1 3.98Å; Y98-F150 AromaticContact CD2-CG 3.86Å; Y98-F150 HydrophobicContact CD2-CG 3.86Å; Y98-F150 HydrophobicContact CD2-CZ 4.47Å; Y98-F150 HydrophobicContact CE2-CG 4.41Å; Y98-F150 HydrophobicContact CG-CD1 4.44Å; Y98-L157 HydrophobicContact CD2-CB 4.43Å; Y98-L157 HydrophobicContact CD2-CD1 4.36Å; Y98-L157 HydrophobicContact CE1-CD1 4.44Å; Y98-L157 HydrophobicContact CE2-CD1 3.76Å; Y98-A165 VanDerWaalsContact CD1-CA 3.49Å; Y98-A165 HydrophobicContact CD1-CB 3.23Å; Y98-A165 HydrophobicContact CE1-CB 3.94Å; Y98-A165 WeakPolarHBondContact CE1-O 3.29Å; Y98-A165 HydrophobicContact CG-CB 3.62Å; Y98-A169 HydrophobicContact CE1-CB 4.18Å; Y98-A169 WeakPolarHBondContact OH-CA 3.44Å; Y98-A169 WeakPolarHBondContact OH-CB 3.13Å
99L98.9Very high98.6Very high19 Ų1958.2 Ų58.210%0.09931%0.311CS..Hα-helixtrans-62.9-35.1-176.9-69.2177.8000112.4V95 H96 A103 M168V95-L99 HydrophobicContact CG1-CD1 3.93Å; V95-L99 HydrophobicContact CG1-CG 4.27Å; V95-L99 VanDerWaalsContact O-CG 3.3Å; V95-L99 WeakPolarHBondContact O-CG 3.38Å; V95-L99 PolarHBondContact O-N 3.04Å; H96-L99 PolarHBondContact O-N 2.87Å; L99-A103 PolarHBondContact O-N 3.27Å; L99-A103 VanDerWaalsContact O-N 3.17Å; L99-M168 HydrophobicContact CD2-CB 4.17Å; L99-M168 HydrophobicContact CD2-CG 3.87Å
100G98.8Very high98.6Very high39 Ų3951.4 Ų51.440%0.40228%0.276SS..Hα-helixtrans-63.8-55.417200000111.7H96 Y98 H102 A103 D104H96-G100 PolarHBondContact O-N 3.11Å; Y98-G100 VanDerWaalsContact C-N 3.28Å; Y98-G100 PolarHBondContact O-N 3.39Å; G100-H102 VanDerWaalsContact C-N 3.28Å; G100-H102 PolarHBondContact O-N 3.4Å; G100-A103 WeakPolarHBondContact O-CB 3.35Å; G100-A103 PolarHBondContact O-N 3.36Å; G100-A103 VanDerWaalsContact O-N 3.14Å; G100-D104 PolarHBondContact O-N 3.42Å
101W98.8Very high98.6Very high44 Ų4444.5 Ų44.517%0.16725%0.245CC..Hα-helixtrans-61.6-36.4178.4175.285.5000113E97 Y98 A103 D104 C105 I106 W145 L146 F150E97-W101 PolarHBondContact O-N 3.22Å; E97-W101 VanDerWaalsContact O-N 3.1Å; Y98-W101 HydrophobicContact CD2-CE3 4.21Å; Y98-W101 AromaticContact CE2-CE3 3.89Å; Y98-W101 HydrophobicContact CE2-CE3 3.89Å; Y98-W101 AromaticContact CE2-CZ3 3.82Å; Y98-W101 HydrophobicContact CE2-CZ3 3.82Å; Y98-W101 PolarHBondContact O-N 3.45Å; W101-A103 VanDerWaalsContact C-N 3.32Å; W101-A103 PolarHBondContact O-N 2.98Å; W101-D104 PolarHBondContact O-N 2.97Å; W101-D104 VanDerWaalsContact O-N 3.14Å; W101-C105 HydrophobicContact CD2-CB 4.1Å; W101-C105 HydrophobicContact CH2-CB 4.29Å; W101-C105 HydrophobicContact CZ2-CB 3.66Å; W101-C105 PolarHBondContact NE1-SG 3.43Å; W101-C105 WeakPolarHBondContact O-CB 3.38Å; W101-C105 PolarHBondContact O-N 2.94Å; W101-I106 HydrophobicContact CE3-CG1 4.25Å; W101-I106 HydrophobicContact CH2-CD1 3.64Å; W101-I106 HydrophobicContact CH2-CG1 3.85Å; W101-I106 HydrophobicContact CZ3-CD1 3.79Å; W101-I106 HydrophobicContact CZ3-CG1 3.5Å; W101-I106 VanDerWaalsContact CZ3-CG1 3.5Å; W101-W145 HydrophobicContact CH2-CB 4.39Å; W101-W145 HydrophobicContact CZ2-CB 3.68Å; W101-W145 AromaticContact CZ2-CE3 3.96Å; W101-W145 HydrophobicContact CZ2-CE3 3.96Å; W101-L146 HydrophobicContact CH2-CB 4.24Å; W101-L146 HydrophobicContact CH2-CD1 4.39Å; W101-L146 HydrophobicContact CZ3-CD1 4.02Å; W101-F150 HydrophobicContact CB-CE2 4.3Å; W101-F150 HydrophobicContact CB-CZ 3.66Å; W101-F150 HydrophobicContact CD2-CD2 4.24Å; W101-F150 AromaticContact CD2-CE2 3.25Å; W101-F150 HydrophobicContact CD2-CE2 3.25Å; W101-F150 AromaticContact CD2-CZ 3.58Å; W101-F150 HydrophobicContact CD2-CZ 3.58Å; W101-F150 AromaticContact CE2-CE2 3.61Å; W101-F150 HydrophobicContact CE3-CD2 4.02Å; W101-F150 AromaticContact CE3-CE2 3.43Å; W101-F150 HydrophobicContact CE3-CE2 3.43Å; W101-F150 VanDerWaalsContact CE3-CE2 3.43Å; W101-F150 AromaticContact CE3-CZ 3.83Å; W101-F150 HydrophobicContact CE3-CZ 3.83Å; W101-F150 AromaticContact CG-CE2 3.65Å; W101-F150 HydrophobicContact CG-CE2 3.65Å; W101-F150 AromaticContact CG-CZ 3.49Å; W101-F150 HydrophobicContact CG-CZ 3.49Å; W101-F150 VanDerWaalsContact CG-CZ 3.49Å; W101-F150 HydrophobicContact CH2-CD2 4.38Å; W101-F150 HydrophobicContact CH2-CE2 4.21Å; W101-F150 HydrophobicContact CZ2-CE2 4.08Å; W101-F150 HydrophobicContact CZ3-CD2 4.1Å; W101-F150 AromaticContact CZ3-CE2 3.91Å; W101-F150 HydrophobicContact CZ3-CE2 3.91Å
102H98.8Very high98.6Very high5 Ų543.2 Ų43.22%0.02323%0.233CC..Hα-helixtrans-59-43.5175.716984.1000111.3Y98 G100 D104 I106 R107 M168 E172Y98-H102 HydrophobicContact CD1-CB 4.14Å; Y98-H102 HydrophobicContact CE1-CB 3.71Å; Y98-H102 AromaticContact CE1-ND1 3.98Å; Y98-H102 AromaticContact CZ-ND1 3.98Å; Y98-H102 WeakPolarHBondContact O-CA 3.45Å; Y98-H102 WeakPolarHBondContact O-CB 3.41Å; Y98-H102 PolarHBondContact O-N 2.93Å; Y98-H102 PolarHBondContact OH-ND1 3.37Å; G100-H102 VanDerWaalsContact C-N 3.28Å; G100-H102 PolarHBondContact O-N 3.4Å; H102-D104 PolarHBondContact O-N 3.43Å; H102-I106 WeakPolarHBondContact O-CA 3.5Å; H102-I106 WeakPolarHBondContact O-CB 3.35Å; H102-I106 PolarHBondContact O-N 3.3Å; H102-R107 PolarHBondContact O-N 3.16Å; H102-M168 PolarHBondContact CE1-O 2.72Å; H102-E172 VanDerWaalsContact CE1-CG 3.47Å; H102-E172 WeakPolarHBondContact CE1-CG 3.5Å
103A98.6Very high98.6Very high56 Ų5639.3 Ų39.346%0.46322%0.219SC..Hα-helixtrans-62.3-33.3176.900000112.4L99 G100 W101L99-A103 PolarHBondContact O-N 3.27Å; L99-A103 VanDerWaalsContact O-N 3.17Å; G100-A103 WeakPolarHBondContact O-CB 3.35Å; G100-A103 PolarHBondContact O-N 3.36Å; G100-A103 VanDerWaalsContact O-N 3.14Å; W101-A103 VanDerWaalsContact C-N 3.32Å; W101-A103 PolarHBondContact O-N 2.98Å
104D98.4Very high98.5Very high132 Ų13237 Ų3771%0.70620%0.2SC*.Hα-helixtrans-83.6-42.1-177.7-68-20000113.3G100 W101 H102G100-D104 PolarHBondContact O-N 3.42Å; W101-D104 PolarHBondContact O-N 2.97Å; W101-D104 VanDerWaalsContact O-N 3.14Å; H102-D104 PolarHBondContact O-N 3.43Å
105C98.3Very high98.5Very high28 Ų2833.1 Ų33.119%0.18919%0.185CC..Hα-helixtrans-108.5-29.8-166.1-69.20000113.9W101 T109W101-C105 HydrophobicContact CD2-CB 4.1Å; W101-C105 HydrophobicContact CH2-CB 4.29Å; W101-C105 HydrophobicContact CZ2-CB 3.66Å; W101-C105 PolarHBondContact NE1-SG 3.43Å; W101-C105 WeakPolarHBondContact O-CB 3.38Å; W101-C105 PolarHBondContact O-N 2.94Å; C105-T109 WeakPolarHBondContact O-CB 3.5Å; C105-T109 PolarHBondContact O-OG1 2.85Å
106I98.6Very high98.4Very high0 Ų034.7 Ų34.70%020%0.195CC..THydrogen-bonded Turntrans-99.7-54.7-177.1-56.7-64.1000110.1W101 H102 G108 T109 F110 A142 E172 L173W101-I106 HydrophobicContact CE3-CG1 4.25Å; W101-I106 HydrophobicContact CH2-CD1 3.64Å; W101-I106 HydrophobicContact CH2-CG1 3.85Å; W101-I106 HydrophobicContact CZ3-CD1 3.79Å; W101-I106 HydrophobicContact CZ3-CG1 3.5Å; W101-I106 VanDerWaalsContact CZ3-CG1 3.5Å; H102-I106 WeakPolarHBondContact O-CA 3.5Å; H102-I106 WeakPolarHBondContact O-CB 3.35Å; H102-I106 PolarHBondContact O-N 3.3Å; I106-G108 PolarHBondContact O-N 3.36Å; I106-T109 PolarHBondContact O-N 2.97Å; I106-F110 HydrophobicContact CB-CD2 4.23Å; I106-F110 HydrophobicContact CB-CE2 4.39Å; I106-F110 HydrophobicContact CD1-CD2 4.01Å; I106-F110 HydrophobicContact CD1-CE2 3.34Å; I106-F110 HydrophobicContact CD1-CZ 3.65Å; I106-F110 HydrophobicContact CG1-CE2 4.43Å; I106-F110 HydrophobicContact CG2-CB 4.47Å; I106-F110 HydrophobicContact CG2-CD2 3.76Å; I106-F110 HydrophobicContact CG2-CE2 4.2Å; I106-F110 HydrophobicContact CG2-CG 4.07Å; I106-F110 WeakPolarHBondContact O-CD2 3.46Å; I106-F110 PolarHBondContact O-N 2.92Å; I106-F110 VanDerWaalsContact O-N 3.11Å; I106-A142 HydrophobicContact CD1-CB 3.99Å; I106-E172 HydrophobicContact CG2-CB 3.47Å; I106-E172 VanDerWaalsContact CG2-CB 3.47Å; I106-E172 HydrophobicContact CG2-CG 3.83Å; I106-L173 HydrophobicContact CG2-CD1 4.49Å
107R98.3Very high98.3Very high107 Ų10734.3 Ų34.340%0.40419%0.193SC..THydrogen-bonded Turntrans-64.4123.9-174.9-179.160.6-171.4154.3-0.1110.4H102 T109 E172H102-R107 PolarHBondContact O-N 3.16Å; R107-T109 VanDerWaalsContact C-N 3.26Å; R107-T109 PolarHBondContact O-N 3.44Å; R107-E172 WeakPolarHBondContact CD-OE1 3.33Å; R107-E172 IonicContact CZ-OE1 2.81Å; R107-E172 IonicContact NE-OE1 3.94Å; R107-E172 IonicContact NH1-OE1 3.57Å; R107-E172 PolarHBondContact NH1-OE1 2.86Å; R107-E172 IonicContact NH1-OE2 3.88Å
108G96.8Very high98.2Very high29 Ų2931.3 Ų31.330%0.29918%0.179SC..THydrogen-bonded Turntrans88.8-22.4-177.300000114.1I106 V112 R239I106-G108 PolarHBondContact O-N 3.36Å; G108-V112 WeakPolarHBondContact O-CG2 3.39Å; G108-R239 PolarHBondContact O-NH2 3.05Å
109T98.7Very high98.1Very high29 Ų2932.2 Ų32.218%0.17818%0.184CC..THydrogen-bonded Turntrans-82.5-51.8172.7-57.20000110.9C105 I106 R107 G111 V112 N135 A138 I139C105-T109 WeakPolarHBondContact O-CB 3.5Å; C105-T109 PolarHBondContact O-OG1 2.85Å; I106-T109 PolarHBondContact O-N 2.97Å; R107-T109 VanDerWaalsContact C-N 3.26Å; R107-T109 PolarHBondContact O-N 3.44Å; T109-G111 VanDerWaalsContact C-N 3.28Å; T109-G111 PolarHBondContact O-N 3.21Å; T109-V112 PolarHBondContact O-N 3.4Å; T109-N135 PolarHBondContact O-ND2 2.84Å; T109-A138 HydrophobicContact CG2-CB 4.01Å; T109-I139 HydrophobicContact CG2-CG1 3.86Å
110F98.6Very high98Very high0 Ų031.3 Ų31.30%018%0.179CC..THydrogen-bonded Turntrans-76.8-14.2-172.8-75.5-114.3000113.1I106 I139 A142 L143 E172 L173 P176 L183I106-F110 HydrophobicContact CB-CD2 4.23Å; I106-F110 HydrophobicContact CB-CE2 4.39Å; I106-F110 HydrophobicContact CD1-CD2 4.01Å; I106-F110 HydrophobicContact CD1-CE2 3.34Å; I106-F110 HydrophobicContact CD1-CZ 3.65Å; I106-F110 HydrophobicContact CG1-CE2 4.43Å; I106-F110 HydrophobicContact CG2-CB 4.47Å; I106-F110 HydrophobicContact CG2-CD2 3.76Å; I106-F110 HydrophobicContact CG2-CE2 4.2Å; I106-F110 HydrophobicContact CG2-CG 4.07Å; I106-F110 WeakPolarHBondContact O-CD2 3.46Å; I106-F110 PolarHBondContact O-N 2.92Å; I106-F110 VanDerWaalsContact O-N 3.11Å; F110-I139 HydrophobicContact CD1-CG2 4.47Å; F110-I139 HydrophobicContact CD2-CG1 4.37Å; F110-I139 HydrophobicContact CE1-CG2 3.9Å; F110-I139 HydrophobicContact CE2-CG1 4.33Å; F110-I139 HydrophobicContact CZ-CB 4.43Å; F110-I139 HydrophobicContact CZ-CG1 4.48Å; F110-I139 HydrophobicContact CZ-CG2 3.99Å; F110-A142 HydrophobicContact CE2-CB 3.77Å; F110-A142 HydrophobicContact CZ-CB 4.03Å; F110-L143 HydrophobicContact CE1-CD2 3.88Å; F110-L143 HydrophobicContact CE1-CG 4.12Å; F110-L143 HydrophobicContact CZ-CD2 4.07Å; F110-L143 HydrophobicContact CZ-CG 4.03Å; F110-E172 HydrophobicContact CB-CB 4.43Å; F110-L173 HydrophobicContact CD1-CD1 3.77Å; F110-L173 HydrophobicContact CD1-CG 4.05Å; F110-L173 HydrophobicContact CE1-CD1 3.58Å; F110-L173 HydrophobicContact CE1-CG 3.83Å; F110-L173 HydrophobicContact CZ-CD1 4.27Å; F110-P176 HydrophobicContact CB-CG 4.19Å; F110-P176 HydrophobicContact CD1-CG 4.15Å; F110-P176 VanDerWaalsContact O-CD 3.25Å; F110-P176 WeakPolarHBondContact O-CD 3.39Å; F110-P176 WeakPolarHBondContact O-CG 3.31Å; F110-L183 HydrophobicContact CD1-CD1 4.22Å; F110-L183 HydrophobicContact CE1-CD1 4.18Å
111G98.2Very high97.8Very high4 Ų432.6 Ų32.64%0.04118%0.181CC..THydrogen-bonded Turntrans-79.4-16.417300000114.4T109 M114 W115T109-G111 VanDerWaalsContact C-N 3.28Å; T109-G111 PolarHBondContact O-N 3.21Å; G111-M114 VanDerWaalsContact O-CB 3.32Å; G111-M114 WeakPolarHBondContact O-CB 3.33Å; G111-M114 PolarHBondContact O-N 3.24Å; G111-W115 VanDerWaalsContact O-CD1 3.31Å
112V98.6Very high97.6Very high2 Ų232.8 Ų32.81%0.01219%0.185CC..Hα-helixtrans-60.3-41.8-171.8170.30000113.5G108 T109 M114 W115 V116 N135 I243G108-V112 WeakPolarHBondContact O-CG2 3.39Å; T109-V112 PolarHBondContact O-N 3.4Å; V112-M114 PolarHBondContact O-N 2.97Å; V112-M114 VanDerWaalsContact O-N 3.1Å; V112-W115 WeakPolarHBondContact O-CA 3.33Å; V112-W115 WeakPolarHBondContact O-CB 3.08Å; V112-W115 PolarHBondContact O-N 2.91Å; V112-V116 HydrophobicContact CG1-CG2 3.88Å; V112-V116 WeakPolarHBondContact O-CG2 3.38Å; V112-V116 PolarHBondContact O-N 2.83Å; V112-N135 HydrophobicContact CB-CB 4.42Å; V112-N135 WeakPolarHBondContact CB-ND2 3.37Å; V112-N135 WeakPolarHBondContact CB-OD1 3.35Å; V112-N135 HydrophobicContact CG1-CB 3.97Å; V112-I243 HydrophobicContact CG1-CD1 4.12Å; V112-I243 HydrophobicContact CG1-CG2 4.11Å; V112-I243 HydrophobicContact CG2-CG1 4.27Å; V112-I243 HydrophobicContact CG2-CG2 4.44Å
113P98.4Very high97.5Very high0 Ų033.7 Ų33.70%019%0.189CC..Hα-helixtrans-53.7-34.1177.5-31.739.5000114.2W115 V116 Q117 I139 P176 V179 Y181P113-W115 PolarHBondContact O-N 3.49Å; P113-V116 PolarHBondContact O-N 2.84Å; P113-Q117 PolarHBondContact O-N 3.23Å; P113-I139 HydrophobicContact CG-CD1 4.02Å; P113-P176 HydrophobicContact CG-CB 4.16Å; P113-P176 HydrophobicContact CG-CG 4.21Å; P113-V179 HydrophobicContact CB-CG2 3.54Å; P113-Y181 HydrophobicContact CB-CD2 4.24Å; P113-Y181 HydrophobicContact CB-CE2 3.82Å; P113-Y181 HydrophobicContact CG-CE1 4.28Å; P113-Y181 HydrophobicContact CG-CE2 4.15Å
