A0A096N7Q5_PAPAN Loading...

Aquaporin-5

Aquaporins form homotetrameric transmembrane channels, with each monomer independently mediating water transport across the plasma membrane along its osmotic gradient. Plays an important role in fluid secretion in salivary glands. Required for TRPV4 activation by hypotonicity. Together with TRPV4, controls regulatory volume decrease in salivary epithelial cells. Seems to play a redundant role in water transport in the eye, lung and in sweat glands.

AlphaFold DB , UniProt , Accession A0A096N7Q5, Species PAPAN (Papio anubis, Olive baboon), Gene AQP5, Length 265 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62Low87.7Confident103 Ų10390.1 Ų90.151%0.50749%0.488SS..  0-82.80-62.9-171.486.600114.2K3 E4 V5 L85 K240 G241 T242M1-K3 PolarHBondContact O-N 3.15Å; M1-E4 PolarHBondContact O-N 3.33Å; M1-V5 PolarHBondContact O-N 3.21Å; M1-L85 HydrophobicContact CB-CD1 4.32Å; M1-L85 HydrophobicContact CE-CD1 3.66Å; M1-L85 HydrophobicContact CE-CG 4.13Å; M1-L85 HydrophobicContact CG-CD1 4.34Å; M1-K240 WeakPolarHBondContact CA-O 3.45Å; M1-K240 HydrophobicContact CG-CB 4.23Å; M1-K240 WeakPolarHBondContact CG-O 3.28Å; M1-K240 PolarHBondContact N-O 3.22Å; M1-G241 PolarHBondContact N-O 2.97Å; M1-G241 VanDerWaalsContact N-O 3.15Å; M1-T242 VanDerWaalsContact N-CG2 3.29Å
2K68.9Low88.6Confident185 Ų18593.3 Ų93.380%0.80449%0.494SS*.Hα-helixtrans-59.1-40.7-175.2-87.2-171.4178.3-178.10113.9C6K2-C6 VanDerWaalsContact O-CB 3.28Å; K2-C6 WeakPolarHBondContact O-CB 2.92Å; K2-C6 PolarHBondContact O-N 3.33Å; K2-C6 PolarHBondContact O-SG 3.4Å; K2-C6 VanDerWaalsContact O-SG 3.33Å
3K82.4Confident89.3Confident184 Ų18486.2 Ų86.280%0.846%0.457SS*.Hα-helixtrans-63.4-41-179.7-72.3-173176.9-178.70113.2M1 S7M1-K3 PolarHBondContact O-N 3.15Å; K3-S7 PolarHBondContact O-N 3.48Å
4E88Confident90Very high32 Ų3282 Ų8215%0.1544%0.436CS..Hα-helixtrans-64.5-58.8179.8-175-171-162.800111M1 C6 S7 F10 S83 R86 G241M1-E4 PolarHBondContact O-N 3.33Å; E4-C6 VanDerWaalsContact C-N 3.34Å; E4-C6 PolarHBondContact O-N 3.42Å; E4-S7 VanDerWaalsContact O-CB 3.31Å; E4-S7 WeakPolarHBondContact O-CB 3.37Å; E4-S7 PolarHBondContact O-N 2.85Å; E4-S7 VanDerWaalsContact O-N 3.1Å; E4-S7 PolarHBondContact O-OG 2.9Å; E4-F10 HydrophobicContact CG-CD2 3.85Å; E4-F10 HydrophobicContact CG-CE2 4.29Å; E4-F10 WeakPolarHBondContact O-CB 3.13Å; E4-S83 VanDerWaalsContact CD-OG 3.3Å; E4-S83 PolarHBondContact OE1-OG 2.86Å; E4-S83 VanDerWaalsContact OE2-CB 3.29Å; E4-S83 WeakPolarHBondContact OE2-CB 3.17Å; E4-S83 PolarHBondContact OE2-OG 2.79Å; E4-R86 IonicContact OE1-CZ 3.41Å; E4-R86 IonicContact OE1-NE 2.68Å; E4-R86 PolarHBondContact OE1-NE 3.34Å; E4-R86 VanDerWaalsContact OE1-NE 3.09Å; E4-R86 IonicContact OE1-NH2 2.87Å; E4-R86 PolarHBondContact OE1-NH2 3.41Å; E4-G241 WeakPolarHBondContact OE2-CA 3.31Å
5V90.1Very high90.6Very high40 Ų4084.5 Ų84.524%0.24244%0.442CS..Hα-helixtrans-69.2-31.1-170.1178.50000112.9M1 S7 F10 L85 F89M1-V5 PolarHBondContact O-N 3.21Å; V5-S7 VanDerWaalsContact C-N 3.26Å; V5-S7 PolarHBondContact O-N 3.45Å; V5-F10 HydrophobicContact CB-CD1 4.39Å; V5-F10 HydrophobicContact CB-CE1 4.27Å; V5-F10 HydrophobicContact CG1-CD1 4.19Å; V5-F10 HydrophobicContact CG1-CE1 3.87Å; V5-F10 HydrophobicContact CG1-CZ 4.49Å; V5-F10 HydrophobicContact CG2-CE1 4.2Å; V5-F10 HydrophobicContact CG2-CE2 4.33Å; V5-F10 HydrophobicContact CG2-CZ 4.04Å; V5-L85 HydrophobicContact CG2-CB 3.79Å; V5-L85 HydrophobicContact CG2-CD1 3.61Å; V5-L85 HydrophobicContact CG2-CG 4.31Å; V5-F89 HydrophobicContact CG1-CD2 4.48Å; V5-F89 HydrophobicContact CG1-CE2 3.83Å; V5-F89 HydrophobicContact CG1-CZ 4.26Å
6C91.9Very high91.1Very high109 Ų10979.4 Ų79.474%0.73642%0.416SS*.THydrogen-bonded Turntrans-82.5-0.7176.9-61.40000113.3K2 E4K2-C6 VanDerWaalsContact O-CB 3.28Å; K2-C6 WeakPolarHBondContact O-CB 2.92Å; K2-C6 PolarHBondContact O-N 3.33Å; K2-C6 PolarHBondContact O-SG 3.4Å; K2-C6 VanDerWaalsContact O-SG 3.33Å; E4-C6 VanDerWaalsContact C-N 3.34Å; E4-C6 PolarHBondContact O-N 3.42Å
7S94.9Very high91.5Very high41 Ų4174.8 Ų74.829%0.28739%0.392SS..SBendtrans-75.8147.3179.474.10000112.2K3 E4 V5 A9 F10 L11K3-S7 PolarHBondContact O-N 3.48Å; E4-S7 VanDerWaalsContact O-CB 3.31Å; E4-S7 WeakPolarHBondContact O-CB 3.37Å; E4-S7 PolarHBondContact O-N 2.85Å; E4-S7 VanDerWaalsContact O-N 3.1Å; E4-S7 PolarHBondContact O-OG 2.9Å; V5-S7 VanDerWaalsContact C-N 3.26Å; V5-S7 PolarHBondContact O-N 3.45Å; S7-A9 PolarHBondContact O-N 3.1Å; S7-F10 PolarHBondContact O-N 3.48Å; S7-F10 VanDerWaalsContact OG-CB 3.22Å; S7-F10 WeakPolarHBondContact OG-CB 3.36Å; S7-F10 PolarHBondContact OG-N 2.71Å; S7-F10 VanDerWaalsContact OG-N 3.09Å; S7-L11 PolarHBondContact O-N 3.37Å; S7-L11 VanDerWaalsContact O-N 3.14Å
8V96.1Very high92Very high100 Ų10073.6 Ų73.661%0.60638%0.383SS*.Hα-helixtrans-62.2-35.5174.71760000111.3L11 K12V8-L11 PolarHBondContact O-N 3.4Å; V8-K12 HydrophobicContact CG1-CD 4.26Å; V8-K12 WeakPolarHBondContact O-CG 3.37Å; V8-K12 PolarHBondContact O-N 3.02Å
9A95.6Very high92.3Very high69 Ų6972.5 Ų72.557%0.5738%0.377SS*.Hα-helixtrans-62.8-42.7176.500000111.5S7 K12 A13S7-A9 PolarHBondContact O-N 3.1Å; A9-K12 PolarHBondContact O-N 3.4Å; A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.23Å
10F96.6Very high92.7Very high6 Ų668.9 Ų68.93%0.02636%0.359CS..Hα-helixtrans-62.9-45.1175.9-172.4-89.4000112E4 V5 S7 K12 A13 V14 R86 F89E4-F10 HydrophobicContact CG-CD2 3.85Å; E4-F10 HydrophobicContact CG-CE2 4.29Å; E4-F10 WeakPolarHBondContact O-CB 3.13Å; V5-F10 HydrophobicContact CB-CD1 4.39Å; V5-F10 HydrophobicContact CB-CE1 4.27Å; V5-F10 HydrophobicContact CG1-CD1 4.19Å; V5-F10 HydrophobicContact CG1-CE1 3.87Å; V5-F10 HydrophobicContact CG1-CZ 4.49Å; V5-F10 HydrophobicContact CG2-CE1 4.2Å; V5-F10 HydrophobicContact CG2-CE2 4.33Å; V5-F10 HydrophobicContact CG2-CZ 4.04Å; S7-F10 PolarHBondContact O-N 3.48Å; S7-F10 VanDerWaalsContact OG-CB 3.22Å; S7-F10 WeakPolarHBondContact OG-CB 3.36Å; S7-F10 PolarHBondContact OG-N 2.71Å; S7-F10 VanDerWaalsContact OG-N 3.09Å; F10-K12 VanDerWaalsContact C-N 3.33Å; F10-K12 PolarHBondContact O-N 3.39Å; F10-A13 WeakPolarHBondContact O-CB 3.38Å; F10-A13 PolarHBondContact O-N 3.14Å; F10-A13 VanDerWaalsContact O-N 3.14Å; F10-V14 HydrophobicContact CD1-CG2 3.86Å; F10-V14 HydrophobicContact CE1-CG2 3.5Å; F10-V14 HydrophobicContact CZ-CG2 3.96Å; F10-V14 WeakPolarHBondContact O-CG2 3.29Å; F10-V14 PolarHBondContact O-N 3.22Å; F10-R86 HydrophobicContact CE2-CB 3.89Å; F10-R86 HydrophobicContact CE2-CG 4.19Å; F10-F89 HydrophobicContact CE1-CB 4.14Å; F10-F89 AromaticContact CE1-CD2 3.8Å; F10-F89 HydrophobicContact CE1-CD2 3.8Å; F10-F89 HydrophobicContact CE1-CE2 4.42Å; F10-F89 AromaticContact CE1-CG 3.99Å; F10-F89 HydrophobicContact CE1-CG 3.99Å; F10-F89 HydrophobicContact CZ-CB 3.96Å; F10-F89 AromaticContact CZ-CD2 3.7Å; F10-F89 HydrophobicContact CZ-CD2 3.7Å; F10-F89 HydrophobicContact CZ-CG 4.07Å