114M97.6Very high97.3Very high3 Ų334.4 Ų34.42%0.01520%0.202CC..Hα-helixtrans-63.2-39.8173.5-173.95856.200112.7G111 V112 V118 L119 Q175 V179 I213 I216G111-M114 VanDerWaalsContact O-CB 3.32Å; G111-M114 WeakPolarHBondContact O-CB 3.33Å; G111-M114 PolarHBondContact O-N 3.24Å; V112-M114 PolarHBondContact O-N 2.97Å; V112-M114 VanDerWaalsContact O-N 3.1Å; M114-V118 WeakPolarHBondContact O-CA 3.2Å; M114-V118 WeakPolarHBondContact O-CB 3.37Å; M114-V118 PolarHBondContact O-N 3Å; M114-V118 HydrophobicContact SD-CB 3.74Å; M114-V118 HydrophobicContact SD-CG1 4.26Å; M114-V118 HydrophobicContact SD-CG2 3.8Å; M114-L119 HydrophobicContact CG-CD1 3.88Å; M114-L119 HydrophobicContact CG-CG 4.02Å; M114-L119 PolarHBondContact O-N 2.93Å; M114-Q175 HydrophobicContact CB-CG 4.34Å; M114-Q175 HydrophobicContact CE-CG 4.27Å; M114-V179 HydrophobicContact CE-CG1 3.38Å; M114-V179 HydrophobicContact SD-CG1 4.14Å; M114-I213 HydrophobicContact CE-CD1 3.3Å; M114-I216 HydrophobicContact CE-CG2 3.86Å; M114-I216 HydrophobicContact SD-CG1 4.2Å; M114-I216 HydrophobicContact SD-CG2 4.21Å
115W97.9Very high97.2Very high45 Ų4530 Ų3017%0.1718%0.18CC..Iπ-helixtrans-70.6-36.5177.5-69.992.5000111.9G111 V112 P113 L119 G120 M236 R239 I240 I243G111-W115 VanDerWaalsContact O-CD1 3.31Å; V112-W115 WeakPolarHBondContact O-CA 3.33Å; V112-W115 WeakPolarHBondContact O-CB 3.08Å; V112-W115 PolarHBondContact O-N 2.91Å; P113-W115 PolarHBondContact O-N 3.49Å; W115-L119 HydrophobicContact CD2-CB 4.07Å; W115-L119 HydrophobicContact CD2-CD1 3.86Å; W115-L119 HydrophobicContact CE3-CB 3.61Å; W115-L119 HydrophobicContact CE3-CD1 4.05Å; W115-L119 HydrophobicContact CG-CD1 4.47Å; W115-L119 HydrophobicContact CH2-CD1 3.98Å; W115-L119 HydrophobicContact CZ2-CD1 3.75Å; W115-L119 HydrophobicContact CZ3-CB 3.88Å; W115-L119 HydrophobicContact CZ3-CD1 4.11Å; W115-G120 WeakPolarHBondContact O-CA 3.31Å; W115-G120 PolarHBondContact O-N 2.78Å; W115-M236 HydrophobicContact CH2-CB 4.23Å; W115-M236 HydrophobicContact CH2-CG 3.92Å; W115-M236 HydrophobicContact CZ3-CB 3.77Å; W115-M236 HydrophobicContact CZ3-CE 4.04Å; W115-M236 HydrophobicContact CZ3-CG 3.81Å; W115-R239 HydrophobicContact CD2-CG 3.92Å; W115-R239 VanDerWaalsContact CE2-CG 3.44Å; W115-R239 HydrophobicContact CE3-CG 4.34Å; W115-R239 HydrophobicContact CH2-CB 4.03Å; W115-R239 HydrophobicContact CH2-CG 3.94Å; W115-R239 HydrophobicContact CZ2-CB 4.07Å; W115-R239 HydrophobicContact CZ2-CG 3.48Å; W115-R239 VanDerWaalsContact CZ2-CG 3.48Å; W115-R239 HydrophobicContact CZ3-CB 4.34Å; W115-R239 HydrophobicContact CZ3-CG 4.34Å; W115-I240 HydrophobicContact CE3-CD1 4.11Å; W115-I240 HydrophobicContact CE3-CG1 3.74Å; W115-I240 HydrophobicContact CZ3-CG1 4.35Å; W115-I243 HydrophobicContact CB-CD1 4.33Å
116V97.9Very high97.2Very high34 Ų3436.8 Ų36.821%0.20621%0.209CC..Iπ-helixtrans-66.7-49.7177.8177.20000110.9V112 P113 P121 V127 V132V112-V116 HydrophobicContact CG1-CG2 3.88Å; V112-V116 WeakPolarHBondContact O-CG2 3.38Å; V112-V116 PolarHBondContact O-N 2.83Å; P113-V116 PolarHBondContact O-N 2.84Å; V116-P121 WeakPolarHBondContact O-CD 3.37Å; V116-P121 WeakPolarHBondContact O-CG 3.4Å; V116-V127 HydrophobicContact CG2-CB 3.94Å; V116-V127 HydrophobicContact CG2-CG1 4.11Å; V116-V127 HydrophobicContact CG2-CG2 3.95Å; V116-V132 HydrophobicContact CG1-CG1 4.48Å; V116-V132 HydrophobicContact CG1-CG2 3.8Å; V116-V132 HydrophobicContact CG2-CG2 3.9Å
117Q97.1Very high97.1Very high77 Ų7737.5 Ų37.536%0.3621%0.213SC..Iπ-helixtrans-92.8-25.8-169.2-64.3-17430.200114.8P113 V179P113-Q117 PolarHBondContact O-N 3.23Å; Q117-V179 PolarHBondContact NE2-O 3.02Å; Q117-V179 VanDerWaalsContact NE2-O 3.13Å; Q117-V179 PolarHBondContact OE1-O 3.05Å
118V96.6Very high97.1Very high5 Ų535.9 Ų35.93%0.0322%0.216CC..Iπ-helixtrans-125-63.7-170.6-177.60000112M114 P121 L122 V179 I216 L217 A220 L225M114-V118 WeakPolarHBondContact O-CA 3.2Å; M114-V118 WeakPolarHBondContact O-CB 3.37Å; M114-V118 PolarHBondContact O-N 3Å; M114-V118 HydrophobicContact SD-CB 3.74Å; M114-V118 HydrophobicContact SD-CG1 4.26Å; M114-V118 HydrophobicContact SD-CG2 3.8Å; V118-P121 WeakPolarHBondContact O-CD 3.44Å; V118-L122 WeakPolarHBondContact O-CB 3.24Å; V118-L122 PolarHBondContact O-N 3.34Å; V118-L122 VanDerWaalsContact O-N 3.09Å; V118-V179 HydrophobicContact CG2-CG1 4.49Å; V118-I216 HydrophobicContact CG1-CG1 4.14Å; V118-L217 HydrophobicContact CG2-CD2 3.87Å; V118-A220 HydrophobicContact CG1-CB 4.1Å; V118-A220 HydrophobicContact CG2-CB 4.4Å; V118-L225 HydrophobicContact CG1-CD1 3.54Å
119L96.2Very high97.1Very high19 Ų1940.6 Ų40.610%0.09923%0.23CC..Iπ-helixtrans-74.6-36.4-166.4-61.5175.5000113.7I36 M114 W115 M236I36-L119 HydrophobicContact CD1-CD2 4.44Å; I36-L119 HydrophobicContact CG1-CD2 4.42Å; M114-L119 HydrophobicContact CG-CD1 3.88Å; M114-L119 HydrophobicContact CG-CG 4.02Å; M114-L119 PolarHBondContact O-N 2.93Å; W115-L119 HydrophobicContact CD2-CB 4.07Å; W115-L119 HydrophobicContact CD2-CD1 3.86Å; W115-L119 HydrophobicContact CE3-CB 3.61Å; W115-L119 HydrophobicContact CE3-CD1 4.05Å; W115-L119 HydrophobicContact CG-CD1 4.47Å; W115-L119 HydrophobicContact CH2-CD1 3.98Å; W115-L119 HydrophobicContact CZ2-CD1 3.75Å; W115-L119 HydrophobicContact CZ3-CB 3.88Å; W115-L119 HydrophobicContact CZ3-CD1 4.11Å; L119-M236 HydrophobicContact CB-CE 4.03Å; L119-M236 WeakPolarHBondContact O-CE 3.47Å
120G96.4Very high97.1Very high0 Ų045.5 Ų45.50%025%0.251CS..Hα-helixtrans-63.4-55.2172.800000111.9W115 L122 I123 G124 V125W115-G120 WeakPolarHBondContact O-CA 3.31Å; W115-G120 PolarHBondContact O-N 2.78Å; G120-L122 PolarHBondContact O-N 3.41Å; G120-L122 VanDerWaalsContact O-N 3.16Å; G120-I123 CarbonylContact O-C 2.87Å; G120-I123 VanDerWaalsContact O-CG1 3.26Å; G120-I123 WeakPolarHBondContact O-CG1 3.42Å; G120-I123 PolarHBondContact O-N 3.08Å; G120-G124 PolarHBondContact O-N 3.34Å; G120-V125 CarbonylContact C-O 3.51Å; G120-V125 WeakPolarHBondContact CA-O 3.38Å; G120-V125 PolarHBondContact O-N 2.81Å; G120-V125 VanDerWaalsContact O-O 3.11Å
121P96.1Very high97.1Very high66 Ų6647.8 Ų47.843%0.42926%0.261SS..Hα-helixtrans-54.4-33.8176.3-30.537000114V116 V118 I123 G124V116-P121 WeakPolarHBondContact O-CD 3.37Å; V116-P121 WeakPolarHBondContact O-CG 3.4Å; V118-P121 WeakPolarHBondContact O-CD 3.44Å; P121-I123 PolarHBondContact O-N 3.1Å; P121-G124 PolarHBondContact O-N 3.42Å
122L94.6Very high97.1Very high48 Ų4848 Ų4825%0.25126%0.262SS..Hα-helixtrans-60.1-27.4177.3-171.863.3000113.6I36 V118 G120 L225 P228I36-L122 HydrophobicContact CG2-CD2 3.72Å; V118-L122 WeakPolarHBondContact O-CB 3.24Å; V118-L122 PolarHBondContact O-N 3.34Å; V118-L122 VanDerWaalsContact O-N 3.09Å; G120-L122 PolarHBondContact O-N 3.41Å; G120-L122 VanDerWaalsContact O-N 3.16Å; L122-L225 HydrophobicContact CD1-CB 4.21Å; L122-P228 HydrophobicContact CD2-CG 3.63Å; L122-P228 HydrophobicContact CG-CG 3.96Å
123I94.9Very high97Very high23 Ų2351.4 Ų51.412%0.11828%0.278CS..THydrogen-bonded Turntrans-110.215.7175.162164.6000112.7G120 P121 V125 P228 Y233 M236 L237 I240G120-I123 CarbonylContact O-C 2.87Å; G120-I123 VanDerWaalsContact O-CG1 3.26Å; G120-I123 WeakPolarHBondContact O-CG1 3.42Å; G120-I123 PolarHBondContact O-N 3.08Å; P121-I123 PolarHBondContact O-N 3.1Å; I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 HydrophobicContact CD1-CB 4.44Å; I123-V125 HydrophobicContact CD1-CG2 3.98Å; I123-V125 HydrophobicContact CG1-CB 4.23Å; I123-V125 HydrophobicContact CG1-CG2 3.97Å; I123-V125 PolarHBondContact O-N 2.62Å; I123-P228 HydrophobicContact CG2-CG 4.01Å; I123-Y233 HydrophobicContact CB-CE2 4.4Å; I123-Y233 HydrophobicContact CG2-CD1 4.14Å; I123-Y233 HydrophobicContact CG2-CE1 3.81Å; I123-Y233 HydrophobicContact CG2-CE2 4.3Å; I123-M236 HydrophobicContact CD1-CB 3.72Å; I123-M236 HydrophobicContact CD1-CE 4.21Å; I123-M236 HydrophobicContact CD1-SD 4.49Å; I123-M236 HydrophobicContact CG1-CE 4.21Å; I123-M236 HydrophobicContact CG2-CE 3.68Å; I123-M236 HydrophobicContact CG2-SD 3.78Å; I123-L237 HydrophobicContact CD1-CD2 4.11Å; I123-L237 HydrophobicContact CD1-CG 4.3Å; I123-I240 HydrophobicContact CD1-CD1 4.18Å
124G95.4Very high97.1Very high71 Ų7156.4 Ų56.473%0.73230%0.296SS*.THydrogen-bonded Turntrans7221.9178.200000114.8G120 P121G120-G124 PolarHBondContact O-N 3.34Å; P121-G124 PolarHBondContact O-N 3.42Å
125V96.9Very high97.1Very high39 Ų3956.7 Ų56.724%0.23630%0.298CS..  trans-112.2126.8-179.2179.80000110.2G120 I123 L237 I240G120-V125 CarbonylContact C-O 3.51Å; G120-V125 WeakPolarHBondContact CA-O 3.38Å; G120-V125 PolarHBondContact O-N 2.81Å; G120-V125 VanDerWaalsContact O-O 3.11Å; I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 HydrophobicContact CD1-CB 4.44Å; I123-V125 HydrophobicContact CD1-CG2 3.98Å; I123-V125 HydrophobicContact CG1-CB 4.23Å; I123-V125 HydrophobicContact CG1-CG2 3.97Å; I123-V125 PolarHBondContact O-N 2.62Å; V125-L237 HydrophobicContact CG2-CD2 3.73Å; V125-I240 HydrophobicContact CB-CD1 4.13Å; V125-I240 HydrophobicContact CG1-CD1 3.95Å; V125-I240 HydrophobicContact CG1-CG2 4Å
126Q96.9Very high97.1Very high172 Ų17258.7 Ų58.780%0.80431%0.306SS*.PPolyproline II helixtrans-100.6139.7173.5-67-175.5-11.900110.6
127V97.3Very high97.2Very high15 Ų1561.5 Ų61.59%0.09132%0.323CS..PPolyproline II helixtrans-82.6130172.6-178.70000108.1V116 K131 V132 I240 I243V116-V127 HydrophobicContact CG2-CB 3.94Å; V116-V127 HydrophobicContact CG2-CG1 4.11Å; V116-V127 HydrophobicContact CG2-CG2 3.95Å; V127-K131 HydrophobicContact CG1-CB 3.94Å; V127-V132 HydrophobicContact CB-CG2 4.41Å; V127-V132 HydrophobicContact CG1-CG2 4.12Å; V127-I240 HydrophobicContact CG2-CG2 4.19Å; V127-I243 HydrophobicContact CG1-CD1 4.17Å; V127-I243 HydrophobicContact CG2-CD1 3.94Å
128P97.7Very high97.2Very high72 Ų7259.8 Ų59.847%0.46832%0.322SS..PPolyproline II helixtrans-58.9140.1177.9-24.633.2000112.8E130 K131 V132P128-E130 VanDerWaalsContact C-N 3.26Å; P128-E130 PolarHBondContact O-N 3.1Å; P128-K131 HydrophobicContact CB-CG 4.38Å; P128-K131 HydrophobicContact CG-CD 4.46Å; P128-K131 WeakPolarHBondContact O-CB 3.26Å; P128-K131 PolarHBondContact O-N 2.85Å; P128-V132 PolarHBondContact O-N 3.46Å
129E97.3Very high97.3Very high128 Ų12859.7 Ų59.760%0.59832%0.321SS*.Hα-helixtrans-56.2-38.1-176.1-16860.5-157.300113.1K131 V132 E133E129-K131 PolarHBondContact O-N 2.92Å; E129-V132 WeakPolarHBondContact O-CA 3.27Å; E129-V132 WeakPolarHBondContact O-CB 3.15Å; E129-V132 PolarHBondContact O-N 2.85Å; E129-E133 PolarHBondContact O-N 3.19Å
130E98.1Very high97.4Very high132 Ų13262 Ų6262%0.61733%0.334SS*.Hα-helixtrans-55.1-39.9175.2-172.4-165.3150.800112.2P128 R134P128-E130 VanDerWaalsContact C-N 3.26Å; P128-E130 PolarHBondContact O-N 3.1Å; E130-R134 VanDerWaalsContact O-CB 3.3Å; E130-R134 WeakPolarHBondContact O-CB 3.4Å; E130-R134 PolarHBondContact O-N 3.47Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NH1 2.77Å; E130-R134 IonicContact OE1-NH2 2.81Å; E130-R134 PolarHBondContact OE1-NH2 3.16Å
131K98.3Very high97.5Very high49 Ų4966.2 Ų66.221%0.21335%0.354CS..Hα-helixtrans-73.3-33.3178.2-60.3-164.6172.1-167.10112V127 P128 E129 N135 I243 P244V127-K131 HydrophobicContact CG1-CB 3.94Å; P128-K131 HydrophobicContact CB-CG 4.38Å; P128-K131 HydrophobicContact CG-CD 4.46Å; P128-K131 WeakPolarHBondContact O-CB 3.26Å; P128-K131 PolarHBondContact O-N 2.85Å; E129-K131 PolarHBondContact O-N 2.92Å; K131-N135 VanDerWaalsContact O-CB 3.28Å; K131-N135 WeakPolarHBondContact O-CB 3.37Å; K131-N135 PolarHBondContact O-N 2.68Å; K131-I243 HydrophobicContact CB-CG2 4Å; K131-I243 HydrophobicContact CD-CB 4.35Å; K131-I243 HydrophobicContact CD-CG2 4.2Å; K131-I243 WeakPolarHBondContact CD-O 3.38Å; K131-I243 WeakPolarHBondContact CE-O 3.43Å; K131-I243 PolarHBondContact NZ-O 2.88Å; K131-P244 WeakPolarHBondContact CE-OXT 3.46Å; K131-P244 WeakPolarHBondContact CG-O 3.33Å
132V98.3Very high97.7Very high7 Ų763.2 Ų63.24%0.04233%0.334CS..Hα-helixtrans-63.1-49.8175-178.60000109.8V116 V127 P128 E129 N135 R136V116-V132 HydrophobicContact CG1-CG1 4.48Å; V116-V132 HydrophobicContact CG1-CG2 3.8Å; V116-V132 HydrophobicContact CG2-CG2 3.9Å; V127-V132 HydrophobicContact CB-CG2 4.41Å; V127-V132 HydrophobicContact CG1-CG2 4.12Å; P128-V132 PolarHBondContact O-N 3.46Å; E129-V132 WeakPolarHBondContact O-CA 3.27Å; E129-V132 WeakPolarHBondContact O-CB 3.15Å; E129-V132 PolarHBondContact O-N 2.85Å; V132-N135 PolarHBondContact O-N 2.88Å; V132-R136 PolarHBondContact O-N 3.42Å