11L98.1Very high93Very high122 Ų12265.6 Ų65.664%0.63934%0.341SS*.Hα-helixtrans-56.7-47.1175.5177.362.8000111.9S7 V8 A13 V14 F15S7-L11 PolarHBondContact O-N 3.37Å; S7-L11 VanDerWaalsContact O-N 3.14Å; V8-L11 PolarHBondContact O-N 3.4Å; L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.15Å; L11-V14 PolarHBondContact O-N 3.37Å; L11-F15 PolarHBondContact O-N 3.09Å
12K98.1Very high94.7Very high129 Ų12962 Ų6256%0.56132%0.324SS*.Hα-helixtrans-61-40.6176.6-72.9175.6177.2-179.20111.9V8 A9 F10 F15 A16 V63V8-K12 HydrophobicContact CG1-CD 4.26Å; V8-K12 WeakPolarHBondContact O-CG 3.37Å; V8-K12 PolarHBondContact O-N 3.02Å; A9-K12 PolarHBondContact O-N 3.4Å; F10-K12 VanDerWaalsContact C-N 3.33Å; F10-K12 PolarHBondContact O-N 3.39Å; K12-F15 PolarHBondContact O-N 3.11Å; K12-A16 WeakPolarHBondContact O-CB 3.38Å; K12-A16 PolarHBondContact O-N 3.17Å; K12-V63 HydrophobicContact CB-CG1 4.18Å
13A98.4Very high96.1Very high1 Ų155.7 Ų55.71%0.00830%0.298CS..Hα-helixtrans-66.3-44.118000000112.4A9 F10 L11 F15 A16 E17 V63 Y90A9-A13 WeakPolarHBondContact O-CB 3.47Å; A9-A13 PolarHBondContact O-N 3.23Å; F10-A13 WeakPolarHBondContact O-CB 3.38Å; F10-A13 PolarHBondContact O-N 3.14Å; F10-A13 VanDerWaalsContact O-N 3.14Å; L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 3.15Å; A13-F15 VanDerWaalsContact C-N 3.35Å; A13-F15 PolarHBondContact O-N 3.48Å; A13-A16 PolarHBondContact O-N 3.23Å; A13-E17 PolarHBondContact O-N 3.09Å; A13-V63 WeakPolarHBondContact CB-O 3.25Å; A13-Y90 HydrophobicContact CB-CE1 4.19Å; A13-Y90 WeakPolarHBondContact CB-OH 3.31Å
14V98.8Very high96.9Very high27 Ų2747.2 Ų47.216%0.16426%0.262CS..Hα-helixtrans-62.9-42175.1176.40000111.1F10 L11 E17 F18 F89 Y90 A93F10-V14 HydrophobicContact CD1-CG2 3.86Å; F10-V14 HydrophobicContact CE1-CG2 3.5Å; F10-V14 HydrophobicContact CZ-CG2 3.96Å; F10-V14 WeakPolarHBondContact O-CG2 3.29Å; F10-V14 PolarHBondContact O-N 3.22Å; L11-V14 PolarHBondContact O-N 3.37Å; V14-E17 PolarHBondContact O-N 3Å; V14-F18 PolarHBondContact O-N 3.18Å; V14-F18 VanDerWaalsContact O-N 3.11Å; V14-F89 HydrophobicContact CG1-CB 4.33Å; V14-F89 HydrophobicContact CG2-CB 3.78Å; V14-Y90 HydrophobicContact CG2-CD1 4.2Å; V14-Y90 HydrophobicContact CG2-CE1 4.21Å; V14-A93 HydrophobicContact CG1-CB 3.88Å; V14-A93 WeakPolarHBondContact O-CB 3.42Å
15F98.8Very high97.4Very high119 Ų11945.7 Ų45.752%0.52225%0.254SS..Hα-helixtrans-64.6-39.6175176.6-102.7000112.4L11 K12 A13 E17 F18 L19L11-F15 PolarHBondContact O-N 3.09Å; K12-F15 PolarHBondContact O-N 3.11Å; A13-F15 VanDerWaalsContact C-N 3.35Å; A13-F15 PolarHBondContact O-N 3.48Å; F15-E17 VanDerWaalsContact C-N 3.34Å; F15-E17 PolarHBondContact O-N 3.41Å; F15-F18 HydrophobicContact CD2-CD1 4.14Å; F15-F18 HydrophobicContact CE2-CD1 4.08Å; F15-F18 HydrophobicContact CE2-CE1 4.36Å; F15-F18 WeakPolarHBondContact O-CB 3.2Å; F15-F18 PolarHBondContact O-N 2.98Å; F15-L19 HydrophobicContact CE1-CB 4.43Å; F15-L19 HydrophobicContact CE1-CD2 4.01Å; F15-L19 HydrophobicContact CZ-CB 4.48Å; F15-L19 HydrophobicContact CZ-CD2 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.26Å; F15-L19 PolarHBondContact O-N 2.64Å
16A98.8Very high97.9Very high4 Ų446.5 Ų46.53%0.03326%0.255CS..Hα-helixtrans-62.5-40177.300000111.8K12 A13 L19 A20 L60 V63K12-A16 WeakPolarHBondContact O-CB 3.38Å; K12-A16 PolarHBondContact O-N 3.17Å; A13-A16 PolarHBondContact O-N 3.23Å; A16-L19 PolarHBondContact O-N 3.33Å; A16-A20 WeakPolarHBondContact O-CB 3.25Å; A16-A20 PolarHBondContact O-N 3.26Å; A16-L60 HydrophobicContact CB-CD2 4.5Å; A16-V63 HydrophobicContact CB-CB 4.1Å; A16-V63 HydrophobicContact CB-CG1 3.81Å
17E98.9Very high98.2Very high0 Ų047.1 Ų47.10%025%0.245CC..Hα-helixtrans-64.2-44.1173.6-75.3-67136.600112.5A13 V14 F15 L19 A20 T21 S64 G66 H67 I68 Y90 A93 Q94A13-E17 PolarHBondContact O-N 3.09Å; V14-E17 PolarHBondContact O-N 3Å; F15-E17 VanDerWaalsContact C-N 3.34Å; F15-E17 PolarHBondContact O-N 3.41Å; E17-L19 PolarHBondContact O-N 2.99Å; E17-A20 PolarHBondContact O-N 3.45Å; E17-T21 PolarHBondContact O-N 2.92Å; E17-T21 PolarHBondContact O-OG1 3.09Å; E17-T21 VanDerWaalsContact O-OG1 3.07Å; E17-S64 PolarHBondContact OE1-OG 3.49Å; E17-G66 WeakPolarHBondContact OE1-CA 3.43Å; E17-G66 PolarHBondContact OE1-N 3.37Å; E17-H67 PolarHBondContact OE1-N 2.94Å; E17-I68 WeakPolarHBondContact OE2-CA 3.49Å; E17-I68 PolarHBondContact OE2-N 2.92Å; E17-Y90 HydrophobicContact CG-CD1 4.06Å; E17-Y90 HydrophobicContact CG-CD2 3.57Å; E17-Y90 HydrophobicContact CG-CE1 4.14Å; E17-Y90 HydrophobicContact CG-CE2 3.66Å; E17-Y90 HydrophobicContact CG-CG 3.78Å; E17-A93 HydrophobicContact CB-CB 4.37Å; E17-Q94 HydrophobicContact CB-CG 4.43Å; E17-Q94 PolarHBondContact OE2-NE2 3.41Å
18F98.9Very high98.4Very high54 Ų5445.2 Ų45.224%0.23723%0.232CC..Hα-helixtrans-56.3-51.8173162.5-97.4000111.6V14 F15 T21 L22 A93 V96 G97 A100V14-F18 PolarHBondContact O-N 3.18Å; V14-F18 VanDerWaalsContact O-N 3.11Å; F15-F18 HydrophobicContact CD2-CD1 4.14Å; F15-F18 HydrophobicContact CE2-CD1 4.08Å; F15-F18 HydrophobicContact CE2-CE1 4.36Å; F15-F18 WeakPolarHBondContact O-CB 3.2Å; F15-F18 PolarHBondContact O-N 2.98Å; F18-T21 PolarHBondContact O-N 3.16Å; F18-L22 HydrophobicContact CE1-CD1 4.12Å; F18-L22 HydrophobicContact CZ-CD1 3.81Å; F18-L22 WeakPolarHBondContact O-CB 3.38Å; F18-L22 PolarHBondContact O-N 3.26Å; F18-A93 HydrophobicContact CB-CB 4.01Å; F18-V96 HydrophobicContact CD2-CB 4.49Å; F18-V96 HydrophobicContact CD2-CG1 4.23Å; F18-V96 HydrophobicContact CE2-CG1 4.02Å; F18-G97 VanDerWaalsContact CD2-CA 3.44Å; F18-A100 HydrophobicContact CE2-CB 4.16Å; F18-A100 HydrophobicContact CZ-CB 4.32Å
19L98.9Very high98.5Very high53 Ų5340.4 Ų40.428%0.27720%0.203SC..Hα-helixtrans-65.5-42.2-176.6-178.862000111.3F15 A16 E17 L22 I23 L60F15-L19 HydrophobicContact CE1-CB 4.43Å; F15-L19 HydrophobicContact CE1-CD2 4.01Å; F15-L19 HydrophobicContact CZ-CB 4.48Å; F15-L19 HydrophobicContact CZ-CD2 4.32Å; F15-L19 WeakPolarHBondContact O-CB 3.26Å; F15-L19 PolarHBondContact O-N 2.64Å; A16-L19 PolarHBondContact O-N 3.33Å; E17-L19 PolarHBondContact O-N 2.99Å; L19-L22 PolarHBondContact O-N 2.96Å; L19-I23 HydrophobicContact CD1-CD1 3.9Å; L19-I23 HydrophobicContact CD1-CG1 4.29Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-I23 PolarHBondContact O-N 3.26Å; L19-L60 HydrophobicContact CD2-CD1 4.49Å
20A98.9Very high98.7Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-62.6-48.317800000111.1A16 E17 L22 I23 F24 L56 L60 I68A16-A20 WeakPolarHBondContact O-CB 3.25Å; A16-A20 PolarHBondContact O-N 3.26Å; E17-A20 PolarHBondContact O-N 3.45Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 2.88Å; A20-I23 PolarHBondContact O-N 3.34Å; A20-F24 WeakPolarHBondContact O-CB 3.22Å; A20-F24 PolarHBondContact O-N 3.03Å; A20-L56 HydrophobicContact CB-CD2 4.39Å; A20-L56 VanDerWaalsContact O-CD1 3.29Å; A20-L56 WeakPolarHBondContact O-CD1 3.2Å; A20-L60 HydrophobicContact CB-CD1 3.76Å; A20-I68 HydrophobicContact CB-CD1 3.92Å; A20-I68 HydrophobicContact CB-CG1 3.71Å; A20-I68 HydrophobicContact CB-CG2 4.27Å
21T98.9Very high98.8Very high0 Ų038.5 Ų38.50%019%0.188CC..Hα-helixtrans-67.5-34.4179.8-51.20000112.1E17 F18 V25 Q94 A98 A187E17-T21 PolarHBondContact O-N 2.92Å; E17-T21 PolarHBondContact O-OG1 3.09Å; E17-T21 VanDerWaalsContact O-OG1 3.07Å; F18-T21 PolarHBondContact O-N 3.16Å; T21-V25 HydrophobicContact CG2-CG2 4.13Å; T21-V25 WeakPolarHBondContact O-CB 3.36Å; T21-V25 VanDerWaalsContact O-CG2 3.28Å; T21-V25 WeakPolarHBondContact O-CG2 3.34Å; T21-V25 PolarHBondContact O-N 3.33Å; T21-Q94 HydrophobicContact CG2-CB 4.36Å; T21-Q94 WeakPolarHBondContact CG2-O 3.38Å; T21-Q94 WeakPolarHBondContact OG1-CG 3.26Å; T21-A98 HydrophobicContact CG2-CB 3.88Å; T21-A187 HydrophobicContact CG2-CB 4.12Å
22L98.9Very high98.8Very high27 Ų2733.8 Ų33.814%0.14117%0.166CC..Hα-helixtrans-57.5-54.7171.3-178.8165.8000111.5F18 L19 A20 V25 F26 G97 A100 G101 I104F18-L22 HydrophobicContact CE1-CD1 4.12Å; F18-L22 HydrophobicContact CZ-CD1 3.81Å; F18-L22 WeakPolarHBondContact O-CB 3.38Å; F18-L22 PolarHBondContact O-N 3.26Å; L19-L22 PolarHBondContact O-N 2.96Å; A20-L22 VanDerWaalsContact C-N 3.33Å; A20-L22 PolarHBondContact O-N 2.88Å; L22-V25 PolarHBondContact O-N 3.38Å; L22-F26 WeakPolarHBondContact O-CB 3.36Å; L22-F26 PolarHBondContact O-N 3.04Å; L22-G97 WeakPolarHBondContact CA-O 3.4Å; L22-G97 WeakPolarHBondContact CB-O 3.46Å; L22-A100 HydrophobicContact CD1-CB 3.82Å; L22-A100 HydrophobicContact CG-CB 4.21Å; L22-G101 WeakPolarHBondContact O-CA 3.34Å; L22-I104 HydrophobicContact CD1-CD1 4.16Å; L22-I104 HydrophobicContact CD2-CD1 4.12Å; L22-I104 HydrophobicContact CG-CD1 4.35Å
23I98.9Very high98.8Very high52 Ų5227.8 Ų27.827%0.26714%0.14SC..Hα-helixtrans-63.8-46.2-177.9-66.2168.9000110.1L19 A20 V25 F26 F27 L56L19-I23 HydrophobicContact CD1-CD1 3.9Å; L19-I23 HydrophobicContact CD1-CG1 4.29Å; L19-I23 HydrophobicContact CG-CD1 3.89Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.5Å; L19-I23 PolarHBondContact O-N 3.26Å; A20-I23 PolarHBondContact O-N 3.34Å; I23-V25 PolarHBondContact O-N 3.11Å; I23-F26 PolarHBondContact O-N 3.33Å; I23-F27 HydrophobicContact CG2-CD2 3.68Å; I23-F27 HydrophobicContact CG2-CE2 3.86Å; I23-F27 WeakPolarHBondContact O-CD2 3.49Å; I23-F27 PolarHBondContact O-N 3.27Å; I23-L56 HydrophobicContact CB-CD1 4.4Å; I23-L56 HydrophobicContact CB-CD2 4.13Å; I23-L56 HydrophobicContact CD1-CD2 4.28Å; I23-L56 HydrophobicContact CG2-CD1 4.35Å; I23-L56 HydrophobicContact CG2-CD2 4.01Å
24F98.9Very high98.8Very high6 Ų635.7 Ų35.73%0.02617%0.174CC..Hα-helixtrans-55-50.2177.9166.3-121.4000111.9A20 G28 F49 A52 I53 L56 I68 R188A20-F24 WeakPolarHBondContact O-CB 3.22Å; A20-F24 PolarHBondContact O-N 3.03Å; F24-G28 WeakPolarHBondContact O-CA 3.48Å; F24-G28 PolarHBondContact O-N 2.95Å; F24-F49 AromaticContact CE2-CD1 3.57Å; F24-F49 HydrophobicContact CE2-CD1 3.57Å; F24-F49 HydrophobicContact CE2-CE1 4.18Å; F24-F49 HydrophobicContact CE2-CG 4.48Å; F24-F49 AromaticContact CZ-CD1 3.74Å; F24-F49 HydrophobicContact CZ-CD1 3.74Å; F24-F49 HydrophobicContact CZ-CE1 4.08Å; F24-A52 HydrophobicContact CD2-CB 4.12Å; F24-I53 HydrophobicContact CD1-CD1 4.3Å; F24-I53 HydrophobicContact CD2-CD1 3.64Å; F24-I53 HydrophobicContact CD2-CG1 3.8Å; F24-I53 HydrophobicContact CE1-CD1 4.35Å; F24-I53 HydrophobicContact CE2-CD1 3.72Å; F24-I53 HydrophobicContact CE2-CG1 3.6Å; F24-I53 HydrophobicContact CG-CD1 3.95Å; F24-I53 HydrophobicContact CZ-CD1 4.09Å; F24-I53 HydrophobicContact CZ-CG1 4.24Å; F24-L56 HydrophobicContact CB-CD1 3.59Å; F24-I68 HydrophobicContact CB-CG2 3.95Å; F24-I68 HydrophobicContact CD1-CG2 4.02Å; F24-I68 HydrophobicContact CG-CG2 4.14Å; F24-R188 HydrophobicContact CE1-CB 3.92Å; F24-R188 HydrophobicContact CE1-CG 4.13Å; F24-R188 HydrophobicContact CZ-CB 4.48Å; F24-R188 HydrophobicContact CZ-CG 4.29Å
25V98.9Very high98.8Very high0 Ų038 Ų380%018%0.18CC..Hα-helixtrans-69.4-38.1-178.4172.60000111.2T21 L22 I23 L29 A98 A102T21-V25 HydrophobicContact CG2-CG2 4.13Å; T21-V25 WeakPolarHBondContact O-CB 3.36Å; T21-V25 VanDerWaalsContact O-CG2 3.28Å; T21-V25 WeakPolarHBondContact O-CG2 3.34Å; T21-V25 PolarHBondContact O-N 3.33Å; L22-V25 PolarHBondContact O-N 3.38Å; I23-V25 PolarHBondContact O-N 3.11Å; V25-L29 HydrophobicContact CG1-CD1 3.44Å; V25-L29 VanDerWaalsContact CG1-CD1 3.44Å; V25-L29 HydrophobicContact CG1-CG 3.84Å; V25-L29 VanDerWaalsContact O-CB 3.29Å; V25-L29 WeakPolarHBondContact O-CB 3.14Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 2.87Å; V25-A98 WeakPolarHBondContact CG1-O 3.49Å; V25-A98 HydrophobicContact CG2-CB 3.82Å; V25-A102 HydrophobicContact CG1-CB 4.09Å
26F98.9Very high98.7Very high58 Ų5836.4 Ų36.425%0.25418%0.182SC..Hα-helixtrans-57.2-53.9174.6177-92.8000111.9L22 I23 G30 I104 L105 V108L22-F26 WeakPolarHBondContact O-CB 3.36Å; L22-F26 PolarHBondContact O-N 3.04Å; I23-F26 PolarHBondContact O-N 3.33Å; F26-G30 PolarHBondContact O-N 2.62Å; F26-I104 HydrophobicContact CD2-CB 4.38Å; F26-I104 HydrophobicContact CD2-CG2 3.96Å; F26-I104 HydrophobicContact CE2-CG2 3.86Å; F26-L105 HydrophobicContact CD2-CB 3.99Å; F26-L105 HydrophobicContact CE2-CB 4.31Å; F26-L105 HydrophobicContact CE2-CD1 4.27Å; F26-V108 HydrophobicContact CE2-CG2 3.86Å; F26-V108 HydrophobicContact CZ-CG2 4.3Å
27F98.9Very high98.7Very high122 Ų12241.5 Ų41.554%0.53522%0.218SC..Hα-helixtrans-69.5-44.3-179.3-83.1-81.8000112.3I23 G30 S31 A52I23-F27 HydrophobicContact CG2-CD2 3.68Å; I23-F27 HydrophobicContact CG2-CE2 3.86Å; I23-F27 WeakPolarHBondContact O-CD2 3.49Å; I23-F27 PolarHBondContact O-N 3.27Å; F27-G30 PolarHBondContact O-N 2.94Å; F27-S31 VanDerWaalsContact O-CB 3.29Å; F27-S31 WeakPolarHBondContact O-CB 3.42Å; F27-S31 PolarHBondContact O-N 3.14Å; F27-S31 PolarHBondContact O-OG 3.4Å; F27-A52 HydrophobicContact CB-CB 4.5Å
28G98.8Very high98.6Very high0 Ų044.7 Ų44.70%024%0.243CC..Hα-helixtrans-58.1-59.2-179.900000111.4F24 G30 S31 A32 F49F24-G28 WeakPolarHBondContact O-CA 3.48Å; F24-G28 PolarHBondContact O-N 2.95Å; G28-G30 PolarHBondContact O-N 3.45Å; G28-S31 PolarHBondContact O-N 2.86Å; G28-S31 PolarHBondContact O-OG 3.35Å; G28-A32 PolarHBondContact O-N 3.04Å; G28-F49 VanDerWaalsContact CA-CE2 3.47Å; G28-F49 WeakPolarHBondContact O-CE2 3.22Å; G28-F49 WeakPolarHBondContact O-CZ 3.37Å
29L98.9Very high98.6Very high0 Ų047.9 Ų47.90%026%0.263CS..Hα-helixtrans-62.1-43.1179.7-60.3-178.1000111.9V25 S31 A32 L33 A102 L105 L117 A118 P192V25-L29 HydrophobicContact CG1-CD1 3.44Å; V25-L29 VanDerWaalsContact CG1-CD1 3.44Å; V25-L29 HydrophobicContact CG1-CG 3.84Å; V25-L29 VanDerWaalsContact O-CB 3.29Å; V25-L29 WeakPolarHBondContact O-CB 3.14Å; V25-L29 WeakPolarHBondContact O-CG 3.48Å; V25-L29 PolarHBondContact O-N 2.87Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.42Å; L29-A32 PolarHBondContact O-N 3.44Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.09Å; L29-A102 HydrophobicContact CD1-CB 3.83Å; L29-L105 HydrophobicContact CB-CD2 3.36Å; L29-L105 HydrophobicContact CD1-CD2 4.43Å; L29-L117 HydrophobicContact CD1-CG 4.49Å; L29-A118 HydrophobicContact CB-CB 4.32Å; L29-A118 HydrophobicContact CD2-CB 3.86Å; L29-P192 HydrophobicContact CD1-CB 3.72Å; L29-P192 HydrophobicContact CD1-CG 3.92Å; L29-P192 HydrophobicContact CD2-CB 4.41Å; L29-P192 HydrophobicContact CD2-CG 4Å