133E98.2Very high97.9Very high75 Ų7560.9 Ų60.935%0.3532%0.322SS..Hα-helixtrans-70.9-35-179.3-69.3-55.2118.300112.9E129 N135 R136 T137E129-E133 PolarHBondContact O-N 3.19Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 3.47Å; E133-R136 PolarHBondContact O-N 3.05Å; E133-R136 IonicContact OE1-CZ 3.98Å; E133-R136 IonicContact OE1-NE 3.29Å; E133-R136 PolarHBondContact OE1-NE 2.99Å; E133-R136 IonicContact OE1-NH2 2.75Å; E133-R136 PolarHBondContact OE1-NH2 2.71Å; E133-R136 IonicContact OE2-NE 3.61Å; E133-R136 PolarHBondContact OE2-NE 3.15Å; E133-T137 PolarHBondContact O-N 2.95Å; E133-T137 PolarHBondContact O-OG1 3.14Å
134R98.6Very high98.1Very high104 Ų10463.3 Ų63.339%0.39233%0.333SS..Hα-helixtrans-60.4-44.7169.4-176.9-178.6-67.1128.73.3111.2E130 T137 A138 P244E130-R134 VanDerWaalsContact O-CB 3.3Å; E130-R134 WeakPolarHBondContact O-CB 3.4Å; E130-R134 PolarHBondContact O-N 3.47Å; E130-R134 IonicContact OE1-CZ 3.58Å; E130-R134 IonicContact OE1-NH1 2.77Å; E130-R134 IonicContact OE1-NH2 2.81Å; E130-R134 PolarHBondContact OE1-NH2 3.16Å; R134-T137 PolarHBondContact O-N 3.01Å; R134-A138 WeakPolarHBondContact O-CB 3.37Å; R134-A138 PolarHBondContact O-N 2.93Å; R134-P244 PolarHBondContact NH1-O 3.39Å; R134-P244 PolarHBondContact NH1-OXT 2.6Å
135N98.7Very high98.2Very high10 Ų1065.4 Ų65.45%0.05332%0.319CS..Hα-helixtrans-65.6-40.8177.2177-108.3000112.2T109 V112 K131 V132 E133 T137 A138 I139T109-N135 PolarHBondContact O-ND2 2.84Å; V112-N135 HydrophobicContact CB-CB 4.42Å; V112-N135 WeakPolarHBondContact CB-ND2 3.37Å; V112-N135 WeakPolarHBondContact CB-OD1 3.35Å; V112-N135 HydrophobicContact CG1-CB 3.97Å; K131-N135 VanDerWaalsContact O-CB 3.28Å; K131-N135 WeakPolarHBondContact O-CB 3.37Å; K131-N135 PolarHBondContact O-N 2.68Å; V132-N135 PolarHBondContact O-N 2.88Å; E133-N135 VanDerWaalsContact C-N 3.34Å; E133-N135 PolarHBondContact O-N 3.47Å; N135-T137 VanDerWaalsContact C-N 3.34Å; N135-T137 PolarHBondContact O-N 3.41Å; N135-A138 WeakPolarHBondContact O-CB 3.45Å; N135-A138 PolarHBondContact O-N 3.16Å; N135-A138 VanDerWaalsContact O-N 3.16Å; N135-I139 WeakPolarHBondContact O-CG1 3.32Å; N135-I139 PolarHBondContact O-N 2.73Å; N135-I139 WeakPolarHBondContact OD1-CD1 3.35Å
136R98.4Very high98.3Very high87 Ų8763.6 Ų63.633%0.32831%0.307SS..Hα-helixtrans-56.1-49.6174-172.5-170.2-55.3-74.5-2.9111.1V132 E133 A138 I139 D140V132-R136 PolarHBondContact O-N 3.42Å; E133-R136 PolarHBondContact O-N 3.05Å; E133-R136 IonicContact OE1-CZ 3.98Å; E133-R136 IonicContact OE1-NE 3.29Å; E133-R136 PolarHBondContact OE1-NE 2.99Å; E133-R136 IonicContact OE1-NH2 2.75Å; E133-R136 PolarHBondContact OE1-NH2 2.71Å; E133-R136 IonicContact OE2-NE 3.61Å; E133-R136 PolarHBondContact OE2-NE 3.15Å; R136-A138 VanDerWaalsContact C-N 3.31Å; R136-A138 PolarHBondContact O-N 2.75Å; R136-I139 WeakPolarHBondContact O-CB 3.33Å; R136-I139 PolarHBondContact O-N 2.81Å; R136-D140 PolarHBondContact O-N 2.83Å
137T98.4Very high98.4Very high92 Ų9256 Ų5656%0.56427%0.272SS*.Hα-helixtrans-58.1-42.9175.8-55.40000111.8E133 R134 N135 D140 Q141E133-T137 PolarHBondContact O-N 2.95Å; E133-T137 PolarHBondContact O-OG1 3.14Å; R134-T137 PolarHBondContact O-N 3.01Å; N135-T137 VanDerWaalsContact C-N 3.34Å; N135-T137 PolarHBondContact O-N 3.41Å; T137-D140 PolarHBondContact O-N 3.3Å; T137-Q141 WeakPolarHBondContact O-CB 3.17Å; T137-Q141 PolarHBondContact O-N 3.39Å
138A98.7Very high98.4Very high42 Ų4259.5 Ų59.535%0.34729%0.29SS..Hα-helixtrans-65.5-39.2177.500000112.9T109 R134 N135 R136 A142T109-A138 HydrophobicContact CG2-CB 4.01Å; R134-A138 WeakPolarHBondContact O-CB 3.37Å; R134-A138 PolarHBondContact O-N 2.93Å; N135-A138 WeakPolarHBondContact O-CB 3.45Å; N135-A138 PolarHBondContact O-N 3.16Å; N135-A138 VanDerWaalsContact O-N 3.16Å; R136-A138 VanDerWaalsContact C-N 3.31Å; R136-A138 PolarHBondContact O-N 2.75Å; A138-A142 WeakPolarHBondContact O-CB 3.11Å; A138-A142 PolarHBondContact O-N 3.03Å
139I98.8Very high98.4Very high2 Ų260.9 Ų60.91%0.0129%0.289CS..Hα-helixtrans-60.5-49.8173.1-73.2172.4000109.8T109 F110 P113 N135 R136 Q141 A142 L143 L183T109-I139 HydrophobicContact CG2-CG1 3.86Å; F110-I139 HydrophobicContact CD1-CG2 4.47Å; F110-I139 HydrophobicContact CD2-CG1 4.37Å; F110-I139 HydrophobicContact CE1-CG2 3.9Å; F110-I139 HydrophobicContact CE2-CG1 4.33Å; F110-I139 HydrophobicContact CZ-CB 4.43Å; F110-I139 HydrophobicContact CZ-CG1 4.48Å; F110-I139 HydrophobicContact CZ-CG2 3.99Å; P113-I139 HydrophobicContact CG-CD1 4.02Å; N135-I139 WeakPolarHBondContact O-CG1 3.32Å; N135-I139 PolarHBondContact O-N 2.73Å; N135-I139 WeakPolarHBondContact OD1-CD1 3.35Å; R136-I139 WeakPolarHBondContact O-CB 3.33Å; R136-I139 PolarHBondContact O-N 2.81Å; I139-Q141 VanDerWaalsContact C-N 3.33Å; I139-Q141 PolarHBondContact O-N 3.11Å; I139-A142 PolarHBondContact O-N 3.05Å; I139-L143 HydrophobicContact CG2-CD1 3.89Å; I139-L143 HydrophobicContact CG2-CG 4.29Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.43Å; I139-L143 PolarHBondContact O-N 3.18Å; I139-L183 HydrophobicContact CG2-CD2 3.94Å
140D98.5Very high98.5Very high69 Ų6955.2 Ų55.237%0.36926%0.262SS..Hα-helixtrans-62.1-40.5-178.8-78.5-36.5000112.5R136 T137 L143 Q144 R187R136-D140 PolarHBondContact O-N 2.83Å; T137-D140 PolarHBondContact O-N 3.3Å; D140-L143 PolarHBondContact O-N 2.94Å; D140-Q144 PolarHBondContact O-N 3.24Å; D140-R187 IonicContact OD1-CZ 3.39Å; D140-R187 IonicContact OD1-NH2 2.91Å; D140-R187 PolarHBondContact OD1-NH2 3.13Å
141Q98.6Very high98.5Very high88 Ų8849 Ų4941%0.41123%0.233SC..Hα-helixtrans-64.2-43.7175.3-174.860.958.100111.9T137 I139 Q144 W145T137-Q141 WeakPolarHBondContact O-CB 3.17Å; T137-Q141 PolarHBondContact O-N 3.39Å; I139-Q141 VanDerWaalsContact C-N 3.33Å; I139-Q141 PolarHBondContact O-N 3.11Å; Q141-Q144 WeakPolarHBondContact O-CB 3.38Å; Q141-Q144 PolarHBondContact O-N 3.12Å; Q141-W145 HydrophobicContact CG-CD2 4.27Å; Q141-W145 HydrophobicContact CG-CE3 4.28Å; Q141-W145 HydrophobicContact CG-CH2 3.71Å; Q141-W145 HydrophobicContact CG-CZ2 3.65Å; Q141-W145 HydrophobicContact CG-CZ3 4.03Å; Q141-W145 VanDerWaalsContact NE2-CE2 3.26Å; Q141-W145 VanDerWaalsContact NE2-NE1 3.15Å; Q141-W145 PolarHBondContact O-N 3.28Å; Q141-W145 VanDerWaalsContact O-N 3.07Å
142A98.8Very high98.4Very high2 Ų247.3 Ų47.32%0.01723%0.23CC..Hα-helixtrans-66.8-38.3177.600000112.2I106 F110 A138 I139 Q144 W145 L146I106-A142 HydrophobicContact CD1-CB 3.99Å; F110-A142 HydrophobicContact CE2-CB 3.77Å; F110-A142 HydrophobicContact CZ-CB 4.03Å; A138-A142 WeakPolarHBondContact O-CB 3.11Å; A138-A142 PolarHBondContact O-N 3.03Å; I139-A142 PolarHBondContact O-N 3.05Å; A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 2.88Å; A142-W145 PolarHBondContact O-N 2.99Å; A142-L146 WeakPolarHBondContact O-CB 3.28Å; A142-L146 PolarHBondContact O-N 2.93Å
143L98.8Very high98.1Very high0 Ų054.4 Ų54.40%027%0.268CS..Hα-helixtrans-62.2-38.9172-71.6174.3000111.5F110 I139 D140 L146 E147 L173 L183 L190F110-L143 HydrophobicContact CE1-CD2 3.88Å; F110-L143 HydrophobicContact CE1-CG 4.12Å; F110-L143 HydrophobicContact CZ-CD2 4.07Å; F110-L143 HydrophobicContact CZ-CG 4.03Å; I139-L143 HydrophobicContact CG2-CD1 3.89Å; I139-L143 HydrophobicContact CG2-CG 4.29Å; I139-L143 WeakPolarHBondContact O-CB 3.47Å; I139-L143 WeakPolarHBondContact O-CG 3.43Å; I139-L143 PolarHBondContact O-N 3.18Å; D140-L143 PolarHBondContact O-N 2.94Å; L143-L146 HydrophobicContact CD2-CD2 4.38Å; L143-L146 WeakPolarHBondContact O-CB 3.38Å; L143-L146 PolarHBondContact O-N 3.26Å; L143-E147 WeakPolarHBondContact O-CB 3.44Å; L143-E147 PolarHBondContact O-N 2.8Å; L143-L173 HydrophobicContact CD2-CD2 3.82Å; L143-L173 HydrophobicContact CD2-CG 4.21Å; L143-L183 HydrophobicContact CD1-CB 4.19Å; L143-L183 HydrophobicContact CD1-CD2 4.2Å; L143-L190 HydrophobicContact CB-CD1 4.32Å; L143-L190 HydrophobicContact CD2-CD1 4.05Å
144Q98.6Very high98Very high73 Ų7355.5 Ų55.534%0.34127%0.268SS..Hα-helixtrans-63.1-42.2175.9-167.963.563.300112.1D140 Q141 A142 N148D140-Q144 PolarHBondContact O-N 3.24Å; Q141-Q144 WeakPolarHBondContact O-CB 3.38Å; Q141-Q144 PolarHBondContact O-N 3.12Å; A142-Q144 VanDerWaalsContact C-N 3.31Å; A142-Q144 PolarHBondContact O-N 2.88Å; Q144-N148 VanDerWaalsContact NE2-CG 3.26Å; Q144-N148 PolarHBondContact NE2-ND2 3.44Å; Q144-N148 PolarHBondContact NE2-OD1 2.96Å; Q144-N148 WeakPolarHBondContact O-CB 3.4Å; Q144-N148 PolarHBondContact O-N 3.35Å
145W98.8Very high98Very high116 Ų11654.2 Ų54.244%0.43927%0.269SS..Hα-helixtrans-67.4-43.1174.3-67.8-32.4000112W101 Q141 A142 E147 N148 K149 F150W101-W145 HydrophobicContact CH2-CB 4.39Å; W101-W145 HydrophobicContact CZ2-CB 3.68Å; W101-W145 AromaticContact CZ2-CE3 3.96Å; W101-W145 HydrophobicContact CZ2-CE3 3.96Å; Q141-W145 HydrophobicContact CG-CD2 4.27Å; Q141-W145 HydrophobicContact CG-CE3 4.28Å; Q141-W145 HydrophobicContact CG-CH2 3.71Å; Q141-W145 HydrophobicContact CG-CZ2 3.65Å; Q141-W145 HydrophobicContact CG-CZ3 4.03Å; Q141-W145 VanDerWaalsContact NE2-CE2 3.26Å; Q141-W145 VanDerWaalsContact NE2-NE1 3.15Å; Q141-W145 PolarHBondContact O-N 3.28Å; Q141-W145 VanDerWaalsContact O-N 3.07Å; A142-W145 PolarHBondContact O-N 2.99Å; W145-E147 VanDerWaalsContact C-N 3.27Å; W145-E147 PolarHBondContact O-N 2.67Å; W145-N148 PolarHBondContact O-N 2.94Å; W145-K149 WeakPolarHBondContact O-CA 3.41Å; W145-K149 VanDerWaalsContact O-CB 3.28Å; W145-K149 WeakPolarHBondContact O-CB 3.38Å; W145-K149 PolarHBondContact O-N 2.92Å; W145-F150 PolarHBondContact O-N 3.23Å
146L98.8Very high98Very high0 Ų054.7 Ų54.70%027%0.271CS..Iπ-helixtrans-54.6-47.2175.4-171.468.8000110.8Y98 W101 A142 L143 F150 L151 L157 L173 L190Y98-L146 HydrophobicContact CE2-CD1 3.55Å; W101-L146 HydrophobicContact CH2-CB 4.24Å; W101-L146 HydrophobicContact CH2-CD1 4.39Å; W101-L146 HydrophobicContact CZ3-CD1 4.02Å; A142-L146 WeakPolarHBondContact O-CB 3.28Å; A142-L146 PolarHBondContact O-N 2.93Å; L143-L146 HydrophobicContact CD2-CD2 4.38Å; L143-L146 WeakPolarHBondContact O-CB 3.38Å; L143-L146 PolarHBondContact O-N 3.26Å; L146-F150 HydrophobicContact CD1-CB 4.48Å; L146-F150 PolarHBondContact O-N 3.32Å; L146-L151 PolarHBondContact O-N 3.15Å; L146-L157 HydrophobicContact CD1-CD1 3.76Å; L146-L157 HydrophobicContact CD1-CD2 3.66Å; L146-L157 HydrophobicContact CD1-CG 4.36Å; L146-L157 HydrophobicContact CG-CD2 4Å; L146-L173 HydrophobicContact CD2-CD1 4.3Å; L146-L173 HydrophobicContact CD2-CD2 3.89Å; L146-L190 HydrophobicContact CD2-CD2 3.9Å; L146-L190 HydrophobicContact CG-CD2 4.06Å
147E98.4Very high98Very high14 Ų1450.7 Ų50.77%0.06526%0.256CS..Iπ-helixtrans-71.7-46.2-178.8-162.9177.6153.600112.6L143 W145 G152 R189 L190L143-E147 WeakPolarHBondContact O-CB 3.44Å; L143-E147 PolarHBondContact O-N 2.8Å; W145-E147 VanDerWaalsContact C-N 3.27Å; W145-E147 PolarHBondContact O-N 2.67Å; E147-G152 PolarHBondContact O-N 3.35Å; E147-R189 HydrophobicContact CG-CB 4.02Å; E147-R189 IonicContact OE1-CZ 2.74Å; E147-R189 VanDerWaalsContact OE1-CZ 3.3Å; E147-R189 IonicContact OE1-NE 3.96Å; E147-R189 PolarHBondContact OE1-NE 3.38Å; E147-R189 IonicContact OE1-NH2 2.59Å; E147-R189 PolarHBondContact OE1-NH2 2.87Å; E147-L190 HydrophobicContact CB-CD1 4.02Å; E147-L190 HydrophobicContact CB-CD2 4.17Å; E147-L190 HydrophobicContact CB-CG 3.91Å; E147-L190 HydrophobicContact CG-CD1 4.41Å; E147-L190 HydrophobicContact CG-CD2 4.41Å; E147-L190 HydrophobicContact CG-CG 3.91Å
148N97.9Very high98Very high88 Ų8846.9 Ų46.947%0.47123%0.233SC..Iπ-helixtrans-84.2-41.2-173.2-71-10.1000113.9Q144 W145 R189Q144-N148 VanDerWaalsContact NE2-CG 3.26Å; Q144-N148 PolarHBondContact NE2-ND2 3.44Å; Q144-N148 PolarHBondContact NE2-OD1 2.96Å; Q144-N148 WeakPolarHBondContact O-CB 3.4Å; Q144-N148 PolarHBondContact O-N 3.35Å; W145-N148 PolarHBondContact O-N 2.94Å; N148-R189 PolarHBondContact OD1-NH2 3.1Å
149K97.9Very high97.7Very high100 Ų10045.8 Ų45.844%0.43523%0.227SC..Iπ-helixtrans-88-48.1-174.8169.865.4171.393.90111.8E97 W145 R154E97-K149 IonicContact OE1-NZ 3.82Å; E97-K149 PolarHBondContact OE1-NZ 3.04Å; E97-K149 IonicContact OE2-NZ 2.92Å; W145-K149 WeakPolarHBondContact O-CA 3.41Å; W145-K149 VanDerWaalsContact O-CB 3.28Å; W145-K149 WeakPolarHBondContact O-CB 3.38Å; W145-K149 PolarHBondContact O-N 2.92Å; K149-R154 PolarHBondContact O-NH2 3.38Å; K149-R154 VanDerWaalsContact O-NH2 3.08Å