30G98.8Very high98.6Very high11 Ų1146.5 Ų46.511%0.11326%0.257CS..Hα-helixtrans-60.1-40-178.600000112.5F26 F27 G28 A32 W35 L105F26-G30 PolarHBondContact O-N 2.62Å; F27-G30 PolarHBondContact O-N 2.94Å; G28-G30 PolarHBondContact O-N 3.45Å; G30-A32 PolarHBondContact O-N 2.93Å; G30-W35 PolarHBondContact O-NE1 3.13Å; G30-L105 VanDerWaalsContact N-CD2 3.29Å
31S98.8Very high98.6Very high23 Ų2350.6 Ų50.616%0.16128%0.282CS..Hα-helixtrans-69.6-19176.374.90000114F27 G28 L29 P40 A48F27-S31 VanDerWaalsContact O-CB 3.29Å; F27-S31 WeakPolarHBondContact O-CB 3.42Å; F27-S31 PolarHBondContact O-N 3.14Å; F27-S31 PolarHBondContact O-OG 3.4Å; G28-S31 PolarHBondContact O-N 2.86Å; G28-S31 PolarHBondContact O-OG 3.35Å; L29-S31 VanDerWaalsContact C-N 3.3Å; L29-S31 PolarHBondContact O-N 3.42Å; S31-P40 WeakPolarHBondContact O-CB 3.46Å; S31-P40 WeakPolarHBondContact O-CG 3.22Å; S31-A48 VanDerWaalsContact CB-CB 3.41Å; S31-A48 WeakPolarHBondContact OG-CB 3.5Å
32A98.8Very high98.6Very high23 Ų2352.8 Ų52.819%0.1929%0.293CS..THydrogen-bonded Turntrans-102.5-1-176.800000113.9G28 L29 G30 I45 F49 A118G28-A32 PolarHBondContact O-N 3.04Å; L29-A32 PolarHBondContact O-N 3.44Å; G30-A32 PolarHBondContact O-N 2.93Å; A32-I45 HydrophobicContact CB-CD1 4.23Å; A32-I45 HydrophobicContact CB-CG1 4.23Å; A32-I45 HydrophobicContact CB-CG2 4.03Å; A32-F49 HydrophobicContact CB-CE2 4.29Å; A32-A118 HydrophobicContact CB-CB 3.91Å
33L98.7Very high98.6Very high4 Ų456.1 Ų56.12%0.02131%0.31CS..SBendtrans-66.4151.9175.1-59.5-174.1000111.3L29 W35 P40 L105 A109 A118L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.09Å; L33-W35 VanDerWaalsContact C-N 3.27Å; L33-W35 HydrophobicContact CB-CZ2 4.42Å; L33-W35 HydrophobicContact CD1-CZ2 3.94Å; L33-W35 PolarHBondContact O-N 3.07Å; L33-P40 WeakPolarHBondContact O-CD 3.23Å; L33-P40 WeakPolarHBondContact O-CG 3.43Å; L33-L105 HydrophobicContact CD1-CD1 4.32Å; L33-L105 HydrophobicContact CD1-CD2 4.37Å; L33-L105 HydrophobicContact CD1-CG 4.49Å; L33-A109 HydrophobicContact CD1-CB 3.89Å; L33-A118 HydrophobicContact CD2-CB 4.26Å
34K98.3Very high98.6Very high166 Ų16658.3 Ų58.372%0.72232%0.32SS*.  trans-80.975.1176.8-65-170.9179-174.60110.2P36 L39K34-P36 WeakPolarHBondContact O-CD 3.41Å; K34-L39 HydrophobicContact CB-CD2 3.86Å; K34-L39 HydrophobicContact CG-CD2 4.39Å
35W98.3Very high98.6Very high76 Ų7659.1 Ų59.129%0.28832%0.324SS..  trans-65.2119.6178.3-64.199.9000110.5G30 L33 S37 A38 L39 P110 A113G30-W35 PolarHBondContact O-NE1 3.13Å; L33-W35 VanDerWaalsContact C-N 3.27Å; L33-W35 HydrophobicContact CB-CZ2 4.42Å; L33-W35 HydrophobicContact CD1-CZ2 3.94Å; L33-W35 PolarHBondContact O-N 3.07Å; W35-S37 PolarHBondContact O-N 3.07Å; W35-A38 CarbonylContact O-C 3.6Å; W35-A38 PolarHBondContact O-N 2.91Å; W35-A38 VanDerWaalsContact O-N 3.15Å; W35-L39 PolarHBondContact O-N 3.29Å; W35-P110 HydrophobicContact CZ3-CG 3.78Å; W35-A113 HydrophobicContact CD2-CB 3.96Å; W35-A113 HydrophobicContact CE3-CB 3.45Å; W35-A113 VanDerWaalsContact CE3-CB 3.45Å; W35-A113 HydrophobicContact CH2-CB 4.29Å; W35-A113 HydrophobicContact CZ3-CB 3.65Å
36P97.3Very high98.6Very high86 Ų8659.1 Ų59.156%0.55832%0.324SS*.THydrogen-bonded Turntrans-68-21.1-175.525.9-33.9000113K34K34-P36 WeakPolarHBondContact O-CD 3.41Å
37S97.5Very high98.6Very high111 Ų11159.3 Ų59.378%0.77633%0.327SS*.THydrogen-bonded Turntrans-70-35.7173.948.90000112.9W35W35-S37 PolarHBondContact O-N 3.07Å
38A98.2Very high98.6Very high66 Ų6654.9 Ų54.955%0.54531%0.313SS..SBendtrans-164.6114.5177.800000109.7W35W35-A38 CarbonylContact O-C 3.6Å; W35-A38 PolarHBondContact O-N 2.91Å; W35-A38 VanDerWaalsContact O-N 3.15Å
39L98.4Very high98.6Very high122 Ų12254.9 Ų54.964%0.63931%0.313SS*.PPolyproline II helixtrans-69.2130.8178.1-67176.6000110.5K34 W35 T41K34-L39 HydrophobicContact CB-CD2 3.86Å; K34-L39 HydrophobicContact CG-CD2 4.39Å; W35-L39 PolarHBondContact O-N 3.29Å; L39-T41 PolarHBondContact O-N 3.23Å
40P98.6Very high98.6Very high24 Ų2455 Ų5516%0.15631%0.314CS..PPolyproline II helixtrans-63.4136.7178.1-22.232.7000112.2S31 L33 I45S31-P40 WeakPolarHBondContact O-CB 3.46Å; S31-P40 WeakPolarHBondContact O-CG 3.22Å; L33-P40 WeakPolarHBondContact O-CD 3.23Å; L33-P40 WeakPolarHBondContact O-CG 3.43Å; P40-I45 HydrophobicContact CB-CD1 4.07Å; P40-I45 HydrophobicContact CB-CG1 3.78Å
41T98.7Very high98.6Very high85 Ų8558.4 Ų58.452%0.52133%0.329SS..PPolyproline II helixtrans-80.6161.8170.967.40000111.2L39 L43 Q44 I45L39-T41 PolarHBondContact O-N 3.23Å; T41-L43 VanDerWaalsContact C-N 3.31Å; T41-L43 PolarHBondContact O-N 3Å; T41-Q44 WeakPolarHBondContact O-CB 3.26Å; T41-Q44 PolarHBondContact O-N 3.22Å; T41-Q44 WeakPolarHBondContact OG1-CB 3.38Å; T41-Q44 PolarHBondContact OG1-N 3.45Å; T41-I45 WeakPolarHBondContact O-CG1 3.33Å; T41-I45 PolarHBondContact O-N 3.5Å
42I98.7Very high98.6Very high47 Ų4758 Ų5824%0.24133%0.327CS..Hα-helixtrans-57.2-44.5177.4-59.7-66.2000111.5Q44 I45 A46 I177 Y178I42-Q44 PolarHBondContact O-N 2.95Å; I42-I45 PolarHBondContact O-N 2.79Å; I42-A46 VanDerWaalsContact O-CB 3.3Å; I42-A46 WeakPolarHBondContact O-CB 3.46Å; I42-A46 PolarHBondContact O-N 3.36Å; I42-I177 HydrophobicContact CD1-CB 4.18Å; I42-I177 HydrophobicContact CD1-CD1 4.49Å; I42-I177 HydrophobicContact CD1-CG2 3.39Å; I42-I177 HydrophobicContact CG2-CD1 4.02Å; I42-Y178 HydrophobicContact CD1-CE1 4.41Å; I42-Y178 HydrophobicContact CG1-CE1 4.33Å; I42-Y178 HydrophobicContact CG2-CE2 4.32Å
43L98.8Very high98.6Very high96 Ų9657.6 Ų57.650%0.50332%0.322SS..Hα-helixtrans-64.9-39.6178.4179.561.9000111.8T41 A46 L47 L174T41-L43 VanDerWaalsContact C-N 3.31Å; T41-L43 PolarHBondContact O-N 3Å; L43-A46 PolarHBondContact O-N 3.36Å; L43-L47 HydrophobicContact CD1-CD1 3.98Å; L43-L47 HydrophobicContact CD1-CG 4.03Å; L43-L47 HydrophobicContact CG-CD1 3.96Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 2.9Å; L43-L174 HydrophobicContact CD1-CD2 4Å
44Q98.8Very high98.6Very high99 Ų9957.8 Ų57.846%0.46333%0.325SS..Hα-helixtrans-61.4-45.9176.5178.6-178.9-15.100111.5T41 I42 A48T41-Q44 WeakPolarHBondContact O-CB 3.26Å; T41-Q44 PolarHBondContact O-N 3.22Å; T41-Q44 WeakPolarHBondContact OG1-CB 3.38Å; T41-Q44 PolarHBondContact OG1-N 3.45Å; I42-Q44 PolarHBondContact O-N 2.95Å; Q44-A48 WeakPolarHBondContact O-CB 3.49Å; Q44-A48 PolarHBondContact O-N 2.98Å
45I98.9Very high98.6Very high22 Ų2254.3 Ų54.311%0.11332%0.317CS..Hα-helixtrans-63-49.9175.9-62.1169.2000109.8A32 P40 T41 I42 L47 A48 F49 I177A32-I45 HydrophobicContact CB-CD1 4.23Å; A32-I45 HydrophobicContact CB-CG1 4.23Å; A32-I45 HydrophobicContact CB-CG2 4.03Å; P40-I45 HydrophobicContact CB-CD1 4.07Å; P40-I45 HydrophobicContact CB-CG1 3.78Å; T41-I45 WeakPolarHBondContact O-CG1 3.33Å; T41-I45 PolarHBondContact O-N 3.5Å; I42-I45 PolarHBondContact O-N 2.79Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 2.88Å; I45-A48 PolarHBondContact O-N 3Å; I45-A48 VanDerWaalsContact O-N 3.14Å; I45-F49 HydrophobicContact CG2-CD2 3.77Å; I45-F49 HydrophobicContact CG2-CE2 3.81Å; I45-F49 WeakPolarHBondContact O-CD2 3.37Å; I45-F49 PolarHBondContact O-N 3.39Å; I45-I177 HydrophobicContact CB-CD1 4.02Å; I45-I177 HydrophobicContact CG2-CD1 3.77Å
46A98.9Very high98.6Very high0 Ų051.2 Ų51.20%031%0.306CS..Hα-helixtrans-57.3-46.8-178.400000112.1I42 L43 G50 T170 H173 L174I42-A46 VanDerWaalsContact O-CB 3.3Å; I42-A46 WeakPolarHBondContact O-CB 3.46Å; I42-A46 PolarHBondContact O-N 3.36Å; L43-A46 PolarHBondContact O-N 3.36Å; A46-G50 PolarHBondContact O-N 3.29Å; A46-T170 HydrophobicContact CB-CG2 3.89Å; A46-T170 PolarHBondContact O-OG1 2.83Å; A46-H173 HydrophobicContact CB-CB 3.52Å; A46-L174 HydrophobicContact CB-CD2 3.94Å; A46-L174 HydrophobicContact CB-CG 4.08Å
47L98.9Very high98.7Very high63 Ų6348 Ų4833%0.3329%0.287SS..Hα-helixtrans-64.5-41176.1-77.1171.5000112L43 I45 F49 G50 L51 T170L43-L47 HydrophobicContact CD1-CD1 3.98Å; L43-L47 HydrophobicContact CD1-CG 4.03Å; L43-L47 HydrophobicContact CG-CD1 3.96Å; L43-L47 HydrophobicContact CG-CG 4.42Å; L43-L47 WeakPolarHBondContact O-CB 3.29Å; L43-L47 WeakPolarHBondContact O-CG 3.34Å; L43-L47 PolarHBondContact O-N 2.9Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 2.88Å; L47-F49 PolarHBondContact O-N 3.4Å; L47-G50 PolarHBondContact O-N 2.99Å; L47-L51 HydrophobicContact CB-CD1 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.98Å; L47-T170 HydrophobicContact CD2-CG2 4.06Å; L47-T170 HydrophobicContact CG-CG2 4.36Å
48A98.9Very high98.7Very high29 Ų2948.8 Ų48.824%0.2428%0.278CS..Hα-helixtrans-61.4-45.4178.900000112S31 Q44 I45 A52S31-A48 VanDerWaalsContact CB-CB 3.41Å; S31-A48 WeakPolarHBondContact OG-CB 3.5Å; Q44-A48 WeakPolarHBondContact O-CB 3.49Å; Q44-A48 PolarHBondContact O-N 2.98Å; I45-A48 PolarHBondContact O-N 3Å; I45-A48 VanDerWaalsContact O-N 3.14Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 2.99Å
49F98.9Very high98.7Very high0 Ų048.6 Ų48.60%028%0.277CS..Hα-helixtrans-64.9-45.7175.9-85.9-94.8000112.3F24 G28 A32 I45 L47 A52 I53 V169 H173 R188F24-F49 AromaticContact CE2-CD1 3.57Å; F24-F49 HydrophobicContact CE2-CD1 3.57Å; F24-F49 HydrophobicContact CE2-CE1 4.18Å; F24-F49 HydrophobicContact CE2-CG 4.48Å; F24-F49 AromaticContact CZ-CD1 3.74Å; F24-F49 HydrophobicContact CZ-CD1 3.74Å; F24-F49 HydrophobicContact CZ-CE1 4.08Å; G28-F49 VanDerWaalsContact CA-CE2 3.47Å; G28-F49 WeakPolarHBondContact O-CE2 3.22Å; G28-F49 WeakPolarHBondContact O-CZ 3.37Å; A32-F49 HydrophobicContact CB-CE2 4.29Å; I45-F49 HydrophobicContact CG2-CD2 3.77Å; I45-F49 HydrophobicContact CG2-CE2 3.81Å; I45-F49 WeakPolarHBondContact O-CD2 3.37Å; I45-F49 PolarHBondContact O-N 3.39Å; L47-F49 PolarHBondContact O-N 3.4Å; F49-A52 PolarHBondContact O-N 3.33Å; F49-I53 PolarHBondContact O-N 3.32Å; F49-I53 VanDerWaalsContact O-N 3.14Å; F49-V169 HydrophobicContact CB-CG1 4.13Å; F49-H173 AromaticContact CD1-CE1 3.76Å; F49-H173 AromaticContact CD1-NE2 3.39Å; F49-H173 WeakPolarHBondContact CD1-NE2 3.45Å; F49-H173 AromaticContact CD2-CD2 3.93Å; F49-H173 AromaticContact CD2-NE2 3.69Å; F49-H173 AromaticContact CE1-NE2 3.95Å; F49-H173 AromaticContact CG-CD2 3.85Å; F49-H173 AromaticContact CG-CE1 3.7Å; F49-H173 AromaticContact CG-NE2 3.26Å; F49-H173 VanDerWaalsContact CG-NE2 3.26Å; F49-H173 WeakPolarHBondContact CG-NE2 3.29Å; F49-R188 HydrophobicContact CE1-CG 3.99Å
50G98.8Very high98.7Very high1 Ų144.3 Ų44.31%0.0126%0.255CS..Hα-helixtrans-68.3-44.3-178.700000113.7A46 L47 A52 I53 G54 G166 T170A46-G50 PolarHBondContact O-N 3.29Å; L47-G50 PolarHBondContact O-N 2.99Å; G50-A52 VanDerWaalsContact C-N 3.35Å; G50-A52 PolarHBondContact O-N 2.9Å; G50-I53 PolarHBondContact O-N 2.75Å; G50-G54 PolarHBondContact O-N 3.28Å; G50-G166 CarbonylContact C-O 3.17Å; G50-G166 WeakPolarHBondContact CA-O 3.38Å; G50-G166 CarbonylContact O-C 3.59Å; G50-G166 WeakPolarHBondContact O-CA 3.48Å; G50-T170 WeakPolarHBondContact CA-OG1 3.43Å
51L98.9Very high98.7Very high84 Ų8444 Ų4444%0.4426%0.256SS..Hα-helixtrans-65.3-38.4175.5-66.4175.2000111.4L47 I53 G54 T55L47-L51 HydrophobicContact CB-CD1 4.4Å; L47-L51 WeakPolarHBondContact O-CB 3.36Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.98Å; L51-I53 PolarHBondContact O-N 3.41Å; L51-G54 PolarHBondContact O-N 2.87Å; L51-T55 VanDerWaalsContact O-CB 3.31Å; L51-T55 WeakPolarHBondContact O-CB 3.34Å; L51-T55 PolarHBondContact O-N 3.44Å; L51-T55 PolarHBondContact O-OG1 3.37Å
52A98.8Very high98.7Very high13 Ų1345.5 Ų45.511%0.10727%0.267CS..Hα-helixtrans-58.2-47.2174.100000111.6F24 F27 A48 F49 G50 L56F24-A52 HydrophobicContact CD2-CB 4.12Å; F27-A52 HydrophobicContact CB-CB 4.5Å; A48-A52 WeakPolarHBondContact O-CB 3.41Å; A48-A52 PolarHBondContact O-N 2.99Å; F49-A52 PolarHBondContact O-N 3.33Å; G50-A52 VanDerWaalsContact C-N 3.35Å; G50-A52 PolarHBondContact O-N 2.9Å; A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 WeakPolarHBondContact O-CD1 3.25Å; A52-L56 WeakPolarHBondContact O-CG 3.31Å; A52-L56 PolarHBondContact O-N 3.25Å
53I98.8Very high98.6Very high16 Ų1646.7 Ų46.78%0.08228%0.276CS..Hα-helixtrans-64-45.8176.1-70.3-68.4000111.5F24 F49 G50 L51 T55 L56 A57 I68 I165 V169F24-I53 HydrophobicContact CD1-CD1 4.3Å; F24-I53 HydrophobicContact CD2-CD1 3.64Å; F24-I53 HydrophobicContact CD2-CG1 3.8Å; F24-I53 HydrophobicContact CE1-CD1 4.35Å; F24-I53 HydrophobicContact CE2-CD1 3.72Å; F24-I53 HydrophobicContact CE2-CG1 3.6Å; F24-I53 HydrophobicContact CG-CD1 3.95Å; F24-I53 HydrophobicContact CZ-CD1 4.09Å; F24-I53 HydrophobicContact CZ-CG1 4.24Å; F49-I53 PolarHBondContact O-N 3.32Å; F49-I53 VanDerWaalsContact O-N 3.14Å; G50-I53 PolarHBondContact O-N 2.75Å; L51-I53 PolarHBondContact O-N 3.41Å; I53-T55 PolarHBondContact O-N 3.11Å; I53-L56 PolarHBondContact O-N 3.49Å; I53-A57 VanDerWaalsContact O-CB 3.25Å; I53-A57 WeakPolarHBondContact O-CB 3.38Å; I53-A57 PolarHBondContact O-N 2.81Å; I53-I68 HydrophobicContact CD1-CB 4.2Å; I53-I68 HydrophobicContact CD1-CD1 4.25Å; I53-I68 HydrophobicContact CD1-CG2 3.96Å; I53-I165 HydrophobicContact CG2-CG2 3.87Å; I53-V169 HydrophobicContact CB-CG2 4.22Å; I53-V169 HydrophobicContact CG1-CG1 4.37Å; I53-V169 HydrophobicContact CG1-CG2 4.14Å; I53-V169 HydrophobicContact CG2-CG2 4.05Å
54G98.7Very high98.6Very high8 Ų842.6 Ų42.68%0.08226%0.256CS..Hα-helixtrans-61-44.4178.900000112.5G50 L51 Q58 A162G50-G54 PolarHBondContact O-N 3.28Å; L51-G54 PolarHBondContact O-N 2.87Å; G54-Q58 WeakPolarHBondContact O-CB 3.43Å; G54-Q58 PolarHBondContact O-N 3.47Å; G54-A162 WeakPolarHBondContact CA-O 3.44Å; G54-A162 WeakPolarHBondContact O-CB 3.43Å