150F98.5Very high97.6Very high10 Ų1051.6 Ų51.64%0.04425%0.254CS..Iπ-helixtrans-92.2-45.1-170.7-66.3-78.1000112.5E97 Y98 W101 W145 L146 R154 L157E97-F150 HydrophobicContact CG-CE1 4.3Å; Y98-F150 HydrophobicContact CD2-CB 4.33Å; Y98-F150 AromaticContact CD2-CD1 3.66Å; Y98-F150 HydrophobicContact CD2-CD1 3.66Å; Y98-F150 HydrophobicContact CD2-CD2 4.37Å; Y98-F150 AromaticContact CD2-CE1 3.98Å; Y98-F150 HydrophobicContact CD2-CE1 3.98Å; Y98-F150 AromaticContact CD2-CG 3.86Å; Y98-F150 HydrophobicContact CD2-CG 3.86Å; Y98-F150 HydrophobicContact CD2-CZ 4.47Å; Y98-F150 HydrophobicContact CE2-CG 4.41Å; Y98-F150 HydrophobicContact CG-CD1 4.44Å; W101-F150 HydrophobicContact CB-CE2 4.3Å; W101-F150 HydrophobicContact CB-CZ 3.66Å; W101-F150 HydrophobicContact CD2-CD2 4.24Å; W101-F150 AromaticContact CD2-CE2 3.25Å; W101-F150 HydrophobicContact CD2-CE2 3.25Å; W101-F150 AromaticContact CD2-CZ 3.58Å; W101-F150 HydrophobicContact CD2-CZ 3.58Å; W101-F150 AromaticContact CE2-CE2 3.61Å; W101-F150 HydrophobicContact CE3-CD2 4.02Å; W101-F150 AromaticContact CE3-CE2 3.43Å; W101-F150 HydrophobicContact CE3-CE2 3.43Å; W101-F150 VanDerWaalsContact CE3-CE2 3.43Å; W101-F150 AromaticContact CE3-CZ 3.83Å; W101-F150 HydrophobicContact CE3-CZ 3.83Å; W101-F150 AromaticContact CG-CE2 3.65Å; W101-F150 HydrophobicContact CG-CE2 3.65Å; W101-F150 AromaticContact CG-CZ 3.49Å; W101-F150 HydrophobicContact CG-CZ 3.49Å; W101-F150 VanDerWaalsContact CG-CZ 3.49Å; W101-F150 HydrophobicContact CH2-CD2 4.38Å; W101-F150 HydrophobicContact CH2-CE2 4.21Å; W101-F150 HydrophobicContact CZ2-CE2 4.08Å; W101-F150 HydrophobicContact CZ3-CD2 4.1Å; W101-F150 AromaticContact CZ3-CE2 3.91Å; W101-F150 HydrophobicContact CZ3-CE2 3.91Å; W145-F150 PolarHBondContact O-N 3.23Å; L146-F150 HydrophobicContact CD1-CB 4.48Å; L146-F150 PolarHBondContact O-N 3.32Å; F150-R154 PolarHBondContact O-NE 2.98Å; F150-R154 PolarHBondContact O-NH2 2.81Å; F150-L157 HydrophobicContact CB-CB 4.44Å; F150-L157 HydrophobicContact CB-CD2 4.06Å; F150-L157 CarbonylContact O-C 3.6Å
151L98.5Very high97.6Very high1 Ų154.1 Ų54.11%0.00526%0.263CS..Iπ-helixtrans-78.3-57.8174.7-170.161.4000111L146 D153 R154 L157 R189 L190 W193L146-L151 PolarHBondContact O-N 3.15Å; L151-D153 PolarHBondContact O-N 3.25Å; L151-R154 WeakPolarHBondContact CD1-O 3.25Å; L151-R154 VanDerWaalsContact O-CB 3.31Å; L151-R154 WeakPolarHBondContact O-CB 3.37Å; L151-R154 PolarHBondContact O-N 2.84Å; L151-L157 HydrophobicContact CB-CD2 4.04Å; L151-L157 HydrophobicContact CD1-CD2 4.46Å; L151-R189 HydrophobicContact CD2-CB 3.9Å; L151-R189 WeakPolarHBondContact CD2-O 3.47Å; L151-L190 HydrophobicContact CD2-CD2 4.11Å; L151-W193 HydrophobicContact CD1-CB 4.05Å; L151-W193 HydrophobicContact CD1-CG 4.11Å; L151-W193 HydrophobicContact CD2-CB 3.75Å; L151-W193 HydrophobicContact CD2-CG 4.34Å
152G95.4Very high97.6Very high14 Ų1450 Ų5014%0.14424%0.244CC..THydrogen-bonded Turntrans54-127.6-17300000110.6E147E147-G152 PolarHBondContact O-N 3.35Å
153D93.3Very high97.6Very high156 Ų15650.2 Ų50.283%0.83425%0.245SC*.THydrogen-bonded Turntrans-99.310.9174.8-55.2-40.3000112.9L151L151-D153 PolarHBondContact O-N 3.25Å
154R95.8Very high97.6Very high97 Ų9750.2 Ų50.237%0.36625%0.245SC..SBendtrans-82.4165.6177.5-62.5178.2-74.9-920.7111.2K149 F150 L151K149-R154 PolarHBondContact O-NH2 3.38Å; K149-R154 VanDerWaalsContact O-NH2 3.08Å; F150-R154 PolarHBondContact O-NE 2.98Å; F150-R154 PolarHBondContact O-NH2 2.81Å; L151-R154 WeakPolarHBondContact CD1-O 3.25Å; L151-R154 VanDerWaalsContact O-CB 3.31Å; L151-R154 WeakPolarHBondContact O-CB 3.37Å; L151-R154 PolarHBondContact O-N 2.84Å
155L97.6Very high97.6Very high78 Ų7846.7 Ų46.741%0.40823%0.229SC..SBendtrans-74.1-36.2176.3-60.7-178.8000112.6R196L155-R196 PolarHBondContact O-NE 3.5Å; L155-R196 PolarHBondContact O-NH2 3.48Å
156F98.9Very high97.6Very high19 Ų1941.2 Ų41.28%0.08321%0.208CC..BIsolated β-bridgetrans-136.4164.5-173.2-62.7-80000112A158 G159 Q160 Q161 V162 D166 R196 V197F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 2.97Å; F156-G159 PolarHBondContact N-O 3.22Å; F156-G159 PolarHBondContact O-N 2.96Å; F156-G159 VanDerWaalsContact O-O 3.12Å; F156-Q160 VanDerWaalsContact CD2-O 3.31Å; F156-Q160 WeakPolarHBondContact CD2-O 3.3Å; F156-Q160 WeakPolarHBondContact CE2-O 3.44Å; F156-Q161 WeakPolarHBondContact CB-O 3.3Å; F156-Q161 VanDerWaalsContact CD2-CA 3.44Å; F156-V162 HydrophobicContact CD1-CB 4.05Å; F156-V162 HydrophobicContact CD1-CG2 4.44Å; F156-V162 HydrophobicContact CE1-CB 3.84Å; F156-V162 HydrophobicContact CE1-CG2 4.34Å; F156-V162 HydrophobicContact CZ-CB 4.2Å; F156-D166 WeakPolarHBondContact CB-OD1 3.14Å; F156-R196 HydrophobicContact CE1-CB 4.14Å; F156-R196 HydrophobicContact CZ-CB 4.16Å; F156-V197 HydrophobicContact CD1-CG2 3.9Å; F156-V197 HydrophobicContact CE1-CG2 3.79Å
157L98.7Very high97.6Very high4 Ų441.2 Ų41.22%0.02121%0.208CC..THydrogen-bonded Turntrans-68.2-29.5-168.6-63.4178.6000114.3Y98 L146 F150 L151 A165 D166 A169 W193Y98-L157 HydrophobicContact CD2-CB 4.43Å; Y98-L157 HydrophobicContact CD2-CD1 4.36Å; Y98-L157 HydrophobicContact CE1-CD1 4.44Å; Y98-L157 HydrophobicContact CE2-CD1 3.76Å; L146-L157 HydrophobicContact CD1-CD1 3.76Å; L146-L157 HydrophobicContact CD1-CD2 3.66Å; L146-L157 HydrophobicContact CD1-CG 4.36Å; L146-L157 HydrophobicContact CG-CD2 4Å; F150-L157 HydrophobicContact CB-CB 4.44Å; F150-L157 HydrophobicContact CB-CD2 4.06Å; F150-L157 CarbonylContact O-C 3.6Å; L151-L157 HydrophobicContact CB-CD2 4.04Å; L151-L157 HydrophobicContact CD1-CD2 4.46Å; L157-A165 HydrophobicContact CB-CB 4.43Å; L157-D166 WeakPolarHBondContact CG-OD1 3.07Å; L157-D166 PolarHBondContact N-OD1 3.42Å; L157-A169 HydrophobicContact CD1-CB 3.32Å; L157-W193 HydrophobicContact CD1-CH2 4.41Å; L157-W193 HydrophobicContact CD1-CZ2 3.68Å; L157-W193 HydrophobicContact CG-CZ2 4.09Å
158A97.9Very high97.6Very high11 Ų1141.2 Ų41.29%0.09121%0.208CC..THydrogen-bonded Turntrans-115.57.4-178.200000113.4R94 V95 F156 T163 A165R94-A158 HydrophobicContact CB-CB 4.28Å; V95-A158 HydrophobicContact CG2-CB 3.81Å; F156-A158 VanDerWaalsContact C-N 3.34Å; F156-A158 PolarHBondContact O-N 2.97Å; A158-T163 HydrophobicContact CB-CG2 4.01Å; A158-A165 HydrophobicContact CB-CB 3.94Å
159G93.4Very high97.7Very high20 Ų2037 Ų3721%0.20619%0.186CC..BIsolated β-bridgetrans161.7-148.7-178.900000114.7F156F156-G159 PolarHBondContact N-O 3.22Å; F156-G159 PolarHBondContact O-N 2.96Å; F156-G159 VanDerWaalsContact O-O 3.12Å
160Q96.1Very high97.7Very high124 Ų12432.2 Ų32.258%0.57917%0.165SC*.SBendtrans-94.9-12.5-177.4-61.5-59.7-20.200113.8F156F156-Q160 VanDerWaalsContact CD2-O 3.31Å; F156-Q160 WeakPolarHBondContact CD2-O 3.3Å; F156-Q160 WeakPolarHBondContact CE2-O 3.44Å
161Q98.4Very high97.7Very high121 Ų12131.8 Ų31.857%0.56516%0.163SC*.SBendtrans-125.7160.2176.9-65.5-178.7-9100109.8H83 F156 T163H83-Q161 HydrophobicContact CB-CB 3.83Å; H83-Q161 HydrophobicContact CB-CG 4.42Å; F156-Q161 WeakPolarHBondContact CB-O 3.3Å; F156-Q161 VanDerWaalsContact CD2-CA 3.44Å; Q161-T163 WeakPolarHBondContact O-CG2 3.28Å
162V98.8Very high97.7Very high3 Ų331.9 Ų31.92%0.01816%0.164CC..  trans-61.4136.6175.867.10000110.8H83 W84 F156 D166 V197 F200H83-V162 CarbonylContact C-O 3.11Å; H83-V162 PolarHBondContact ND1-O 2.98Å; H83-V162 VanDerWaalsContact O-O 3.12Å; W84-V162 HydrophobicContact CH2-CG1 4.44Å; W84-V162 HydrophobicContact CH2-CG2 4.37Å; W84-V162 HydrophobicContact CZ3-CG1 4.38Å; W84-V162 HydrophobicContact CZ3-CG2 3.99Å; F156-V162 HydrophobicContact CD1-CB 4.05Å; F156-V162 HydrophobicContact CD1-CG2 4.44Å; F156-V162 HydrophobicContact CE1-CB 3.84Å; F156-V162 HydrophobicContact CE1-CG2 4.34Å; F156-V162 HydrophobicContact CZ-CB 4.2Å; V162-D166 HydrophobicContact CG2-CB 3.93Å; V162-V197 HydrophobicContact CG2-CG1 4.48Å; V162-F200 HydrophobicContact CB-CD1 4.31Å; V162-F200 HydrophobicContact CB-CG 4.49Å; V162-F200 HydrophobicContact CG1-CD1 3.58Å; V162-F200 HydrophobicContact CG1-CD2 3.93Å; V162-F200 HydrophobicContact CG1-CE1 3.45Å; V162-F200 VanDerWaalsContact CG1-CE1 3.45Å; V162-F200 HydrophobicContact CG1-CE2 3.78Å; V162-F200 HydrophobicContact CG1-CG 3.83Å; V162-F200 HydrophobicContact CG1-CZ 3.54Å; V162-F200 HydrophobicContact CG2-CD1 4.29Å
163T98.9Very high97.9Very high5 Ų531.2 Ų31.23%0.03116%0.157CC..  trans-130.3177.7-179.468.70000111H83 W84 V95 A158 Q161 A165 D166 L167H83-T163 WeakPolarHBondContact O-CG2 3.48Å; W84-T163 WeakPolarHBondContact O-CA 3.4Å; V95-T163 HydrophobicContact CG2-CG2 4.16Å; A158-T163 HydrophobicContact CB-CG2 4.01Å; Q161-T163 WeakPolarHBondContact O-CG2 3.28Å; T163-A165 PolarHBondContact O-N 3.47Å; T163-A165 VanDerWaalsContact OG1-CB 3.27Å; T163-A165 WeakPolarHBondContact OG1-CB 3.17Å; T163-A165 PolarHBondContact OG1-N 3.12Å; T163-A165 VanDerWaalsContact OG1-N 3.14Å; T163-D166 PolarHBondContact N-OD2 2.86Å; T163-D166 PolarHBondContact O-N 3.36Å; T163-D166 PolarHBondContact OG1-OD2 3.43Å; T163-L167 PolarHBondContact O-N 2.84Å
164L98.9Very high98.1Very high0 Ų024 Ų240%012%0.118CC..Hα-helixtrans-56.4-27.7168.9-60.2-176000112.9F20 L71 I72 W84 Y85 V95 M168F20-L164 HydrophobicContact CD2-CD2 3.57Å; F20-L164 HydrophobicContact CE2-CD2 3.48Å; F20-L164 VanDerWaalsContact CE2-CD2 3.48Å; F20-L164 HydrophobicContact CG-CD2 4.4Å; F20-L164 HydrophobicContact CZ-CD2 4.25Å; L71-L164 HydrophobicContact CB-CD1 3.82Å; L71-L164 HydrophobicContact CB-CD2 3.96Å; L71-L164 HydrophobicContact CB-CG 4.42Å; L71-L164 HydrophobicContact CD1-CD2 4.43Å; L71-L164 HydrophobicContact CD2-CD2 4.25Å; L71-L164 HydrophobicContact CG-CD2 4.45Å; I72-L164 HydrophobicContact CG1-CD1 3.84Å; W84-L164 HydrophobicContact CB-CD2 4.5Å; W84-L164 HydrophobicContact CE3-CD2 4.27Å; W84-L164 WeakPolarHBondContact O-CG 3.29Å; W84-L164 PolarHBondContact O-N 3.18Å; Y85-L164 HydrophobicContact CD2-CD1 4.29Å; Y85-L164 HydrophobicContact CG-CD1 4.42Å; V95-L164 HydrophobicContact CG1-CB 4.37Å; L164-M168 WeakPolarHBondContact O-CB 3.31Å; L164-M168 WeakPolarHBondContact O-CG 3.47Å; L164-M168 PolarHBondContact O-N 2.87Å
165A98.9Very high98.3Very high0 Ų019.7 Ų19.70%010%0.102CC..Hα-helixtrans-62.2-47.8176.700000111.4Y98 L157 A158 T163 L167 M168 A169Y98-A165 VanDerWaalsContact CD1-CA 3.49Å; Y98-A165 HydrophobicContact CD1-CB 3.23Å; Y98-A165 HydrophobicContact CE1-CB 3.94Å; Y98-A165 WeakPolarHBondContact CE1-O 3.29Å; Y98-A165 HydrophobicContact CG-CB 3.62Å; L157-A165 HydrophobicContact CB-CB 4.43Å; A158-A165 HydrophobicContact CB-CB 3.94Å; T163-A165 PolarHBondContact O-N 3.47Å; T163-A165 VanDerWaalsContact OG1-CB 3.27Å; T163-A165 WeakPolarHBondContact OG1-CB 3.17Å; T163-A165 PolarHBondContact OG1-N 3.12Å; T163-A165 VanDerWaalsContact OG1-N 3.14Å; A165-L167 VanDerWaalsContact C-N 3.32Å; A165-L167 PolarHBondContact O-N 3.2Å; A165-M168 PolarHBondContact O-N 3.3Å; A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.36Å; A165-A169 PolarHBondContact O-N 2.81Å
166D98.9Very high98.3Very high0 Ų016 Ų160%08%0.083CC..Hα-helixtrans-63.7-40.2-179.2-56.4-83000111.7F156 L157 V162 T163 A169 L170 W193 V197F156-D166 WeakPolarHBondContact CB-OD1 3.14Å; L157-D166 WeakPolarHBondContact CG-OD1 3.07Å; L157-D166 PolarHBondContact N-OD1 3.42Å; V162-D166 HydrophobicContact CG2-CB 3.93Å; T163-D166 PolarHBondContact N-OD2 2.86Å; T163-D166 PolarHBondContact O-N 3.36Å; T163-D166 PolarHBondContact OG1-OD2 3.43Å; D166-A169 PolarHBondContact O-N 3.44Å; D166-L170 WeakPolarHBondContact O-CB 3.32Å; D166-L170 PolarHBondContact O-N 3.01Å; D166-W193 HydrophobicContact CB-CZ2 4.27Å; D166-W193 PolarHBondContact OD1-NE1 3.15Å; D166-V197 HydrophobicContact CB-CG2 3.98Å
167L98.7Very high98.3Very high1 Ų116.6 Ų16.61%0.0059%0.088CC..Hα-helixtrans-66.3-47179-172.957.4000111.9A16 I19 F20 L71 W84 T163 A165 A169 E171 L201A16-L167 HydrophobicContact CB-CG 4.17Å; A16-L167 VanDerWaalsContact O-CD2 3.26Å; A16-L167 WeakPolarHBondContact O-CD2 3.44Å; I19-L167 HydrophobicContact CB-CD1 3.95Å; I19-L167 HydrophobicContact CD1-CD1 4.18Å; I19-L167 HydrophobicContact CG2-CD1 3.57Å; I19-L167 HydrophobicContact CG2-CD2 4.41Å; F20-L167 HydrophobicContact CB-CD2 3.68Å; F20-L167 HydrophobicContact CD2-CD2 4.32Å; F20-L167 HydrophobicContact CG-CD2 4.49Å; L71-L167 HydrophobicContact CD2-CD2 4.49Å; W84-L167 HydrophobicContact CZ3-CB 4.46Å; W84-L167 HydrophobicContact CZ3-CD2 4.33Å; T163-L167 PolarHBondContact O-N 2.84Å; A165-L167 VanDerWaalsContact C-N 3.32Å; A165-L167 PolarHBondContact O-N 3.2Å; L167-A169 VanDerWaalsContact C-N 3.31Å; L167-A169 PolarHBondContact O-N 2.92Å; L167-E171 HydrophobicContact CD1-CG 4.42Å; L167-E171 WeakPolarHBondContact O-CG 3.5Å; L167-E171 PolarHBondContact O-N 2.88Å; L167-L201 HydrophobicContact CD1-CD1 4.22Å
168M98.8Very high98.2Very high13 Ų1316.8 Ų16.86%0.0649%0.09CC..Hα-helixtrans-62.7-39.3175.9-74.1-72.5-71.400112.1A16 S67 L71 L99 H102 L164 A165 E172A16-M168 HydrophobicContact CB-SD 3.87Å; S67-M168 WeakPolarHBondContact OG-CE 3.49Å; S67-M168 PolarHBondContact OG-SD 3.2Å; S67-M168 VanDerWaalsContact OG-SD 3.4Å; L71-M168 HydrophobicContact CD1-CG 3.93Å; L71-M168 HydrophobicContact CD1-SD 3.79Å; L99-M168 HydrophobicContact CD2-CB 4.17Å; L99-M168 HydrophobicContact CD2-CG 3.87Å; H102-M168 PolarHBondContact CE1-O 2.72Å; L164-M168 WeakPolarHBondContact O-CB 3.31Å; L164-M168 WeakPolarHBondContact O-CG 3.47Å; L164-M168 PolarHBondContact O-N 2.87Å; A165-M168 PolarHBondContact O-N 3.3Å; M168-E172 PolarHBondContact O-N 2.96Å
169A98.9Very high98.1Very high0 Ų016.4 Ų16.40%09%0.087CC..Hα-helixtrans-62.8-54.5177.100000111.9Y98 L157 A165 D166 L167 E171 E172 L173 W193Y98-A169 HydrophobicContact CE1-CB 4.18Å; Y98-A169 WeakPolarHBondContact OH-CA 3.44Å; Y98-A169 WeakPolarHBondContact OH-CB 3.13Å; L157-A169 HydrophobicContact CD1-CB 3.32Å; A165-A169 VanDerWaalsContact O-CB 3.29Å; A165-A169 WeakPolarHBondContact O-CB 3.36Å; A165-A169 PolarHBondContact O-N 2.81Å; D166-A169 PolarHBondContact O-N 3.44Å; L167-A169 VanDerWaalsContact C-N 3.31Å; L167-A169 PolarHBondContact O-N 2.92Å; A169-E171 VanDerWaalsContact C-N 3.3Å; A169-E171 PolarHBondContact O-N 2.84Å; A169-E172 PolarHBondContact O-N 2.99Å; A169-L173 VanDerWaalsContact O-CD1 3.28Å; A169-L173 WeakPolarHBondContact O-CD1 3.47Å; A169-L173 PolarHBondContact O-N 2.94Å; A169-W193 HydrophobicContact CB-CH2 3.71Å; A169-W193 HydrophobicContact CB-CZ2 3.81Å
170L98.8Very high98.2Very high0 Ų018.3 Ų18.30%011%0.106CC..Hα-helixtrans-58.3-46.5-174.6177.560.9000110.2D166 E172 L173 M174 W193 R194 V197 E198 L201D166-L170 WeakPolarHBondContact O-CB 3.32Å; D166-L170 PolarHBondContact O-N 3.01Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 3.22Å; L170-L173 CarbonylContact O-C 3.55Å; L170-L173 PolarHBondContact O-N 3.5Å; L170-L173 VanDerWaalsContact O-N 3.12Å; L170-M174 HydrophobicContact CD1-CG 4.04Å; L170-M174 HydrophobicContact CD1-SD 4.29Å; L170-M174 HydrophobicContact CG-CG 4.27Å; L170-M174 VanDerWaalsContact O-CG 3.31Å; L170-M174 WeakPolarHBondContact O-CG 3.29Å; L170-M174 PolarHBondContact O-N 2.99Å; L170-W193 HydrophobicContact CB-CH2 4.03Å; L170-R194 HydrophobicContact CD1-CG 3.95Å; L170-V197 HydrophobicContact CD2-CB 4.27Å; L170-V197 HydrophobicContact CD2-CG1 3.6Å; L170-E198 HydrophobicContact CD2-CG 4.15Å; L170-L201 HydrophobicContact CD2-CD1 4.19Å
171E98.8Very high98.3Very high1 Ų114 Ų141%0.0059%0.085CC..Hα-helixtrans-66.6-31.6-176.4-65.8-51130.200114Q12 R15 A16 I19 L167 A169 H210Q12-E171 WeakPolarHBondContact CB-O 3.46Å; R15-E171 HydrophobicContact CB-CB 4.49Å; R15-E171 HydrophobicContact CB-CG 4.08Å; R15-E171 WeakPolarHBondContact CB-OE2 3.23Å; R15-E171 WeakPolarHBondContact CD-OE2 3.33Å; R15-E171 IonicContact CZ-OE2 3.82Å; R15-E171 IonicContact NE-OE2 3.63Å; R15-E171 PolarHBondContact NE-OE2 3.35Å; R15-E171 PolarHBondContact NH2-O 3.14Å; A16-E171 HydrophobicContact CB-CB 4.3Å; A16-E171 HydrophobicContact CB-CG 4.01Å; I19-E171 VanDerWaalsContact CD1-CD 3.49Å; I19-E171 HydrophobicContact CD1-CG 4.17Å; I19-E171 WeakPolarHBondContact CD1-OE1 3.46Å; L167-E171 HydrophobicContact CD1-CG 4.42Å; L167-E171 WeakPolarHBondContact O-CG 3.5Å; L167-E171 PolarHBondContact O-N 2.88Å; A169-E171 VanDerWaalsContact C-N 3.3Å; A169-E171 PolarHBondContact O-N 2.84Å; E171-H210 VanDerWaalsContact CD-NE2 3.28Å; E171-H210 IonicContact OE1-CD2 2.91Å; E171-H210 IonicContact OE1-CE1 2.95Å; E171-H210 IonicContact OE1-NE2 2.8Å; E171-H210 PolarHBondContact OE1-NE2 3.37Å; E171-H210 IonicContact OE2-CD2 3.85Å; E171-H210 PolarHBondContact OE2-CD2 3.22Å; E171-H210 IonicContact OE2-NE2 3.7Å; E171-H210 PolarHBondContact OE2-NE2 2.91Å
172E98.8Very high98.2Very high3 Ų314.5 Ų14.51%0.0149%0.087CC..Hα-helixtrans-70.8-42.6170.4-76.7-67.9170.900111.8Q12 H102 I106 R107 F110 M168 A169 L170 M174 Q175 P176Q12-E172 HydrophobicContact CB-CG 4.18Å; Q12-E172 PolarHBondContact NE2-OE2 3.23Å; H102-E172 VanDerWaalsContact CE1-CG 3.47Å; H102-E172 WeakPolarHBondContact CE1-CG 3.5Å; I106-E172 HydrophobicContact CG2-CB 3.47Å; I106-E172 VanDerWaalsContact CG2-CB 3.47Å; I106-E172 HydrophobicContact CG2-CG 3.83Å; R107-E172 WeakPolarHBondContact CD-OE1 3.33Å; R107-E172 IonicContact CZ-OE1 2.81Å; R107-E172 IonicContact NE-OE1 3.94Å; R107-E172 IonicContact NH1-OE1 3.57Å; R107-E172 PolarHBondContact NH1-OE1 2.86Å; R107-E172 IonicContact NH1-OE2 3.88Å; F110-E172 HydrophobicContact CB-CB 4.43Å; M168-E172 PolarHBondContact O-N 2.96Å; A169-E172 PolarHBondContact O-N 2.99Å; L170-E172 VanDerWaalsContact C-N 3.33Å; L170-E172 PolarHBondContact O-N 3.22Å; E172-M174 VanDerWaalsContact C-N 3.28Å; E172-M174 PolarHBondContact O-N 3.06Å; E172-Q175 WeakPolarHBondContact O-CB 3.35Å; E172-Q175 PolarHBondContact O-N 3.05Å; E172-Q175 VanDerWaalsContact O-N 3.15Å; E172-P176 VanDerWaalsContact O-CD 3.3Å; E172-P176 WeakPolarHBondContact O-CD 3.36Å
173L98.7Very high98.1Very high0 Ų015 Ų150%09%0.089CC..Hα-helixtrans-66.8-27.4178.5-91.365.7000112.9I106 F110 L143 L146 A169 L170 Q175 P176 V177 L183 F184 W193I106-L173 HydrophobicContact CG2-CD1 4.49Å; F110-L173 HydrophobicContact CD1-CD1 3.77Å; F110-L173 HydrophobicContact CD1-CG 4.05Å; F110-L173 HydrophobicContact CE1-CD1 3.58Å; F110-L173 HydrophobicContact CE1-CG 3.83Å; F110-L173 HydrophobicContact CZ-CD1 4.27Å; L143-L173 HydrophobicContact CD2-CD2 3.82Å; L143-L173 HydrophobicContact CD2-CG 4.21Å; L146-L173 HydrophobicContact CD2-CD1 4.3Å; L146-L173 HydrophobicContact CD2-CD2 3.89Å; A169-L173 VanDerWaalsContact O-CD1 3.28Å; A169-L173 WeakPolarHBondContact O-CD1 3.47Å; A169-L173 PolarHBondContact O-N 2.94Å; L170-L173 CarbonylContact O-C 3.55Å; L170-L173 PolarHBondContact O-N 3.5Å; L170-L173 VanDerWaalsContact O-N 3.12Å; L173-Q175 PolarHBondContact O-N 2.87Å; L173-P176 WeakPolarHBondContact O-CD 3.29Å; L173-V177 VanDerWaalsContact O-CG2 3.24Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-L183 HydrophobicContact CB-CD1 4.34Å; L173-L183 HydrophobicContact CG-CD1 4.19Å; L173-L183 WeakPolarHBondContact O-CD1 3.18Å; L173-F184 HydrophobicContact CB-CZ 4.25Å; L173-F184 HydrophobicContact CD2-CE1 3.99Å; L173-F184 HydrophobicContact CD2-CZ 3.92Å; L173-W193 HydrophobicContact CD2-CZ3 4.05Å
174M98.4Very high98.1Very high4 Ų415.9 Ų15.92%0.029%0.093CC..Hα-helixtrans-69-19.3175.2-73.3-53.8-67.300113L170 E172 V177 A178 L214L170-M174 HydrophobicContact CD1-CG 4.04Å; L170-M174 HydrophobicContact CD1-SD 4.29Å; L170-M174 HydrophobicContact CG-CG 4.27Å; L170-M174 VanDerWaalsContact O-CG 3.31Å; L170-M174 WeakPolarHBondContact O-CG 3.29Å; L170-M174 PolarHBondContact O-N 2.99Å; E172-M174 VanDerWaalsContact C-N 3.28Å; E172-M174 PolarHBondContact O-N 3.06Å; M174-V177 HydrophobicContact CE-CG1 4.18Å; M174-V177 PolarHBondContact O-N 3.35Å; M174-V177 HydrophobicContact SD-CB 4.42Å; M174-V177 HydrophobicContact SD-CG1 4.35Å; M174-A178 WeakPolarHBondContact O-CB 3.47Å; M174-A178 PolarHBondContact O-N 3.08Å; M174-L214 HydrophobicContact CE-CD2 4.39Å
175Q98.3Very high98Very high7 Ų722.8 Ų22.83%0.03312%0.123CC..Hα-helixtrans-68.2-50.5-179.2-159.183.5-3.300112.7L10 Q12 R15 M114 E172 L173 V177 I213L10-Q175 PolarHBondContact O-NE2 3.19Å; L10-Q175 VanDerWaalsContact O-NE2 3.15Å; L10-Q175 PolarHBondContact O-OE1 3.3Å; Q12-Q175 HydrophobicContact CG-CB 3.84Å; Q12-Q175 HydrophobicContact CG-CG 4.09Å; R15-Q175 VanDerWaalsContact NH1-OE1 3.11Å; M114-Q175 HydrophobicContact CB-CG 4.34Å; M114-Q175 HydrophobicContact CE-CG 4.27Å; E172-Q175 WeakPolarHBondContact O-CB 3.35Å; E172-Q175 PolarHBondContact O-N 3.05Å; E172-Q175 VanDerWaalsContact O-N 3.15Å; L173-Q175 PolarHBondContact O-N 2.87Å; Q175-V177 VanDerWaalsContact C-N 3.35Å; Q175-I213 VanDerWaalsContact CD-CD1 3.48Å; Q175-I213 HydrophobicContact CG-CD1 4.47Å
176P98.3Very high97.9Very high0 Ų026.4 Ų26.40%016%0.161CC..Hα-helixtrans-64-37.2171.4-24.135.2000113.5F110 P113 E172 L173 A178 V179 G180 Y181 L183F110-P176 HydrophobicContact CB-CG 4.19Å; F110-P176 HydrophobicContact CD1-CG 4.15Å; F110-P176 VanDerWaalsContact O-CD 3.25Å; F110-P176 WeakPolarHBondContact O-CD 3.39Å; F110-P176 WeakPolarHBondContact O-CG 3.31Å; P113-P176 HydrophobicContact CG-CB 4.16Å; P113-P176 HydrophobicContact CG-CG 4.21Å; E172-P176 VanDerWaalsContact O-CD 3.3Å; E172-P176 WeakPolarHBondContact O-CD 3.36Å; L173-P176 WeakPolarHBondContact O-CD 3.29Å; P176-A178 VanDerWaalsContact C-N 3.29Å; P176-A178 PolarHBondContact O-N 3.4Å; P176-V179 CarbonylContact O-C 3.34Å; P176-V179 WeakPolarHBondContact O-CA 3.27Å; P176-V179 VanDerWaalsContact O-CG2 3.22Å; P176-V179 WeakPolarHBondContact O-CG2 3.08Å; P176-V179 PolarHBondContact O-N 2.93Å; P176-G180 PolarHBondContact O-N 3.22Å; P176-Y181 HydrophobicContact CB-CD1 4.43Å; P176-Y181 HydrophobicContact CB-CD2 4.46Å; P176-Y181 HydrophobicContact CB-CG 3.97Å; P176-Y181 WeakPolarHBondContact O-CB 3.15Å; P176-Y181 PolarHBondContact O-N 3.36Å; P176-L183 HydrophobicContact CB-CD1 3.92Å; P176-L183 HydrophobicContact CB-CD2 4.18Å; P176-L183 HydrophobicContact CB-CG 4.2Å; P176-L183 HydrophobicContact CG-CD1 4Å
177V97.9Very high97.9Very high32 Ų3228.2 Ų28.219%0.19417%0.168CC..Hα-helixtrans-58.7-44.1-179.9170.60000110.9L173 M174 Q175 V179 G180 Y181 L183 F184L173-V177 VanDerWaalsContact O-CG2 3.24Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; M174-V177 HydrophobicContact CE-CG1 4.18Å; M174-V177 PolarHBondContact O-N 3.35Å; M174-V177 HydrophobicContact SD-CB 4.42Å; M174-V177 HydrophobicContact SD-CG1 4.35Å; Q175-V177 VanDerWaalsContact C-N 3.35Å; V177-V179 PolarHBondContact O-N 3.08Å; V177-V179 VanDerWaalsContact O-N 3.16Å; V177-G180 PolarHBondContact O-N 3.22Å; V177-Y181 WeakPolarHBondContact CA-O 3.14Å; V177-L183 HydrophobicContact CG2-CB 4.43Å; V177-L183 HydrophobicContact CG2-CD1 4.24Å; V177-L183 HydrophobicContact CG2-CG 4.16Å; V177-F184 HydrophobicContact CG2-CD2 4.27Å; V177-F184 HydrophobicContact CG2-CE2 3.82Å
178A96.6Very high97.9Very high8 Ų832.9 Ų32.97%0.06620%0.198CC..THydrogen-bonded Turntrans-64.3-17.6177.400000114.2M174 P176 I213 L214M174-A178 WeakPolarHBondContact O-CB 3.47Å; M174-A178 PolarHBondContact O-N 3.08Å; P176-A178 VanDerWaalsContact C-N 3.29Å; P176-A178 PolarHBondContact O-N 3.4Å; A178-I213 HydrophobicContact CB-CD1 4.16Å; A178-I213 HydrophobicContact CB-CG1 3.54Å; A178-L214 HydrophobicContact CB-CD2 3.99Å
179V96.7Very high97.8Very high3 Ų336.5 Ų36.52%0.01821%0.211CC..THydrogen-bonded Turntrans-108.927.8173.7-59.30000112.6P113 M114 Q117 V118 P176 V177 Y181 I216 L217P113-V179 HydrophobicContact CB-CG2 3.54Å; M114-V179 HydrophobicContact CE-CG1 3.38Å; M114-V179 HydrophobicContact SD-CG1 4.14Å; Q117-V179 PolarHBondContact NE2-O 3.02Å; Q117-V179 VanDerWaalsContact NE2-O 3.13Å; Q117-V179 PolarHBondContact OE1-O 3.05Å; V118-V179 HydrophobicContact CG2-CG1 4.49Å; P176-V179 CarbonylContact O-C 3.34Å; P176-V179 WeakPolarHBondContact O-CA 3.27Å; P176-V179 VanDerWaalsContact O-CG2 3.22Å; P176-V179 WeakPolarHBondContact O-CG2 3.08Å; P176-V179 PolarHBondContact O-N 2.93Å; V177-V179 PolarHBondContact O-N 3.08Å; V177-V179 VanDerWaalsContact O-N 3.16Å; V179-Y181 HydrophobicContact CG2-CD2 4.28Å; V179-I216 HydrophobicContact CG1-CG2 4.32Å; V179-L217 HydrophobicContact CB-CD1 4.36Å; V179-L217 HydrophobicContact CB-CD2 4.32Å; V179-L217 HydrophobicContact CB-CG 4.4Å; V179-L217 HydrophobicContact CG1-CD2 4.09Å; V179-L217 HydrophobicContact CG1-CG 4.18Å
180G96.1Very high97.8Very high60 Ų6036.5 Ų36.562%0.61921%0.211SC*.THydrogen-bonded Turntrans87.37.7167.500000115.9P176 V177 E182P176-G180 PolarHBondContact O-N 3.22Å; V177-G180 PolarHBondContact O-N 3.22Å; G180-E182 PolarHBondContact O-N 2.99Å
181Y97.4Very high97.8Very high33 Ų3337.8 Ų37.813%0.12922%0.221CC..  trans-79.8120.6175.7-78.6-122.8000110.8P113 P176 V177 V179 L183P113-Y181 HydrophobicContact CB-CD2 4.24Å; P113-Y181 HydrophobicContact CB-CE2 3.82Å; P113-Y181 HydrophobicContact CG-CE1 4.28Å; P113-Y181 HydrophobicContact CG-CE2 4.15Å; P176-Y181 HydrophobicContact CB-CD1 4.43Å; P176-Y181 HydrophobicContact CB-CD2 4.46Å; P176-Y181 HydrophobicContact CB-CG 3.97Å; P176-Y181 WeakPolarHBondContact O-CB 3.15Å; P176-Y181 PolarHBondContact O-N 3.36Å; V177-Y181 WeakPolarHBondContact CA-O 3.14Å; V179-Y181 HydrophobicContact CG2-CD2 4.28Å; Y181-L183 HydrophobicContact CD1-CD2 4.18Å; Y181-L183 HydrophobicContact CG-CD2 4.46Å; Y181-L183 PolarHBondContact O-N 3.18Å
182E96.4Very high97.8Very high132 Ų13239.1 Ų39.162%0.61723%0.233SC*.  trans-80.857.1177.6-58.7-173.2119.700112.2G180 F184 K185G180-E182 PolarHBondContact O-N 2.99Å; E182-F184 PolarHBondContact O-N 3.36Å; E182-K185 HydrophobicContact CB-CB 3.94Å; E182-K185 HydrophobicContact CB-CD 4.17Å; E182-K185 WeakPolarHBondContact O-CB 3.4Å; E182-K185 PolarHBondContact O-N 2.91Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 WeakPolarHBondContact OE2-CD 3.42Å; E182-K185 IonicContact OE2-NZ 2.93Å; E182-K185 PolarHBondContact OE2-NZ 3.2Å