55T98.8Very high98.5Very high93 Ų9340.3 Ų40.357%0.57126%0.259SS*.Hα-helixtrans-62-45.2175.5-63.20000111.7L51 I53 Q58 A59L51-T55 VanDerWaalsContact O-CB 3.31Å; L51-T55 WeakPolarHBondContact O-CB 3.34Å; L51-T55 PolarHBondContact O-N 3.44Å; L51-T55 PolarHBondContact O-OG1 3.37Å; I53-T55 PolarHBondContact O-N 3.11Å; T55-Q58 PolarHBondContact O-N 3.06Å; T55-A59 WeakPolarHBondContact O-CB 3.36Å; T55-A59 PolarHBondContact O-N 3.31Å
56L98.8Very high98.4Very high11 Ų1140 Ų406%0.05826%0.261CS..Hα-helixtrans-71.6-35.5-178.4-70168000112.6A20 I23 F24 A52 I53 Q58 A59 L60 I68A20-L56 HydrophobicContact CB-CD2 4.39Å; A20-L56 VanDerWaalsContact O-CD1 3.29Å; A20-L56 WeakPolarHBondContact O-CD1 3.2Å; I23-L56 HydrophobicContact CB-CD1 4.4Å; I23-L56 HydrophobicContact CB-CD2 4.13Å; I23-L56 HydrophobicContact CD1-CD2 4.28Å; I23-L56 HydrophobicContact CG2-CD1 4.35Å; I23-L56 HydrophobicContact CG2-CD2 4.01Å; F24-L56 HydrophobicContact CB-CD1 3.59Å; A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 WeakPolarHBondContact O-CD1 3.25Å; A52-L56 WeakPolarHBondContact O-CG 3.31Å; A52-L56 PolarHBondContact O-N 3.25Å; I53-L56 PolarHBondContact O-N 3.49Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; L56-A59 PolarHBondContact O-N 2.67Å; L56-L60 HydrophobicContact CD2-CD1 4.23Å; L56-L60 PolarHBondContact O-N 3.25Å; L56-I68 HydrophobicContact CB-CD1 3.58Å; L56-I68 HydrophobicContact CD1-CD1 4.4Å
57A98.4Very high98.4Very high18 Ų1841 Ų4115%0.14927%0.265CS..Hα-helixtrans-61.4-42.3171.200000110.9I53 G61 A162I53-A57 VanDerWaalsContact O-CB 3.25Å; I53-A57 WeakPolarHBondContact O-CB 3.38Å; I53-A57 PolarHBondContact O-N 2.81Å; A57-G61 WeakPolarHBondContact O-CA 3.11Å; A57-G61 PolarHBondContact O-N 3.08Å; A57-A162 HydrophobicContact CB-CB 4.15Å
58Q98.6Very high98.4Very high127 Ų12738.1 Ų38.159%0.59325%0.25SC*.Hα-helixtrans-65.7-42.5175.6-171.166.825.200112.3G54 T55 L56 A162G54-Q58 WeakPolarHBondContact O-CB 3.43Å; G54-Q58 PolarHBondContact O-N 3.47Å; T55-Q58 PolarHBondContact O-N 3.06Å; L56-Q58 VanDerWaalsContact C-N 3.32Å; Q58-A162 HydrophobicContact CB-CB 3.82Å; Q58-A162 VanDerWaalsContact OE1-CB 3.25Å
59A98.4Very high98.4Very high63 Ų6337.1 Ų37.152%0.52124%0.241SC..Hα-helixtrans-80.7-41.8-17200000113.7T55 L56T55-A59 WeakPolarHBondContact O-CB 3.36Å; T55-A59 PolarHBondContact O-N 3.31Å; L56-A59 PolarHBondContact O-N 2.67Å
60L98.3Very high98.4Very high32 Ų3237.1 Ų37.117%0.16824%0.241CC..Hα-helixtrans-118.3-8.1-170.3-62.8175.8000113.3A16 L19 A20 L56 V63 S64A16-L60 HydrophobicContact CB-CD2 4.5Å; L19-L60 HydrophobicContact CD2-CD1 4.49Å; A20-L60 HydrophobicContact CB-CD1 3.76Å; L56-L60 HydrophobicContact CD2-CD1 4.23Å; L56-L60 PolarHBondContact O-N 3.25Å; L60-V63 PolarHBondContact O-N 3.08Å; L60-V63 VanDerWaalsContact O-N 3.08Å; L60-S64 PolarHBondContact O-N 3.2Å; L60-S64 PolarHBondContact O-OG 3.49Å; L60-S64 VanDerWaalsContact O-OG 3.08Å
61G97.7Very high98.4Very high17 Ų1737.1 Ų37.118%0.17524%0.24CC..Hα-helixtrans-52.7-46.6171.400000113.2A57 V63 S64 G65A57-G61 WeakPolarHBondContact O-CA 3.11Å; A57-G61 PolarHBondContact O-N 3.08Å; G61-V63 PolarHBondContact O-N 2.96Å; G61-V63 VanDerWaalsContact O-N 3.08Å; G61-S64 PolarHBondContact O-N 3.01Å; G61-G65 WeakPolarHBondContact O-CA 3.35Å; G61-G65 PolarHBondContact O-N 3.01Å
62P97.9Very high98.4Very high117 Ų11733.2 Ų33.276%0.7622%0.22SC*.Hα-helixtrans-60.7-20.1177.6-26.335.9000115
63V97.9Very high98.4Very high72 Ų7232.6 Ų32.644%0.43622%0.215SC..Hα-helixtrans-90.7-35.7-178.2-1760000112K12 A13 A16 L60 G61K12-V63 HydrophobicContact CB-CG1 4.18Å; A13-V63 WeakPolarHBondContact CB-O 3.25Å; A16-V63 HydrophobicContact CB-CB 4.1Å; A16-V63 HydrophobicContact CB-CG1 3.81Å; L60-V63 PolarHBondContact O-N 3.08Å; L60-V63 VanDerWaalsContact O-N 3.08Å; G61-V63 PolarHBondContact O-N 2.96Å; G61-V63 VanDerWaalsContact O-N 3.08Å
64S97.8Very high98.5Very high10 Ų1034.4 Ų34.47%0.0722%0.224CC..Hα-helixtrans-132.9-14.8-165.858.10000115.3E17 L60 G61 G66 Y90E17-S64 PolarHBondContact OE1-OG 3.49Å; L60-S64 PolarHBondContact O-N 3.2Å; L60-S64 PolarHBondContact O-OG 3.49Å; L60-S64 VanDerWaalsContact O-OG 3.08Å; G61-S64 PolarHBondContact O-N 3.01Å; S64-G66 VanDerWaalsContact C-N 3.28Å; S64-G66 PolarHBondContact OG-N 2.72Å; S64-Y90 WeakPolarHBondContact CA-OH 3.42Å; S64-Y90 VanDerWaalsContact O-CE2 3.29Å; S64-Y90 WeakPolarHBondContact O-CE2 3.37Å; S64-Y90 PolarHBondContact O-OH 3Å
65G97.6Very high98.5Very high51 Ų5134 Ų3453%0.52622%0.22SC..  trans89.8-16.5-161.400000113.2G61G61-G65 WeakPolarHBondContact O-CA 3.35Å; G61-G65 PolarHBondContact O-N 3.01Å
66G97.5Very high98.5Very high15 Ų1530.4 Ų30.416%0.15520%0.198CC..  trans61.150.6173.400000113.1E17 S64E17-G66 WeakPolarHBondContact OE1-CA 3.43Å; E17-G66 PolarHBondContact OE1-N 3.37Å; S64-G66 VanDerWaalsContact C-N 3.28Å; S64-G66 PolarHBondContact OG-N 2.72Å
67H98.8Very high98.5Very high22 Ų2231.4 Ų31.410%0.10220%0.203CC..  trans-69-47.8-179.9-61.7-175000111.2E17 N69 T73 L76 Y90E17-H67 PolarHBondContact OE1-N 2.94Å; H67-N69 WeakPolarHBondContact O-CB 3.37Å; H67-N69 PolarHBondContact O-N 3.05Å; H67-T73 VanDerWaalsContact CB-OG1 3.32Å; H67-T73 WeakPolarHBondContact CB-OG1 3.21Å; H67-T73 PolarHBondContact ND1-OG1 3.12Å; H67-L76 VanDerWaalsContact CE1-CD1 3.43Å; H67-L76 WeakPolarHBondContact CE1-CD1 3.46Å; H67-L76 VanDerWaalsContact NE2-CD1 3.29Å; H67-L76 WeakPolarHBondContact NE2-CD1 3.35Å; H67-Y90 HydrophobicContact CB-CD2 4.5Å; H67-Y90 AromaticContact CE1-CD2 3.73Å; H67-Y90 AromaticContact CE1-CE2 3.73Å; H67-Y90 AromaticContact CG-CD2 4Å; H67-Y90 AromaticContact ND1-CD2 3.45Å; H67-Y90 WeakPolarHBondContact ND1-CD2 3.42Å; H67-Y90 AromaticContact ND1-CE2 3.84Å
68I98.8Very high98.5Very high1 Ų133.4 Ų33.41%0.00521%0.213CC..  trans57.810.5173.9-43.6170.9000112.5E17 A20 F24 I53 L56 N185E17-I68 WeakPolarHBondContact OE2-CA 3.49Å; E17-I68 PolarHBondContact OE2-N 2.92Å; A20-I68 HydrophobicContact CB-CD1 3.92Å; A20-I68 HydrophobicContact CB-CG1 3.71Å; A20-I68 HydrophobicContact CB-CG2 4.27Å; F24-I68 HydrophobicContact CB-CG2 3.95Å; F24-I68 HydrophobicContact CD1-CG2 4.02Å; F24-I68 HydrophobicContact CG-CG2 4.14Å; I53-I68 HydrophobicContact CD1-CB 4.2Å; I53-I68 HydrophobicContact CD1-CD1 4.25Å; I53-I68 HydrophobicContact CD1-CG2 3.96Å; L56-I68 HydrophobicContact CB-CD1 3.58Å; L56-I68 HydrophobicContact CD1-CD1 4.4Å; I68-N185 PolarHBondContact O-ND2 3.36Å
69N98.9Very high98.5Very high8 Ų827.4 Ų27.44%0.04319%0.185CC..SBendtrans-156.7122.6-165.9-173.3-16.6000110.8H67 A71 I72 T73 Q94 M184 N185 P186H67-N69 WeakPolarHBondContact O-CB 3.37Å; H67-N69 PolarHBondContact O-N 3.05Å; N69-A71 VanDerWaalsContact C-N 3.29Å; N69-A71 PolarHBondContact O-N 3.32Å; N69-A71 WeakPolarHBondContact OD1-CB 3.49Å; N69-A71 PolarHBondContact OD1-N 2.94Å; N69-I72 HydrophobicContact CB-CB 4.17Å; N69-I72 HydrophobicContact CB-CG1 3.91Å; N69-I72 PolarHBondContact O-N 3.02Å; N69-T73 PolarHBondContact O-N 3.49Å; N69-T73 PolarHBondContact O-OG1 3.35Å; N69-Q94 PolarHBondContact O-OE1 3.08Å; N69-M184 PolarHBondContact ND2-O 3.26Å; N69-N185 HydrophobicContact CB-CB 4.46Å; N69-N185 WeakPolarHBondContact CB-ND2 3.41Å; N69-N185 WeakPolarHBondContact ND2-CB 3.47Å; N69-N185 WeakPolarHBondContact OD1-CA 3.35Å; N69-N185 PolarHBondContact OD1-OD1 3.26Å; N69-P186 WeakPolarHBondContact OD1-CD 3.46Å