183L97.4Very high97.8Very high12 Ų1239 Ų396%0.06323%0.232CC..THydrogen-bonded Turntrans-56.3-27.9-171-59.4-171000114.9F110 I139 L143 L173 P176 V177 Y181 R187F110-L183 HydrophobicContact CD1-CD1 4.22Å; F110-L183 HydrophobicContact CE1-CD1 4.18Å; I139-L183 HydrophobicContact CG2-CD2 3.94Å; L143-L183 HydrophobicContact CD1-CB 4.19Å; L143-L183 HydrophobicContact CD1-CD2 4.2Å; L173-L183 HydrophobicContact CB-CD1 4.34Å; L173-L183 HydrophobicContact CG-CD1 4.19Å; L173-L183 WeakPolarHBondContact O-CD1 3.18Å; P176-L183 HydrophobicContact CB-CD1 3.92Å; P176-L183 HydrophobicContact CB-CD2 4.18Å; P176-L183 HydrophobicContact CB-CG 4.2Å; P176-L183 HydrophobicContact CG-CD1 4Å; V177-L183 HydrophobicContact CG2-CB 4.43Å; V177-L183 HydrophobicContact CG2-CD1 4.24Å; V177-L183 HydrophobicContact CG2-CG 4.16Å; Y181-L183 HydrophobicContact CD1-CD2 4.18Å; Y181-L183 HydrophobicContact CG-CD2 4.46Å; Y181-L183 PolarHBondContact O-N 3.18Å; L183-R187 VanDerWaalsContact O-CD 3.29Å; L183-R187 WeakPolarHBondContact O-CD 3.32Å
184F97.9Very high97.8Very high25 Ų2541.7 Ų41.711%0.1124%0.242CC..THydrogen-bonded Turntrans-91.8-9.4-176-58.8-74.7000113.3L173 V177 E182 G186 R187 L190 A191 W193 R194L173-F184 HydrophobicContact CB-CZ 4.25Å; L173-F184 HydrophobicContact CD2-CE1 3.99Å; L173-F184 HydrophobicContact CD2-CZ 3.92Å; V177-F184 HydrophobicContact CG2-CD2 4.27Å; V177-F184 HydrophobicContact CG2-CE2 3.82Å; E182-F184 PolarHBondContact O-N 3.36Å; F184-G186 PolarHBondContact O-N 3.04Å; F184-R187 PolarHBondContact O-N 3.08Å; F184-R187 VanDerWaalsContact O-N 3.17Å; F184-L190 HydrophobicContact CD1-CB 4Å; F184-L190 HydrophobicContact CE1-CB 4.34Å; F184-A191 HydrophobicContact CB-CB 4.14Å; F184-W193 HydrophobicContact CE1-CE3 4.49Å; F184-W193 HydrophobicContact CE1-CZ3 4.3Å; F184-R194 HydrophobicContact CD1-CB 4.38Å; F184-R194 HydrophobicContact CE1-CB 3.92Å; F184-R194 HydrophobicContact CZ-CB 4.16Å; F184-R194 VanDerWaalsContact CZ-CD 3.48Å; F184-R194 HydrophobicContact CZ-CG 4.3Å
185K97.2Very high97.8Very high144 Ų14447.6 Ų47.663%0.62627%0.27SS*.THydrogen-bonded Turntrans-70.3130.7178.8-175.2172.8177.61730110E182 R187E182-K185 HydrophobicContact CB-CB 3.94Å; E182-K185 HydrophobicContact CB-CD 4.17Å; E182-K185 WeakPolarHBondContact O-CB 3.4Å; E182-K185 PolarHBondContact O-N 2.91Å; E182-K185 IonicContact OE1-NZ 2.78Å; E182-K185 WeakPolarHBondContact OE2-CD 3.42Å; E182-K185 IonicContact OE2-NZ 2.93Å; E182-K185 PolarHBondContact OE2-NZ 3.2Å; K185-R187 PolarHBondContact O-N 3.09Å
186G97.3Very high97.8Very high77 Ų7751 Ų5179%0.79428%0.282SS*.THydrogen-bonded Turntrans735.8-174.300000114.5F184 P188F184-G186 PolarHBondContact O-N 3.04Å; G186-P188 WeakPolarHBondContact O-CD 3.18Å
187R98.3Very high97.9Very high38 Ų3851 Ų5114%0.14328%0.282CS..  trans-124.168-179.6-55.6-172.2-170.8-91.65.1110.9D140 L183 F184 K185 R189 L190 A191D140-R187 IonicContact OD1-CZ 3.39Å; D140-R187 IonicContact OD1-NH2 2.91Å; D140-R187 PolarHBondContact OD1-NH2 3.13Å; L183-R187 VanDerWaalsContact O-CD 3.29Å; L183-R187 WeakPolarHBondContact O-CD 3.32Å; F184-R187 PolarHBondContact O-N 3.08Å; F184-R187 VanDerWaalsContact O-N 3.17Å; K185-R187 PolarHBondContact O-N 3.09Å; R187-R189 VanDerWaalsContact C-N 3.28Å; R187-R189 PolarHBondContact O-N 2.81Å; R187-L190 HydrophobicContact CB-CB 4.14Å; R187-L190 HydrophobicContact CB-CD1 4.2Å; R187-L190 PolarHBondContact O-N 2.49Å; R187-L190 VanDerWaalsContact O-N 3.08Å; R187-A191 PolarHBondContact O-N 3.01Å
188P98.1Very high97.9Very high98 Ų9851.7 Ų51.764%0.63628%0.283SS*.Hα-helixtrans-60.2-32.6-169.123.4-34.2000113.8G186 A191 A192G186-P188 WeakPolarHBondContact O-CD 3.18Å; P188-A191 PolarHBondContact O-N 3.35Å; P188-A192 VanDerWaalsContact O-CB 3.29Å; P188-A192 WeakPolarHBondContact O-CB 3.1Å; P188-A192 PolarHBondContact O-N 3.5Å
189R98.3Very high98Very high90 Ų9055.2 Ų55.234%0.3431%0.312SS..Hα-helixtrans-67.6-41.6176.7-68.6-178.1-67.6-172.23.3111.9E147 N148 L151 R187 W193E147-R189 HydrophobicContact CG-CB 4.02Å; E147-R189 IonicContact OE1-CZ 2.74Å; E147-R189 VanDerWaalsContact OE1-CZ 3.3Å; E147-R189 IonicContact OE1-NE 3.96Å; E147-R189 PolarHBondContact OE1-NE 3.38Å; E147-R189 IonicContact OE1-NH2 2.59Å; E147-R189 PolarHBondContact OE1-NH2 2.87Å; N148-R189 PolarHBondContact OD1-NH2 3.1Å; L151-R189 HydrophobicContact CD2-CB 3.9Å; L151-R189 WeakPolarHBondContact CD2-O 3.47Å; R187-R189 VanDerWaalsContact C-N 3.28Å; R187-R189 PolarHBondContact O-N 2.81Å; R189-W193 WeakPolarHBondContact O-CB 3.32Å; R189-W193 PolarHBondContact O-N 2.89Å
190L98.7Very high98.1Very high0 Ų058.5 Ų58.50%033%0.327CS..Hα-helixtrans-70.2-38.4176-71.1177.4000112L143 L146 E147 L151 F184 R187 W193 R194L143-L190 HydrophobicContact CB-CD1 4.32Å; L143-L190 HydrophobicContact CD2-CD1 4.05Å; L146-L190 HydrophobicContact CD2-CD2 3.9Å; L146-L190 HydrophobicContact CG-CD2 4.06Å; E147-L190 HydrophobicContact CB-CD1 4.02Å; E147-L190 HydrophobicContact CB-CD2 4.17Å; E147-L190 HydrophobicContact CB-CG 3.91Å; E147-L190 HydrophobicContact CG-CD1 4.41Å; E147-L190 HydrophobicContact CG-CD2 4.41Å; E147-L190 HydrophobicContact CG-CG 3.91Å; L151-L190 HydrophobicContact CD2-CD2 4.11Å; F184-L190 HydrophobicContact CD1-CB 4Å; F184-L190 HydrophobicContact CE1-CB 4.34Å; R187-L190 HydrophobicContact CB-CB 4.14Å; R187-L190 HydrophobicContact CB-CD1 4.2Å; R187-L190 PolarHBondContact O-N 2.49Å; R187-L190 VanDerWaalsContact O-N 3.08Å; L190-W193 HydrophobicContact CD2-CE3 4.35Å; L190-W193 PolarHBondContact O-N 3.4Å; L190-R194 WeakPolarHBondContact O-CB 3.37Å; L190-R194 PolarHBondContact O-N 3.19Å
191A98.6Very high98.2Very high26 Ų2655.9 Ų55.922%0.21530%0.298CS..Hα-helixtrans-59-50.417300000110.9F184 R187 P188 W193 R194 E195F184-A191 HydrophobicContact CB-CB 4.14Å; R187-A191 PolarHBondContact O-N 3.01Å; P188-A191 PolarHBondContact O-N 3.35Å; A191-W193 VanDerWaalsContact C-N 3.33Å; A191-W193 PolarHBondContact O-N 2.85Å; A191-R194 WeakPolarHBondContact O-CB 3.5Å; A191-R194 PolarHBondContact O-N 2.88Å; A191-E195 WeakPolarHBondContact O-CG 3.36Å; A191-E195 PolarHBondContact O-N 3.2Å
192A98.6Very high98.3Very high30 Ų3055.5 Ų55.525%0.24830%0.304CS..Hα-helixtrans-65-34.9177.900000112.8P188 R196P188-A192 VanDerWaalsContact O-CB 3.29Å; P188-A192 WeakPolarHBondContact O-CB 3.1Å; P188-A192 PolarHBondContact O-N 3.5Å; A192-R196 WeakPolarHBondContact O-CG 3.33Å; A192-R196 PolarHBondContact O-N 3.1Å; A192-R196 PolarHBondContact O-NH1 3.02Å
193W98.8Very high98.3Very high0 Ų053.1 Ų53.10%031%0.308CS..Hα-helixtrans-62.7-47.6172.6162.477.7000111.4L151 L157 D166 A169 L170 L173 F184 R189 L190 A191 E195 R196 V197L151-W193 HydrophobicContact CD1-CB 4.05Å; L151-W193 HydrophobicContact CD1-CG 4.11Å; L151-W193 HydrophobicContact CD2-CB 3.75Å; L151-W193 HydrophobicContact CD2-CG 4.34Å; L157-W193 HydrophobicContact CD1-CH2 4.41Å; L157-W193 HydrophobicContact CD1-CZ2 3.68Å; L157-W193 HydrophobicContact CG-CZ2 4.09Å; D166-W193 HydrophobicContact CB-CZ2 4.27Å; D166-W193 PolarHBondContact OD1-NE1 3.15Å; A169-W193 HydrophobicContact CB-CH2 3.71Å; A169-W193 HydrophobicContact CB-CZ2 3.81Å; L170-W193 HydrophobicContact CB-CH2 4.03Å; L173-W193 HydrophobicContact CD2-CZ3 4.05Å; F184-W193 HydrophobicContact CE1-CE3 4.49Å; F184-W193 HydrophobicContact CE1-CZ3 4.3Å; R189-W193 WeakPolarHBondContact O-CB 3.32Å; R189-W193 PolarHBondContact O-N 2.89Å; L190-W193 HydrophobicContact CD2-CE3 4.35Å; L190-W193 PolarHBondContact O-N 3.4Å; A191-W193 VanDerWaalsContact C-N 3.33Å; A191-W193 PolarHBondContact O-N 2.85Å; W193-E195 VanDerWaalsContact C-N 3.34Å; W193-E195 PolarHBondContact O-N 3.25Å; W193-R196 PolarHBondContact O-N 3.23Å; W193-V197 HydrophobicContact CD2-CG2 4.47Å; W193-V197 HydrophobicContact CZ2-CG2 4.22Å; W193-V197 WeakPolarHBondContact O-CG2 3.39Å; W193-V197 PolarHBondContact O-N 3.42Å
194R98.7Very high98.3Very high56 Ų5660.1 Ų60.121%0.21134%0.34CS..Hα-helixtrans-56.6-49.2175.8170.3178.2177-167.3-1.6111.1L170 F184 L190 A191 R196 V197 E198L170-R194 HydrophobicContact CD1-CG 3.95Å; F184-R194 HydrophobicContact CD1-CB 4.38Å; F184-R194 HydrophobicContact CE1-CB 3.92Å; F184-R194 HydrophobicContact CZ-CB 4.16Å; F184-R194 VanDerWaalsContact CZ-CD 3.48Å; F184-R194 HydrophobicContact CZ-CG 4.3Å; L190-R194 WeakPolarHBondContact O-CB 3.37Å; L190-R194 PolarHBondContact O-N 3.19Å; A191-R194 WeakPolarHBondContact O-CB 3.5Å; A191-R194 PolarHBondContact O-N 2.88Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 2.8Å; R194-V197 PolarHBondContact O-N 3.33Å; R194-V197 VanDerWaalsContact O-N 3.14Å; R194-E198 HydrophobicContact CG-CG 4.21Å; R194-E198 IonicContact CZ-OE1 2.72Å; R194-E198 VanDerWaalsContact CZ-OE1 3.29Å; R194-E198 IonicContact NE-OE1 3.62Å; R194-E198 PolarHBondContact NE-OE1 3.14Å; R194-E198 IonicContact NE-OE2 3.79Å; R194-E198 IonicContact NH2-OE1 3.26Å; R194-E198 PolarHBondContact NH2-OE1 3.45Å; R194-E198 IonicContact NH2-OE2 3.3Å; R194-E198 PolarHBondContact O-N 2.95Å
195E98.6Very high98.4Very high128 Ų12859.9 Ų59.960%0.59834%0.339SS*.Hα-helixtrans-57.7-42.8178.7-73173-174.200111.8A191 W193 A199A191-E195 WeakPolarHBondContact O-CG 3.36Å; A191-E195 PolarHBondContact O-N 3.2Å; W193-E195 VanDerWaalsContact C-N 3.34Å; W193-E195 PolarHBondContact O-N 3.25Å; E195-A199 WeakPolarHBondContact O-CB 3.43Å; E195-A199 PolarHBondContact O-N 3.03Å
196R98.8Very high98.4Very high78 Ų7853.5 Ų53.529%0.29431%0.313SS..Hα-helixtrans-62.1-43.3175.5-75-173.8-64.1-88.55.9112.4L155 F156 A192 W193 R194 F200L155-R196 PolarHBondContact O-NE 3.5Å; L155-R196 PolarHBondContact O-NH2 3.48Å; F156-R196 HydrophobicContact CE1-CB 4.14Å; F156-R196 HydrophobicContact CZ-CB 4.16Å; A192-R196 WeakPolarHBondContact O-CG 3.33Å; A192-R196 PolarHBondContact O-N 3.1Å; A192-R196 PolarHBondContact O-NH1 3.02Å; W193-R196 PolarHBondContact O-N 3.23Å; R194-R196 VanDerWaalsContact C-N 3.3Å; R194-R196 PolarHBondContact O-N 2.8Å; R196-F200 WeakPolarHBondContact O-CB 3.04Å; R196-F200 PolarHBondContact O-N 3.35Å
197V98.9Very high98.4Very high1 Ų156.7 Ų56.71%0.00631%0.307CS..Hα-helixtrans-66.3-49.6178.51780000110.4F156 V162 D166 L170 W193 R194 A199 F200 L201F156-V197 HydrophobicContact CD1-CG2 3.9Å; F156-V197 HydrophobicContact CE1-CG2 3.79Å; V162-V197 HydrophobicContact CG2-CG1 4.48Å; D166-V197 HydrophobicContact CB-CG2 3.98Å; L170-V197 HydrophobicContact CD2-CB 4.27Å; L170-V197 HydrophobicContact CD2-CG1 3.6Å; W193-V197 HydrophobicContact CD2-CG2 4.47Å; W193-V197 HydrophobicContact CZ2-CG2 4.22Å; W193-V197 WeakPolarHBondContact O-CG2 3.39Å; W193-V197 PolarHBondContact O-N 3.42Å; R194-V197 PolarHBondContact O-N 3.33Å; R194-V197 VanDerWaalsContact O-N 3.14Å; V197-A199 VanDerWaalsContact C-N 3.35Å; V197-A199 PolarHBondContact O-N 3.15Å; V197-F200 PolarHBondContact O-N 3.47Å; V197-L201 HydrophobicContact CG1-CD1 3.9Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-L201 VanDerWaalsContact O-CG 3.29Å; V197-L201 WeakPolarHBondContact O-CG 3.42Å; V197-L201 PolarHBondContact O-N 2.9Å
198E98.6Very high98.4Very high47 Ų4758.7 Ų58.722%0.2232%0.318CS..Hα-helixtrans-62.1-40.7179.1-72.5-179.7167.100112L170 R194 F200 L201 G202L170-E198 HydrophobicContact CD2-CG 4.15Å; R194-E198 HydrophobicContact CG-CG 4.21Å; R194-E198 IonicContact CZ-OE1 2.72Å; R194-E198 VanDerWaalsContact CZ-OE1 3.29Å; R194-E198 IonicContact NE-OE1 3.62Å; R194-E198 PolarHBondContact NE-OE1 3.14Å; R194-E198 IonicContact NE-OE2 3.79Å; R194-E198 IonicContact NH2-OE1 3.26Å; R194-E198 PolarHBondContact NH2-OE1 3.45Å; R194-E198 IonicContact NH2-OE2 3.3Å; R194-E198 PolarHBondContact O-N 2.95Å; E198-F200 VanDerWaalsContact C-N 3.35Å; E198-F200 PolarHBondContact O-N 3.43Å; E198-L201 PolarHBondContact O-N 2.95Å; E198-G202 PolarHBondContact O-N 3.41Å
199A98.7Very high98.4Very high81 Ų8154 Ų5467%0.66929%0.288SS*.Hα-helixtrans-62.4-41.4175.300000112E195 V197E195-A199 WeakPolarHBondContact O-CB 3.43Å; E195-A199 PolarHBondContact O-N 3.03Å; V197-A199 VanDerWaalsContact C-N 3.35Å; V197-A199 PolarHBondContact O-N 3.15Å