70P98.9Very high98.4Very high1 Ų124.8 Ų24.81%0.00616%0.162CC..Hα-helixtrans-58.1-37.7175.4-29.336.8000113.7I72 T73 L74 V91 Q94 L95 N185 P186 A187P70-I72 PolarHBondContact O-N 3.37Å; P70-T73 PolarHBondContact O-N 3.13Å; P70-L74 WeakPolarHBondContact O-CB 3.41Å; P70-L74 VanDerWaalsContact O-CG 3.26Å; P70-L74 WeakPolarHBondContact O-CG 3.47Å; P70-L74 PolarHBondContact O-N 3.45Å; P70-V91 HydrophobicContact CB-CG1 4.2Å; P70-V91 HydrophobicContact CB-CG2 4.15Å; P70-V91 HydrophobicContact CG-CG1 4.43Å; P70-Q94 VanDerWaalsContact CA-OE1 3.29Å; P70-Q94 HydrophobicContact CG-CB 4.35Å; P70-L95 HydrophobicContact CG-CD2 4.44Å; P70-N185 WeakPolarHBondContact CD-OD1 3.21Å; P70-P186 HydrophobicContact CB-CB 4.27Å; P70-P186 HydrophobicContact CB-CG 4.2Å; P70-P186 HydrophobicContact CG-CB 4.28Å; P70-A187 HydrophobicContact CG-CB 3.82Å
71A98.9Very high98.4Very high0 Ų027 Ų270%017%0.172CC..Hα-helixtrans-63.7-43.4-179.800000111.9N69 A75 T139 P186 P210 I211 A214N69-A71 VanDerWaalsContact C-N 3.29Å; N69-A71 PolarHBondContact O-N 3.32Å; N69-A71 WeakPolarHBondContact OD1-CB 3.49Å; N69-A71 PolarHBondContact OD1-N 2.94Å; A71-A75 VanDerWaalsContact O-CB 3.26Å; A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.47Å; A71-T139 HydrophobicContact CB-CG2 4.15Å; A71-P186 HydrophobicContact CB-CG 4.43Å; A71-P210 HydrophobicContact CB-CB 3.83Å; A71-I211 HydrophobicContact CB-CG1 4.17Å; A71-A214 HydrophobicContact CB-CB 4.02Å; A71-A214 WeakPolarHBondContact O-CB 3.5Å
72I98.9Very high98.4Very high3 Ų327.1 Ų27.12%0.01517%0.168CC..Hα-helixtrans-68.3-41.6176.9-58.6-53.8000111N69 P70 L74 A75 L76 L142 A143 I146 A214N69-I72 HydrophobicContact CB-CB 4.17Å; N69-I72 HydrophobicContact CB-CG1 3.91Å; N69-I72 PolarHBondContact O-N 3.02Å; P70-I72 PolarHBondContact O-N 3.37Å; I72-L74 PolarHBondContact O-N 3.01Å; I72-A75 PolarHBondContact O-N 3.48Å; I72-L76 HydrophobicContact CG2-CD1 4.09Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 3.39Å; I72-L142 HydrophobicContact CD1-CD2 4.49Å; I72-L142 HydrophobicContact CD1-CG 4.46Å; I72-A143 HydrophobicContact CD1-CB 3.81Å; I72-I146 HydrophobicContact CD1-CD1 3.74Å; I72-I146 HydrophobicContact CG1-CD1 3.83Å; I72-I146 HydrophobicContact CG2-CD1 4.01Å; I72-A214 HydrophobicContact CD1-CB 4.26Å
73T98.9Very high98.5Very high0 Ų021.7 Ų21.70%013%0.133CC..Hα-helixtrans-60.2-46.7177.3-58.50000111.6H67 N69 P70 A75 L76 L77 I82 A87 Y90 V91 Q94H67-T73 VanDerWaalsContact CB-OG1 3.32Å; H67-T73 WeakPolarHBondContact CB-OG1 3.21Å; H67-T73 PolarHBondContact ND1-OG1 3.12Å; N69-T73 PolarHBondContact O-N 3.49Å; N69-T73 PolarHBondContact O-OG1 3.35Å; P70-T73 PolarHBondContact O-N 3.13Å; T73-A75 VanDerWaalsContact C-N 3.34Å; T73-L76 PolarHBondContact O-N 3.43Å; T73-L77 PolarHBondContact O-N 2.82Å; T73-I82 HydrophobicContact CG2-CD1 3.86Å; T73-I82 WeakPolarHBondContact O-CD1 3.37Å; T73-A87 HydrophobicContact CG2-CB 4.06Å; T73-Y90 HydrophobicContact CG2-CD2 4.45Å; T73-V91 HydrophobicContact CG2-CG2 4.01Å; T73-Q94 PolarHBondContact OG1-NE2 3.3Å
74L98.9Very high98.5Very high53 Ų5322.9 Ų22.928%0.27714%0.137SC..Hα-helixtrans-67.8-35.4177.4-67.4171.8000111.9P70 I72 L77 V78 V91 I211P70-L74 WeakPolarHBondContact O-CB 3.41Å; P70-L74 VanDerWaalsContact O-CG 3.26Å; P70-L74 WeakPolarHBondContact O-CG 3.47Å; P70-L74 PolarHBondContact O-N 3.45Å; I72-L74 PolarHBondContact O-N 3.01Å; L74-L77 WeakPolarHBondContact O-CB 3.29Å; L74-L77 PolarHBondContact O-N 3.03Å; L74-V78 WeakPolarHBondContact O-CG2 3.33Å; L74-V78 PolarHBondContact O-N 3.29Å; L74-V91 HydrophobicContact CG-CG2 4.42Å; L74-I211 HydrophobicContact CD1-CD1 3.88Å; L74-I211 HydrophobicContact CD1-CG1 4.11Å; L74-I211 HydrophobicContact CD1-CG2 4.34Å
75A98.9Very high98.5Very high0 Ų024.7 Ų24.70%015%0.145CC..Hα-helixtrans-64.8-40.5174.800000112.4A71 I72 T73 L77 V78 G79 F147 A214 A218A71-A75 VanDerWaalsContact O-CB 3.26Å; A71-A75 WeakPolarHBondContact O-CB 3.48Å; A71-A75 PolarHBondContact O-N 3.47Å; I72-A75 PolarHBondContact O-N 3.48Å; T73-A75 VanDerWaalsContact C-N 3.34Å; A75-L77 VanDerWaalsContact C-N 3.34Å; A75-V78 PolarHBondContact O-N 3.38Å; A75-G79 PolarHBondContact O-N 3.03Å; A75-F147 HydrophobicContact CB-CZ 3.93Å; A75-A214 VanDerWaalsContact CB-C 3.47Å; A75-A214 HydrophobicContact CB-CB 3.63Å; A75-A214 VanDerWaalsContact CB-O 3.3Å; A75-A214 WeakPolarHBondContact CB-O 3.32Å; A75-A218 HydrophobicContact CB-CB 4.01Å; A75-A218 WeakPolarHBondContact O-CB 3.46Å
76L98.8Very high98.5Very high17 Ų1724.8 Ų24.89%0.08913%0.13CC..Hα-helixtrans-66.5-34.5173.4-73.9167.9000112.2H67 I72 T73 G79 N80 Q81 I82 F147 F222H67-L76 VanDerWaalsContact CE1-CD1 3.43Å; H67-L76 WeakPolarHBondContact CE1-CD1 3.46Å; H67-L76 VanDerWaalsContact NE2-CD1 3.29Å; H67-L76 WeakPolarHBondContact NE2-CD1 3.35Å; I72-L76 HydrophobicContact CG2-CD1 4.09Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 3.39Å; T73-L76 PolarHBondContact O-N 3.43Å; L76-G79 CarbonylContact O-C 3.47Å; L76-G79 PolarHBondContact O-N 3.28Å; L76-N80 PolarHBondContact O-N 3.44Å; L76-Q81 HydrophobicContact CB-CB 4.19Å; L76-Q81 HydrophobicContact CD2-CB 3.82Å; L76-Q81 HydrophobicContact CD2-CG 3.85Å; L76-Q81 WeakPolarHBondContact O-CB 3.29Å; L76-Q81 PolarHBondContact O-N 3.43Å; L76-I82 HydrophobicContact CB-CD1 4.23Å; L76-I82 HydrophobicContact CB-CG1 4.16Å; L76-I82 HydrophobicContact CB-CG2 4.44Å; L76-F147 HydrophobicContact CD2-CD1 3.9Å; L76-F147 HydrophobicContact CD2-CE1 3.57Å; L76-F147 HydrophobicContact CG-CE1 3.89Å; L76-F222 HydrophobicContact CD2-CE2 4.33Å; L76-F222 HydrophobicContact CD2-CZ 4.17Å
77L98.8Very high98.6Very high33 Ų3324.2 Ų24.217%0.17312%0.124CC..Hα-helixtrans-62.7-49.3171.3176.365.1000110.7T73 L74 A75 G79 N80 I82 L84 A87T73-L77 PolarHBondContact O-N 2.82Å; L74-L77 WeakPolarHBondContact O-CB 3.29Å; L74-L77 PolarHBondContact O-N 3.03Å; A75-L77 VanDerWaalsContact C-N 3.34Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 3.41Å; L77-N80 PolarHBondContact O-N 2.8Å; L77-I82 HydrophobicContact CB-CD1 4.28Å; L77-I82 HydrophobicContact CB-CG1 4.07Å; L77-L84 HydrophobicContact CD1-CB 4.37Å; L77-L84 HydrophobicContact CD1-CD1 4.44Å; L77-L84 HydrophobicContact CD2-CD1 3.78Å; L77-A87 HydrophobicContact CB-CB 4.1Å; L77-A87 HydrophobicContact CD1-CB 4.34Å; L77-A87 HydrophobicContact CD2-CB 3.85Å; L77-A87 HydrophobicContact CG-CB 4.32Å
78V98.6Very high98.6Very high60 Ų6029.6 Ų29.636%0.36415%0.147SC..Hα-helixtrans-62.6-36.8177.3172.10000111.4L74 A75 N80 V215 I219 Y223L74-V78 WeakPolarHBondContact O-CG2 3.33Å; L74-V78 PolarHBondContact O-N 3.29Å; A75-V78 PolarHBondContact O-N 3.38Å; V78-N80 PolarHBondContact O-N 2.73Å; V78-V215 HydrophobicContact CG1-CG1 4.1Å; V78-V215 HydrophobicContact CG2-CG1 4.44Å; V78-V215 HydrophobicContact CG2-CG2 4.1Å; V78-I219 HydrophobicContact CG1-CG1 4.28Å; V78-Y223 WeakPolarHBondContact O-CE2 3.17Å; V78-Y223 PolarHBondContact O-OH 3.2Å