200F98.8Very high98.4Very high73 Ų7350 Ų5032%0.3227%0.273SS..Hα-helixtrans-64.6-44.6174.9170.7-87.3000111.8K23 H83 W84 V162 R196 V197 E198K23-F200 WeakPolarHBondContact CE-O 3.31Å; K23-F200 HydrophobicContact CG-CE1 4.36Å; K23-F200 PolarHBondContact NZ-O 3.27Å; H83-F200 AromaticContact CE1-CZ 3.61Å; H83-F200 AromaticContact NE2-CZ 3.98Å; W84-F200 HydrophobicContact CH2-CD1 4.42Å; W84-F200 AromaticContact CH2-CE1 3.65Å; W84-F200 HydrophobicContact CH2-CE1 3.65Å; W84-F200 HydrophobicContact CH2-CZ 4.49Å; W84-F200 AromaticContact CZ2-CE1 3.44Å; W84-F200 HydrophobicContact CZ2-CE1 3.44Å; W84-F200 VanDerWaalsContact CZ2-CE1 3.44Å; W84-F200 AromaticContact CZ2-CZ 3.94Å; W84-F200 HydrophobicContact CZ2-CZ 3.94Å; V162-F200 HydrophobicContact CB-CD1 4.31Å; V162-F200 HydrophobicContact CB-CG 4.49Å; V162-F200 HydrophobicContact CG1-CD1 3.58Å; V162-F200 HydrophobicContact CG1-CD2 3.93Å; V162-F200 HydrophobicContact CG1-CE1 3.45Å; V162-F200 VanDerWaalsContact CG1-CE1 3.45Å; V162-F200 HydrophobicContact CG1-CE2 3.78Å; V162-F200 HydrophobicContact CG1-CG 3.83Å; V162-F200 HydrophobicContact CG1-CZ 3.54Å; V162-F200 HydrophobicContact CG2-CD1 4.29Å; R196-F200 WeakPolarHBondContact O-CB 3.04Å; R196-F200 PolarHBondContact O-N 3.35Å; V197-F200 PolarHBondContact O-N 3.47Å; E198-F200 VanDerWaalsContact C-N 3.35Å; E198-F200 PolarHBondContact O-N 3.43Å
201L98.6Very high98.3Very high4 Ų453.4 Ų53.42%0.02130%0.297CS..Hα-helixtrans-66-41.6-178.5-69.2177.3000111.5I19 K23 W84 L167 L170 V197 E198I19-L201 HydrophobicContact CG2-CD1 3.99Å; I19-L201 HydrophobicContact CG2-CD2 3.59Å; I19-L201 HydrophobicContact CG2-CG 4.34Å; K23-L201 HydrophobicContact CG-CD2 4.33Å; K23-L201 PolarHBondContact NZ-O 2.91Å; W84-L201 HydrophobicContact CH2-CD2 4Å; L167-L201 HydrophobicContact CD1-CD1 4.22Å; L170-L201 HydrophobicContact CD2-CD1 4.19Å; V197-L201 HydrophobicContact CG1-CD1 3.9Å; V197-L201 HydrophobicContact CG1-CG 4.28Å; V197-L201 VanDerWaalsContact O-CG 3.29Å; V197-L201 WeakPolarHBondContact O-CG 3.42Å; V197-L201 PolarHBondContact O-N 2.9Å; E198-L201 PolarHBondContact O-N 2.95Å
202G98.5Very high98.1Very high25 Ų2555.1 Ų55.126%0.25830%0.302SS..  trans100.5137.2-177.400000111.7E198 E204 L205 C206E198-G202 PolarHBondContact O-N 3.41Å; G202-E204 VanDerWaalsContact C-N 3.34Å; G202-E204 PolarHBondContact O-N 2.96Å; G202-L205 PolarHBondContact O-N 2.91Å; G202-C206 PolarHBondContact O-N 3.48Å; G202-C206 VanDerWaalsContact O-N 3.14Å; G202-C206 PolarHBondContact O-SG 3.31Å
203A96.9Very high98Very high83 Ų8353.7 Ų53.769%0.68629%0.29SS*.Hα-helixtrans-58.9-40.9-171.500000113.6C206 Q207A203-C206 PolarHBondContact O-N 3.48Å; A203-Q207 VanDerWaalsContact O-CB 3.3Å; A203-Q207 WeakPolarHBondContact O-CB 3.24Å; A203-Q207 PolarHBondContact O-N 3.26Å
204E98.3Very high97.8Very high159 Ų15958 Ų5874%0.74331%0.313SS*.Hα-helixtrans-61.5-46.3-179.6-174.5179.5-175.200111.8G202 Q207 E208G202-E204 VanDerWaalsContact C-N 3.34Å; G202-E204 PolarHBondContact O-N 2.96Å; E204-Q207 PolarHBondContact O-N 3.02Å; E204-E208 WeakPolarHBondContact O-CB 3.46Å; E204-E208 PolarHBondContact O-N 2.95Å
205L98.5Very high97.7Very high19 Ų1957 Ų5710%0.09931%0.314CS..Hα-helixtrans-67.7-40.7179.7179.958.3000111.9Y18 I19 K22 K23 G202 E208 A209Y18-L205 HydrophobicContact CE1-CD1 4.4Å; I19-L205 HydrophobicContact CG1-CG 4.47Å; I19-L205 HydrophobicContact CG2-CD2 3.96Å; I19-L205 HydrophobicContact CG2-CG 4.4Å; K22-L205 HydrophobicContact CB-CD1 3.63Å; K22-L205 HydrophobicContact CB-CD2 4.25Å; K22-L205 HydrophobicContact CG-CD1 4.15Å; K23-L205 HydrophobicContact CB-CD2 3.8Å; K23-L205 HydrophobicContact CD-CD2 4.32Å; G202-L205 PolarHBondContact O-N 2.91Å; L205-E208 PolarHBondContact O-N 2.75Å; L205-A209 WeakPolarHBondContact O-CB 3.29Å; L205-A209 PolarHBondContact O-N 3.33Å
206C98.1Very high97.5Very high10 Ų1051 Ų517%0.06829%0.286CS..Hα-helixtrans-61.3-47.2174-67.20000110.7G202 A203 E208 A209 H210G202-C206 PolarHBondContact O-N 3.48Å; G202-C206 VanDerWaalsContact O-N 3.14Å; G202-C206 PolarHBondContact O-SG 3.31Å; A203-C206 PolarHBondContact O-N 3.48Å; C206-E208 PolarHBondContact O-N 2.87Å; C206-A209 PolarHBondContact O-N 3.17Å; C206-H210 VanDerWaalsContact O-CB 3.31Å; C206-H210 WeakPolarHBondContact O-CB 3.48Å; C206-H210 VanDerWaalsContact O-CG 3.23Å; C206-H210 PolarHBondContact O-N 3.48Å; C206-H210 PolarHBondContact O-ND1 3.21Å; C206-H210 VanDerWaalsContact O-ND1 3.15Å
207Q97.5Very high97.2Very high144 Ų14450.2 Ų50.267%0.67329%0.288SS*.Hα-helixtrans-59.6-45.6177.8-175.8179.15.100111.6A203 E204 H210 S211A203-Q207 VanDerWaalsContact O-CB 3.3Å; A203-Q207 WeakPolarHBondContact O-CB 3.24Å; A203-Q207 PolarHBondContact O-N 3.26Å; E204-Q207 PolarHBondContact O-N 3.02Å; Q207-H210 PolarHBondContact O-N 3.02Å; Q207-S211 VanDerWaalsContact O-CB 3.25Å; Q207-S211 WeakPolarHBondContact O-CB 3.46Å; Q207-S211 PolarHBondContact O-N 3.45Å
208E97.6Very high97Very high81 Ų8155.4 Ų55.438%0.37931%0.312SS..Hα-helixtrans-60-49.7177.4-174-175.2173.400111.4Y18 K22 E204 L205 C206 H210Y18-E208 HydrophobicContact CE1-CG 4.29Å; Y18-E208 PolarHBondContact OH-OE1 2.79Å; K22-E208 IonicContact NZ-OE1 3.67Å; E204-E208 WeakPolarHBondContact O-CB 3.46Å; E204-E208 PolarHBondContact O-N 2.95Å; L205-E208 PolarHBondContact O-N 2.75Å; C206-E208 PolarHBondContact O-N 2.87Å; E208-H210 VanDerWaalsContact C-N 3.35Å; E208-H210 PolarHBondContact O-N 3.03Å
209A98Very high96.7Very high0 Ų055.6 Ų55.60%031%0.312CS..Hα-helixtrans-67.1-34.1-178.100000112.9R15 Y18 I19 L205 C206R15-A209 WeakPolarHBondContact CD-O 3.37Å; Y18-A209 HydrophobicContact CD1-CB 4.25Å; I19-A209 HydrophobicContact CD1-CB 3.64Å; I19-A209 HydrophobicContact CG1-CB 3.52Å; L205-A209 WeakPolarHBondContact O-CB 3.29Å; L205-A209 PolarHBondContact O-N 3.33Å; C206-A209 PolarHBondContact O-N 3.17Å
210H98.4Very high96.4Very high5 Ų553.2 Ų53.22%0.02329%0.293CS..Hα-helixtrans-95.4-12.4-175.3-57.2145.2000114.3E171 C206 Q207 E208 L212 I213 L214E171-H210 VanDerWaalsContact CD-NE2 3.28Å; E171-H210 IonicContact OE1-CD2 2.91Å; E171-H210 IonicContact OE1-CE1 2.95Å; E171-H210 IonicContact OE1-NE2 2.8Å; E171-H210 PolarHBondContact OE1-NE2 3.37Å; E171-H210 IonicContact OE2-CD2 3.85Å; E171-H210 PolarHBondContact OE2-CD2 3.22Å; E171-H210 IonicContact OE2-NE2 3.7Å; E171-H210 PolarHBondContact OE2-NE2 2.91Å; C206-H210 VanDerWaalsContact O-CB 3.31Å; C206-H210 WeakPolarHBondContact O-CB 3.48Å; C206-H210 VanDerWaalsContact O-CG 3.23Å; C206-H210 PolarHBondContact O-N 3.48Å; C206-H210 PolarHBondContact O-ND1 3.21Å; C206-H210 VanDerWaalsContact O-ND1 3.15Å; Q207-H210 PolarHBondContact O-N 3.02Å; E208-H210 VanDerWaalsContact C-N 3.35Å; E208-H210 PolarHBondContact O-N 3.03Å; H210-L212 VanDerWaalsContact C-N 3.32Å; H210-L212 PolarHBondContact O-N 2.93Å; H210-I213 HydrophobicContact CB-CG2 4.13Å; H210-I213 WeakPolarHBondContact O-CG2 3.19Å; H210-I213 PolarHBondContact O-N 3.16Å; H210-I213 VanDerWaalsContact O-N 3.09Å; H210-L214 HydrophobicContact CB-CD1 3.77Å; H210-L214 HydrophobicContact CB-CG 4.06Å; H210-L214 WeakPolarHBondContact O-CB 3.3Å; H210-L214 WeakPolarHBondContact O-CG 3.29Å; H210-L214 PolarHBondContact O-N 2.98Å
211S96.8Very high96.2Very high71 Ų7153.8 Ų53.850%0.49731%0.311SS..Hα-helixtrans-52-45.4-175.41750000113.8Q207 I213 S215Q207-S211 VanDerWaalsContact O-CB 3.25Å; Q207-S211 WeakPolarHBondContact O-CB 3.46Å; Q207-S211 PolarHBondContact O-N 3.45Å; S211-I213 PolarHBondContact O-N 3.09Å; S211-S215 PolarHBondContact O-N 3.22Å; S211-S215 PolarHBondContact O-OG 2.99Å
212L95.3Very high96Very high63 Ų6360 Ų6033%0.3334%0.338SS..Hα-helixtrans-65-42.1-179.9179.359.5000112.3L9 L10 H210 S215L9-L212 HydrophobicContact CB-CB 4.4Å; L9-L212 HydrophobicContact CB-CD2 4.19Å; L10-L212 HydrophobicContact CB-CD2 4.2Å; H210-L212 VanDerWaalsContact C-N 3.32Å; H210-L212 PolarHBondContact O-N 2.93Å; L212-S215 PolarHBondContact O-OG 2.94Å
213I96.1Very high95.7Very high0 Ų067.9 Ų67.90%037%0.365CS..Hα-helixtrans-76.5-36.8-177.3-17964.4000111.2L10 M114 Q175 A178 H210 S211 S215 I216L10-I213 HydrophobicContact CD1-CD1 3.68Å; M114-I213 HydrophobicContact CE-CD1 3.3Å; Q175-I213 VanDerWaalsContact CD-CD1 3.48Å; Q175-I213 HydrophobicContact CG-CD1 4.47Å; A178-I213 HydrophobicContact CB-CD1 4.16Å; A178-I213 HydrophobicContact CB-CG1 3.54Å; H210-I213 HydrophobicContact CB-CG2 4.13Å; H210-I213 WeakPolarHBondContact O-CG2 3.19Å; H210-I213 PolarHBondContact O-N 3.16Å; H210-I213 VanDerWaalsContact O-N 3.09Å; S211-I213 PolarHBondContact O-N 3.09Å; I213-S215 VanDerWaalsContact C-N 3.3Å; I213-S215 PolarHBondContact O-N 2.88Å; I213-I216 HydrophobicContact CD1-CG2 4.25Å; I213-I216 VanDerWaalsContact O-CB 3.31Å; I213-I216 WeakPolarHBondContact O-CB 3.28Å; I213-I216 WeakPolarHBondContact O-CG2 3.14Å; I213-I216 PolarHBondContact O-N 2.98Å
214L95.1Very high95.6Very high91 Ų9168 Ų6848%0.47636%0.358SS..Hα-helixtrans-69.9-25.2179.5-68.3174.7000113.3M174 A178 H210M174-L214 HydrophobicContact CE-CD2 4.39Å; A178-L214 HydrophobicContact CB-CD2 3.99Å; H210-L214 HydrophobicContact CB-CD1 3.77Å; H210-L214 HydrophobicContact CB-CG 4.06Å; H210-L214 WeakPolarHBondContact O-CB 3.3Å; H210-L214 WeakPolarHBondContact O-CG 3.29Å; H210-L214 PolarHBondContact O-N 2.98Å
215S95.1Very high95.3Very high33 Ų3361.3 Ų61.323%0.23133%0.327CS..THydrogen-bonded Turntrans-88.3-0.9175.458.70000113.8S211 L212 I213 L217 E218 Q219S211-S215 PolarHBondContact O-N 3.22Å; S211-S215 PolarHBondContact O-OG 2.99Å; L212-S215 PolarHBondContact O-OG 2.94Å; I213-S215 VanDerWaalsContact C-N 3.3Å; I213-S215 PolarHBondContact O-N 2.88Å; S215-L217 PolarHBondContact O-N 3Å; S215-E218 PolarHBondContact O-N 3.39Å; S215-Q219 WeakPolarHBondContact O-CG 3.22Å; S215-Q219 PolarHBondContact O-N 3.49Å; S215-Q219 PolarHBondContact OG-NE2 3.21Å
216I94.5Very high95Very high2 Ų262.1 Ų62.11%0.0133%0.333CS..Hα-helixtrans-66.8-38.2-168.8-161.670.8000113.7L10 M114 V118 V179 I213 E218 Q219 A220 L225L10-I216 HydrophobicContact CD1-CD1 3.76Å; L10-I216 HydrophobicContact CD1-CG1 4.09Å; L10-I216 HydrophobicContact CD2-CD1 4.49Å; M114-I216 HydrophobicContact CE-CG2 3.86Å; M114-I216 HydrophobicContact SD-CG1 4.2Å; M114-I216 HydrophobicContact SD-CG2 4.21Å; V118-I216 HydrophobicContact CG1-CG1 4.14Å; V179-I216 HydrophobicContact CG1-CG2 4.32Å; I213-I216 HydrophobicContact CD1-CG2 4.25Å; I213-I216 VanDerWaalsContact O-CB 3.31Å; I213-I216 WeakPolarHBondContact O-CB 3.28Å; I213-I216 WeakPolarHBondContact O-CG2 3.14Å; I213-I216 PolarHBondContact O-N 2.98Å; I216-E218 VanDerWaalsContact C-N 3.34Å; I216-Q219 PolarHBondContact O-N 3.24Å; I216-A220 WeakPolarHBondContact O-CB 3.37Å; I216-A220 PolarHBondContact O-N 2.95Å; I216-L225 HydrophobicContact CD1-CD2 3.57Å
217L93.1Very high94.7Very high63 Ų6366.8 Ų66.833%0.3336%0.362SS..Hα-helixtrans-65.8-40.2177.5-78.5-175.3000111.2V118 V179 S215 A220 A221V118-L217 HydrophobicContact CG2-CD2 3.87Å; V179-L217 HydrophobicContact CB-CD1 4.36Å; V179-L217 HydrophobicContact CB-CD2 4.32Å; V179-L217 HydrophobicContact CB-CG 4.4Å; V179-L217 HydrophobicContact CG1-CD2 4.09Å; V179-L217 HydrophobicContact CG1-CG 4.18Å; S215-L217 PolarHBondContact O-N 3Å; L217-A220 PolarHBondContact O-N 3.24Å; L217-A221 WeakPolarHBondContact O-CB 3.26Å; L217-A221 PolarHBondContact O-N 3.23Å
218E94.3Very high94.5Very high110 Ų11060.1 Ų60.151%0.51433%0.33SS..Hα-helixtrans-63.8-44.4175.9-173.9-174.9171.900110.9S215 I216 A220 A221 K222S215-E218 PolarHBondContact O-N 3.39Å; I216-E218 VanDerWaalsContact C-N 3.34Å; E218-A220 VanDerWaalsContact C-N 3.34Å; E218-A220 PolarHBondContact O-N 2.9Å; E218-A221 PolarHBondContact O-N 3.26Å; E218-K222 HydrophobicContact CG-CD 4.02Å; E218-K222 WeakPolarHBondContact O-CB 3.4Å; E218-K222 WeakPolarHBondContact O-CG 3.43Å; E218-K222 PolarHBondContact O-N 3.13Å; E218-K222 WeakPolarHBondContact OE1-CE 3.41Å; E218-K222 IonicContact OE1-NZ 2.6Å; E218-K222 PolarHBondContact OE1-NZ 3.09Å
219Q93.3Very high94.3Very high50 Ų5058 Ų5823%0.23432%0.324CS..Hα-helixtrans-62.2-40.9176.1-68.4178.94800112.1S215 I216 K223 T224 L225S215-Q219 WeakPolarHBondContact O-CG 3.22Å; S215-Q219 PolarHBondContact O-N 3.49Å; S215-Q219 PolarHBondContact OG-NE2 3.21Å; I216-Q219 PolarHBondContact O-N 3.24Å; Q219-K223 PolarHBondContact O-N 3.16Å; Q219-T224 VanDerWaalsContact CA-OG1 3.24Å; Q219-T224 WeakPolarHBondContact CA-OG1 3.5Å; Q219-T224 WeakPolarHBondContact CB-OG1 3.27Å; Q219-T224 PolarHBondContact O-N 2.89Å; Q219-T224 PolarHBondContact O-OG1 3.34Å; Q219-L225 HydrophobicContact CB-CD2 3.75Å; Q219-L225 HydrophobicContact CB-CG 4.03Å
220A92.6Very high93.9Very high31 Ų3162.7 Ų62.726%0.25635%0.354SS..Hα-helixtrans-63.4-47.4175.900000111.6V118 I216 L217 E218 K222 K223 L225V118-A220 HydrophobicContact CG1-CB 4.1Å; V118-A220 HydrophobicContact CG2-CB 4.4Å; I216-A220 WeakPolarHBondContact O-CB 3.37Å; I216-A220 PolarHBondContact O-N 2.95Å; L217-A220 PolarHBondContact O-N 3.24Å; E218-A220 VanDerWaalsContact C-N 3.34Å; E218-A220 PolarHBondContact O-N 2.9Å; A220-K222 PolarHBondContact O-N 3.44Å; A220-K223 PolarHBondContact O-N 3Å; A220-K223 VanDerWaalsContact O-N 3.09Å; A220-L225 HydrophobicContact CB-CD1 3.81Å
221A92.8Very high93.4Very high85 Ų8568.5 Ų68.570%0.70238%0.381SS*.Hα-helixtrans-62.9-40.1178.900000112.3L217 E218 K223L217-A221 WeakPolarHBondContact O-CB 3.26Å; L217-A221 PolarHBondContact O-N 3.23Å; E218-A221 PolarHBondContact O-N 3.26Å; A221-K223 PolarHBondContact O-N 3.39Å
222K95.3Very high93.1Very high134 Ų13465.3 Ų65.358%0.58336%0.359SS*.THydrogen-bonded Turntrans-79.3-1.8176.1-67.6-179.8176.6178.20113.7E218 A220 T224E218-K222 HydrophobicContact CG-CD 4.02Å; E218-K222 WeakPolarHBondContact O-CB 3.4Å; E218-K222 WeakPolarHBondContact O-CG 3.43Å; E218-K222 PolarHBondContact O-N 3.13Å; E218-K222 WeakPolarHBondContact OE1-CE 3.41Å; E218-K222 IonicContact OE1-NZ 2.6Å; E218-K222 PolarHBondContact OE1-NZ 3.09Å; A220-K222 PolarHBondContact O-N 3.44Å; K222-T224 HydrophobicContact CB-CG2 3.91Å; K222-T224 PolarHBondContact O-N 2.87Å
223K92.4Very high92.9Very high191 Ų19166.2 Ų66.283%0.8336%0.358SS*.THydrogen-bonded Turntrans54.137-175.5-57.3-176.9178.1179.80113.3Q219 A220 A221Q219-K223 PolarHBondContact O-N 3.16Å; A220-K223 PolarHBondContact O-N 3Å; A220-K223 VanDerWaalsContact O-N 3.09Å; A221-K223 PolarHBondContact O-N 3.39Å
224T94.2Very high92.7Very high87 Ų8770 Ų7053%0.53438%0.383SS..  trans-95.5-3.8177.959.50000113.2Q219 K222Q219-T224 VanDerWaalsContact CA-OG1 3.24Å; Q219-T224 WeakPolarHBondContact CA-OG1 3.5Å; Q219-T224 WeakPolarHBondContact CB-OG1 3.27Å; Q219-T224 PolarHBondContact O-N 2.89Å; Q219-T224 PolarHBondContact O-OG1 3.34Å; K222-T224 HydrophobicContact CB-CG2 3.91Å; K222-T224 PolarHBondContact O-N 2.87Å
225L92.9Very high92.6Very high17 Ų1767.5 Ų67.59%0.08937%0.372CS..SBendtrans-65.2140171.3-66.1177.5000110.6I36 V118 L122 I216 Q219 A220I36-L225 HydrophobicContact CD1-CD2 4.06Å; V118-L225 HydrophobicContact CG1-CD1 3.54Å; L122-L225 HydrophobicContact CD1-CB 4.21Å; I216-L225 HydrophobicContact CD1-CD2 3.57Å; Q219-L225 HydrophobicContact CB-CD2 3.75Å; Q219-L225 HydrophobicContact CB-CG 4.03Å; A220-L225 HydrophobicContact CB-CD1 3.81Å
226P92.6Very high92.6Very high36 Ų3666.3 Ų66.323%0.23436%0.363CS..PPolyproline II helixtrans-66.1143.1176.326.3-30.3000110.3I36 K37 P228I36-P226 HydrophobicContact CB-CG 3.95Å; I36-P226 HydrophobicContact CG2-CG 3.7Å; I36-P226 VanDerWaalsContact CG2-O 3.27Å; I36-P226 WeakPolarHBondContact CG2-O 3.18Å; K37-P226 HydrophobicContact CD-CB 4.29Å; K37-P226 HydrophobicContact CD-CG 4.45Å; K37-P226 HydrophobicContact CG-CB 3.61Å; K37-P226 HydrophobicContact CG-CG 3.67Å; P226-P228 WeakPolarHBondContact O-CD 3.44Å
227T91.1Very high92.7Very high109 Ų10970.1 Ų70.167%0.66938%0.383SS*.PPolyproline II helixtrans-66.1124.8170.1-51.60000108.8
228P93.6Very high92.8Very high3 Ų371.3 Ų71.32%0.01939%0.389CS..PPolyproline II helixtrans-62.9142.9176.4-16.628.8000109.8I36 L122 I123 P226 V232 Y233 M236I36-P228 HydrophobicContact CG2-CG 4.09Å; I36-P228 VanDerWaalsContact O-CA 3.3Å; I36-P228 WeakPolarHBondContact O-CA 3.41Å; I36-P228 WeakPolarHBondContact O-CB 3.48Å; L122-P228 HydrophobicContact CD2-CG 3.63Å; L122-P228 HydrophobicContact CG-CG 3.96Å; I123-P228 HydrophobicContact CG2-CG 4.01Å; P226-P228 WeakPolarHBondContact O-CD 3.44Å; P228-V232 HydrophobicContact CB-CB 4.41Å; P228-Y233 HydrophobicContact CB-CD1 4.26Å; P228-Y233 HydrophobicContact CB-CE1 3.87Å; P228-Y233 HydrophobicContact CG-CE1 4.48Å; P228-Y233 WeakPolarHBondContact O-CE1 3.38Å; P228-M236 HydrophobicContact CB-SD 3.99Å; P228-M236 HydrophobicContact CG-CE 4.32Å; P228-M236 HydrophobicContact CG-SD 3.97Å
229P93.3Very high92.9Very high37 Ų3768.8 Ų68.824%0.2438%0.375CS..PPolyproline II helixtrans-77.9159.6176.136.2-38.8000110.5K37 E231 V232 Y233K37-P229 WeakPolarHBondContact O-CD 3.45Å; K37-P229 WeakPolarHBondContact O-CG 3.49Å; P229-E231 WeakPolarHBondContact CB-OE2 3Å; P229-E231 PolarHBondContact O-N 3.47Å; P229-E231 VanDerWaalsContact O-N 3.08Å; P229-V232 HydrophobicContact CG-CG2 3.79Å; P229-V232 PolarHBondContact O-N 3.02Å; P229-Y233 WeakPolarHBondContact O-CD1 3.25Å
230P89.3Confident93.1Very high98 Ų9867.1 Ų67.164%0.63637%0.367SS*.THydrogen-bonded Turntrans-54.9-30.9-174.3-27.435.9000114.6V232 Y233 P234P230-V232 PolarHBondContact O-N 2.86Å; P230-Y233 WeakPolarHBondContact O-CB 3.31Å; P230-Y233 PolarHBondContact O-N 3.01Å; P230-P234 WeakPolarHBondContact O-CD 3.22Å
231E86.9Confident93.2Very high127 Ų12769 Ų6959%0.59338%0.383SS*.THydrogen-bonded Turntrans-64.6-23180-59.177.4-169.700112.7P229P229-E231 WeakPolarHBondContact CB-OE2 3Å; P229-E231 PolarHBondContact O-N 3.47Å; P229-E231 VanDerWaalsContact O-N 3.08Å
232V90.9Very high93.4Very high4 Ų473.5 Ų73.52%0.02438%0.382CS..THydrogen-bonded Turntrans-87.6-26.8-180-176.80000111.6R41 P228 P229 P230 T235 M236R41-V232 HydrophobicContact CG-CG2 4.13Å; P228-V232 HydrophobicContact CB-CB 4.41Å; P229-V232 HydrophobicContact CG-CG2 3.79Å; P229-V232 PolarHBondContact O-N 3.02Å; P230-V232 PolarHBondContact O-N 2.86Å; V232-T235 PolarHBondContact O-N 3.29Å; V232-T235 PolarHBondContact O-OG1 3.36Å; V232-M236 HydrophobicContact CG1-CG 3.8Å; V232-M236 HydrophobicContact CG1-SD 3.76Å; V232-M236 PolarHBondContact O-N 2.89Å
233Y91.6Very high93.4Very high82 Ų8267.2 Ų67.232%0.32235%0.354SS..Hα-helixtrans-54.7-48.4-174.4-81.339.1000112.7I123 P228 P229 P230 T235 M236 L237I123-Y233 HydrophobicContact CB-CE2 4.4Å; I123-Y233 HydrophobicContact CG2-CD1 4.14Å; I123-Y233 HydrophobicContact CG2-CE1 3.81Å; I123-Y233 HydrophobicContact CG2-CE2 4.3Å; P228-Y233 HydrophobicContact CB-CD1 4.26Å; P228-Y233 HydrophobicContact CB-CE1 3.87Å; P228-Y233 HydrophobicContact CG-CE1 4.48Å; P228-Y233 WeakPolarHBondContact O-CE1 3.38Å; P229-Y233 WeakPolarHBondContact O-CD1 3.25Å; P230-Y233 WeakPolarHBondContact O-CB 3.31Å; P230-Y233 PolarHBondContact O-N 3.01Å; Y233-T235 PolarHBondContact O-N 2.72Å; Y233-T235 VanDerWaalsContact O-N 3.14Å; Y233-M236 PolarHBondContact O-N 3.47Å; Y233-L237 WeakPolarHBondContact O-CB 3.3Å; Y233-L237 VanDerWaalsContact O-CG 3.29Å; Y233-L237 WeakPolarHBondContact O-CG 3.07Å; Y233-L237 PolarHBondContact O-N 3.36Å
234P92.9Very high93.4Very high81 Ų8163.1 Ų63.153%0.52635%0.347SS..Hα-helixtrans-55.9-35.6178.2-26.835000112.9P230 L238P230-P234 WeakPolarHBondContact O-CD 3.22Å; P234-L238 WeakPolarHBondContact O-CB 3.38Å; P234-L238 PolarHBondContact O-N 2.91Å
235T92Very high93.4Very high38 Ų3861.9 Ų61.923%0.23334%0.338CS..Hα-helixtrans-78.9-35.7-176.569.80000111.8R41 V232 Y233 R239R41-T235 VanDerWaalsContact NH2-CG2 3.27Å; V232-T235 PolarHBondContact O-N 3.29Å; V232-T235 PolarHBondContact O-OG1 3.36Å; Y233-T235 PolarHBondContact O-N 2.72Å; Y233-T235 VanDerWaalsContact O-N 3.14Å; T235-R239 WeakPolarHBondContact O-CB 3.49Å; T235-R239 PolarHBondContact O-N 2.96Å
236M95.4Very high93.4Very high8 Ų864.3 Ų64.34%0.03935%0.351CS..Hα-helixtrans-64.8-48.1170.8-68.8179.274.900110.9W115 L119 I123 P228 V232 Y233 L238 R239 I240W115-M236 HydrophobicContact CH2-CB 4.23Å; W115-M236 HydrophobicContact CH2-CG 3.92Å; W115-M236 HydrophobicContact CZ3-CB 3.77Å; W115-M236 HydrophobicContact CZ3-CE 4.04Å; W115-M236 HydrophobicContact CZ3-CG 3.81Å; L119-M236 HydrophobicContact CB-CE 4.03Å; L119-M236 WeakPolarHBondContact O-CE 3.47Å; I123-M236 HydrophobicContact CD1-CB 3.72Å; I123-M236 HydrophobicContact CD1-CE 4.21Å; I123-M236 HydrophobicContact CD1-SD 4.49Å; I123-M236 HydrophobicContact CG1-CE 4.21Å; I123-M236 HydrophobicContact CG2-CE 3.68Å; I123-M236 HydrophobicContact CG2-SD 3.78Å; P228-M236 HydrophobicContact CB-SD 3.99Å; P228-M236 HydrophobicContact CG-CE 4.32Å; P228-M236 HydrophobicContact CG-SD 3.97Å; V232-M236 HydrophobicContact CG1-CG 3.8Å; V232-M236 HydrophobicContact CG1-SD 3.76Å; V232-M236 PolarHBondContact O-N 2.89Å; Y233-M236 PolarHBondContact O-N 3.47Å; M236-L238 PolarHBondContact O-N 3.41Å; M236-R239 PolarHBondContact O-N 3.41Å; M236-R239 VanDerWaalsContact O-N 3.16Å; M236-I240 WeakPolarHBondContact O-CG1 3.35Å; M236-I240 PolarHBondContact O-N 3.45Å
237L95.6Very high93.4Very high82 Ų8265.8 Ų65.843%0.42936%0.357SS..Hα-helixtrans-58.8-46.4175.7-71.2172.4000111.5I123 V125 Y233 R239 I240 A241I123-L237 HydrophobicContact CD1-CD2 4.11Å; I123-L237 HydrophobicContact CD1-CG 4.3Å; V125-L237 HydrophobicContact CG2-CD2 3.73Å; Y233-L237 WeakPolarHBondContact O-CB 3.3Å; Y233-L237 VanDerWaalsContact O-CG 3.29Å; Y233-L237 WeakPolarHBondContact O-CG 3.07Å; Y233-L237 PolarHBondContact O-N 3.36Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 PolarHBondContact O-N 3Å; L237-I240 PolarHBondContact O-N 3.27Å; L237-A241 VanDerWaalsContact O-CB 3.26Å; L237-A241 WeakPolarHBondContact O-CB 3.4Å; L237-A241 PolarHBondContact O-N 3.24Å
238L95.6Very high93.6Very high88 Ų8863.3 Ų63.346%0.46134%0.339SS..Hα-helixtrans-61.2-39.5176.4-178.462.6000111.7P234 M236 A241 R242P234-L238 WeakPolarHBondContact O-CB 3.38Å; P234-L238 PolarHBondContact O-N 2.91Å; M236-L238 PolarHBondContact O-N 3.41Å; L238-A241 PolarHBondContact O-N 3.09Å; L238-R242 VanDerWaalsContact O-CG 3.27Å; L238-R242 WeakPolarHBondContact O-CG 3.24Å; L238-R242 PolarHBondContact O-N 3.31Å; L238-R242 VanDerWaalsContact O-N 3.15Å
239R96.6Very high93.6Very high57 Ų5767.1 Ų67.122%0.21536%0.359CS..Hα-helixtrans-66.5-42.2177.817755.9-171.5101.1-5112.2G108 W115 T235 M236 L237 R242G108-R239 PolarHBondContact O-NH2 3.05Å; W115-R239 HydrophobicContact CD2-CG 3.92Å; W115-R239 VanDerWaalsContact CE2-CG 3.44Å; W115-R239 HydrophobicContact CE3-CG 4.34Å; W115-R239 HydrophobicContact CH2-CB 4.03Å; W115-R239 HydrophobicContact CH2-CG 3.94Å; W115-R239 HydrophobicContact CZ2-CB 4.07Å; W115-R239 HydrophobicContact CZ2-CG 3.48Å; W115-R239 VanDerWaalsContact CZ2-CG 3.48Å; W115-R239 HydrophobicContact CZ3-CB 4.34Å; W115-R239 HydrophobicContact CZ3-CG 4.34Å; T235-R239 WeakPolarHBondContact O-CB 3.49Å; T235-R239 PolarHBondContact O-N 2.96Å; M236-R239 PolarHBondContact O-N 3.41Å; M236-R239 VanDerWaalsContact O-N 3.16Å; L237-R239 VanDerWaalsContact C-N 3.3Å; L237-R239 PolarHBondContact O-N 3Å; R239-R242 PolarHBondContact O-N 2.9Å
240I96.5Very high93.6Very high15 Ų1569.1 Ų69.18%0.07737%0.367CS..Hα-helixtrans-65.9-43.8176.1-67.6166.5000110.3W115 I123 V125 V127 M236 L237 R242 I243W115-I240 HydrophobicContact CE3-CD1 4.11Å; W115-I240 HydrophobicContact CE3-CG1 3.74Å; W115-I240 HydrophobicContact CZ3-CG1 4.35Å; I123-I240 HydrophobicContact CD1-CD1 4.18Å; V125-I240 HydrophobicContact CB-CD1 4.13Å; V125-I240 HydrophobicContact CG1-CD1 3.95Å; V125-I240 HydrophobicContact CG1-CG2 4Å; V127-I240 HydrophobicContact CG2-CG2 4.19Å; M236-I240 WeakPolarHBondContact O-CG1 3.35Å; M236-I240 PolarHBondContact O-N 3.45Å; L237-I240 PolarHBondContact O-N 3.27Å; I240-R242 PolarHBondContact O-N 3.35Å; I240-I243 WeakPolarHBondContact O-CB 3.37Å; I240-I243 WeakPolarHBondContact O-CG1 3.36Å; I240-I243 PolarHBondContact O-N 2.91Å
241A96Very high93.9Very high71 Ų7167 Ų6759%0.58735%0.348SS*.Hα-helixtrans-61.3-29.7179.100000113.1L237 L238 I243L237-A241 VanDerWaalsContact O-CB 3.26Å; L237-A241 WeakPolarHBondContact O-CB 3.4Å; L237-A241 PolarHBondContact O-N 3.24Å; L238-A241 PolarHBondContact O-N 3.09Å; A241-I243 VanDerWaalsContact C-N 3.35Å
242R95.9Very high94.4Very high179 Ų17962.4 Ų62.468%0.67533%0.329SS*.THydrogen-bonded Turntrans-82-4.6176.3-71.6175.4-176.7-164.50.6114.6L238 R239 I240 P244L238-R242 VanDerWaalsContact O-CG 3.27Å; L238-R242 WeakPolarHBondContact O-CG 3.24Å; L238-R242 PolarHBondContact O-N 3.31Å; L238-R242 VanDerWaalsContact O-N 3.15Å; R239-R242 PolarHBondContact O-N 2.9Å; I240-R242 PolarHBondContact O-N 3.35Å; R242-P244 WeakPolarHBondContact O-CD 3.37Å
243I96.9Very high94.7Very high1 Ų167.3 Ų67.31%0.00535%0.354CS..  trans-66.1122.9169.1-58.7170.2000106.2V112 W115 V127 K131 I240 A241V112-I243 HydrophobicContact CG1-CD1 4.12Å; V112-I243 HydrophobicContact CG1-CG2 4.11Å; V112-I243 HydrophobicContact CG2-CG1 4.27Å; V112-I243 HydrophobicContact CG2-CG2 4.44Å; W115-I243 HydrophobicContact CB-CD1 4.33Å; V127-I243 HydrophobicContact CG1-CD1 4.17Å; V127-I243 HydrophobicContact CG2-CD1 3.94Å; K131-I243 HydrophobicContact CB-CG2 4Å; K131-I243 HydrophobicContact CD-CB 4.35Å; K131-I243 HydrophobicContact CD-CG2 4.2Å; K131-I243 WeakPolarHBondContact CD-O 3.38Å; K131-I243 WeakPolarHBondContact CE-O 3.43Å; K131-I243 PolarHBondContact NZ-O 2.88Å; I240-I243 WeakPolarHBondContact O-CB 3.37Å; I240-I243 WeakPolarHBondContact O-CG1 3.36Å; I240-I243 PolarHBondContact O-N 2.91Å; A241-I243 VanDerWaalsContact C-N 3.35Å
244P91.8Very high95Very high105 Ų10565.9 Ų65.968%0.68236%0.357SS*.  trans-64.60-176.126.4-33.7000111.5K131 R134 R242K131-P244 WeakPolarHBondContact CE-OXT 3.46Å; K131-P244 WeakPolarHBondContact CG-O 3.33Å; R134-P244 PolarHBondContact NH1-O 3.39Å; R134-P244 PolarHBondContact NH1-OXT 2.6Å; R242-P244 WeakPolarHBondContact O-CD 3.37Å

Retrieved 244 of 244 residues in 348.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).