79G98.4Very high98.5Very high1 Ų133.2 Ų33.21%0.0116%0.163CC..THydrogen-bonded Turntrans-746.1174.200000114.7A75 L76 L77 Q81A75-G79 PolarHBondContact O-N 3.03Å; L76-G79 CarbonylContact O-C 3.47Å; L76-G79 PolarHBondContact O-N 3.28Å; L77-G79 VanDerWaalsContact C-N 3.28Å; L77-G79 PolarHBondContact O-N 3.41Å; G79-Q81 VanDerWaalsContact C-N 3.29Å; G79-Q81 PolarHBondContact O-N 3.31Å; G79-Q81 PolarHBondContact O-NE2 2.91Å
80N98.1Very high98.5Very high7 Ų732.8 Ų32.84%0.03716%0.161CC..THydrogen-bonded Turntrans55.640.3-179-165.9-120.3000113.3L76 L77 V78 R235L76-N80 PolarHBondContact O-N 3.44Å; L77-N80 PolarHBondContact O-N 2.8Å; V78-N80 PolarHBondContact O-N 2.73Å; N80-R235 PolarHBondContact ND2-O 2.79Å; N80-R235 WeakPolarHBondContact OD1-CA 3.29Å; N80-R235 WeakPolarHBondContact OD1-CB 3.47Å; N80-R235 VanDerWaalsContact OD1-CG 3.29Å; N80-R235 WeakPolarHBondContact OD1-CG 3.36Å
81Q97.9Very high98.5Very high80 Ų8034 Ų3437%0.37417%0.168SC..  trans-103.2-19179.9-57.5-57.2-62.400113.3L76 G79 F222L76-Q81 HydrophobicContact CB-CB 4.19Å; L76-Q81 HydrophobicContact CD2-CB 3.82Å; L76-Q81 HydrophobicContact CD2-CG 3.85Å; L76-Q81 WeakPolarHBondContact O-CB 3.29Å; L76-Q81 PolarHBondContact O-N 3.43Å; G79-Q81 VanDerWaalsContact C-N 3.29Å; G79-Q81 PolarHBondContact O-N 3.31Å; G79-Q81 PolarHBondContact O-NE2 2.91Å; Q81-F222 VanDerWaalsContact CD-CE1 3.46Å; Q81-F222 HydrophobicContact CG-CD1 4.2Å; Q81-F222 HydrophobicContact CG-CD2 4.4Å; Q81-F222 HydrophobicContact CG-CE1 3.71Å; Q81-F222 HydrophobicContact CG-CE2 3.94Å; Q81-F222 HydrophobicContact CG-CZ 3.57Å
82I97.9Very high98.5Very high18 Ų1835.9 Ų35.99%0.09218%0.183CC..SBendtrans-138.2160.8-179.361.3168.9000111.8T73 L76 L77 A87T73-I82 HydrophobicContact CG2-CD1 3.86Å; T73-I82 WeakPolarHBondContact O-CD1 3.37Å; L76-I82 HydrophobicContact CB-CD1 4.23Å; L76-I82 HydrophobicContact CB-CG1 4.16Å; L76-I82 HydrophobicContact CB-CG2 4.44Å; L77-I82 HydrophobicContact CB-CD1 4.28Å; L77-I82 HydrophobicContact CB-CG1 4.07Å; I82-A87 HydrophobicContact CD1-CB 3.72Å; I82-A87 HydrophobicContact CG1-CB 4.48Å
83S98.1Very high98.5Very high4 Ų436.2 Ų36.23%0.02819%0.187CC..  trans-73155.1173.578.70000112.4E4 L85 R86 A87 I238E4-S83 VanDerWaalsContact CD-OG 3.3Å; E4-S83 PolarHBondContact OE1-OG 2.86Å; E4-S83 VanDerWaalsContact OE2-CB 3.29Å; E4-S83 WeakPolarHBondContact OE2-CB 3.17Å; E4-S83 PolarHBondContact OE2-OG 2.79Å; S83-L85 VanDerWaalsContact C-N 3.29Å; S83-L85 PolarHBondContact O-N 2.95Å; S83-R86 PolarHBondContact O-N 3.2Å; S83-R86 VanDerWaalsContact OG-CB 3.31Å; S83-R86 WeakPolarHBondContact OG-CB 3.22Å; S83-R86 PolarHBondContact OG-N 3.08Å; S83-R86 VanDerWaalsContact OG-N 3.09Å; S83-A87 PolarHBondContact O-N 2.79Å; S83-I238 WeakPolarHBondContact CA-O 3.44Å; S83-I238 VanDerWaalsContact CB-O 3.26Å; S83-I238 WeakPolarHBondContact CB-O 3.3Å
84L98.3Very high98.5Very high97 Ų9736.2 Ų36.251%0.50819%0.187SC..Hα-helixtrans-61.4-39.5176.817963000111.8L77 A87 F88 I239L77-L84 HydrophobicContact CD1-CB 4.37Å; L77-L84 HydrophobicContact CD1-CD1 4.44Å; L77-L84 HydrophobicContact CD2-CD1 3.78Å; L84-A87 PolarHBondContact O-N 2.87Å; L84-F88 PolarHBondContact O-N 2.93Å; L84-I239 HydrophobicContact CB-CG2 4.15Å; L84-I239 PolarHBondContact N-O 3.26Å
85L97.6Very high98.5Very high47 Ų4735.1 Ų35.125%0.24618%0.181CC..Hα-helixtrans-68.2-42.2179.1-69.5176000111.2M1 V5 S83 A87 F88 F89M1-L85 HydrophobicContact CB-CD1 4.32Å; M1-L85 HydrophobicContact CE-CD1 3.66Å; M1-L85 HydrophobicContact CE-CG 4.13Å; M1-L85 HydrophobicContact CG-CD1 4.34Å; V5-L85 HydrophobicContact CG2-CB 3.79Å; V5-L85 HydrophobicContact CG2-CD1 3.61Å; V5-L85 HydrophobicContact CG2-CG 4.31Å; S83-L85 VanDerWaalsContact C-N 3.29Å; S83-L85 PolarHBondContact O-N 2.95Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A87 PolarHBondContact O-N 3.29Å; L85-F88 PolarHBondContact O-N 2.79Å; L85-F89 VanDerWaalsContact O-CD2 3.25Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 2.87Å
86R98.4Very high98.5Very high53 Ų5339.2 Ų39.220%0.221%0.206CC..Hα-helixtrans-57.5-47.4172.7-174.5172.3-62.3-930.5111.3E4 F10 S83 F88 F89 Y90E4-R86 IonicContact OE1-CZ 3.41Å; E4-R86 IonicContact OE1-NE 2.68Å; E4-R86 PolarHBondContact OE1-NE 3.34Å; E4-R86 VanDerWaalsContact OE1-NE 3.09Å; E4-R86 IonicContact OE1-NH2 2.87Å; E4-R86 PolarHBondContact OE1-NH2 3.41Å; F10-R86 HydrophobicContact CE2-CB 3.89Å; F10-R86 HydrophobicContact CE2-CG 4.19Å; S83-R86 PolarHBondContact O-N 3.2Å; S83-R86 VanDerWaalsContact OG-CB 3.31Å; S83-R86 WeakPolarHBondContact OG-CB 3.22Å; S83-R86 PolarHBondContact OG-N 3.08Å; S83-R86 VanDerWaalsContact OG-N 3.09Å; R86-F88 VanDerWaalsContact C-N 3.33Å; R86-F88 PolarHBondContact O-N 3.01Å; R86-F89 PolarHBondContact O-N 3.12Å; R86-Y90 HydrophobicContact CG-CD1 3.83Å; R86-Y90 HydrophobicContact CG-CD2 4.35Å; R86-Y90 HydrophobicContact CG-CE1 3.6Å; R86-Y90 HydrophobicContact CG-CE2 4.15Å; R86-Y90 HydrophobicContact CG-CG 4.2Å; R86-Y90 PolarHBondContact NH1-OH 2.85Å; R86-Y90 VanDerWaalsContact O-CB 3.26Å; R86-Y90 WeakPolarHBondContact O-CB 3.33Å; R86-Y90 WeakPolarHBondContact O-CD1 3.4Å; R86-Y90 PolarHBondContact O-N 3.44Å
87A98.8Very high98.5Very high3 Ų338.4 Ų38.43%0.02520%0.202CC..Hα-helixtrans-56.9-47.3178.500000111.7T73 L77 I82 S83 L84 L85 Y90 V91T73-A87 HydrophobicContact CG2-CB 4.06Å; L77-A87 HydrophobicContact CB-CB 4.1Å; L77-A87 HydrophobicContact CD1-CB 4.34Å; L77-A87 HydrophobicContact CD2-CB 3.85Å; L77-A87 HydrophobicContact CG-CB 4.32Å; I82-A87 HydrophobicContact CD1-CB 3.72Å; I82-A87 HydrophobicContact CG1-CB 4.48Å; S83-A87 PolarHBondContact O-N 2.79Å; L84-A87 PolarHBondContact O-N 2.87Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A87 PolarHBondContact O-N 3.29Å; A87-Y90 PolarHBondContact O-N 2.99Å; A87-V91 WeakPolarHBondContact O-CB 3.39Å; A87-V91 VanDerWaalsContact O-CG2 3.23Å; A87-V91 WeakPolarHBondContact O-CG2 3.38Å; A87-V91 PolarHBondContact O-N 2.71Å
88F98.6Very high98.6Very high136 Ų13636.9 Ų36.960%0.59619%0.193SC*.Hα-helixtrans-60.3-52178.1176.9-97.3000112.6L84 L85 R86 Y90 V91 A92L84-F88 PolarHBondContact O-N 2.93Å; L85-F88 PolarHBondContact O-N 2.79Å; R86-F88 VanDerWaalsContact C-N 3.33Å; R86-F88 PolarHBondContact O-N 3.01Å; F88-Y90 VanDerWaalsContact C-N 3.34Å; F88-Y90 PolarHBondContact O-N 3.49Å; F88-V91 PolarHBondContact O-N 3.01Å; F88-A92 WeakPolarHBondContact O-CB 3.14Å; F88-A92 PolarHBondContact O-N 3.33Å
89F98.7Very high98.6Very high76 Ų7636.6 Ų36.633%0.33319%0.189SC..Hα-helixtrans-66.3-36.2-178.5-81.4-75.2000112.5V5 F10 V14 L85 R86 A93V5-F89 HydrophobicContact CG1-CD2 4.48Å; V5-F89 HydrophobicContact CG1-CE2 3.83Å; V5-F89 HydrophobicContact CG1-CZ 4.26Å; F10-F89 HydrophobicContact CE1-CB 4.14Å; F10-F89 AromaticContact CE1-CD2 3.8Å; F10-F89 HydrophobicContact CE1-CD2 3.8Å; F10-F89 HydrophobicContact CE1-CE2 4.42Å; F10-F89 AromaticContact CE1-CG 3.99Å; F10-F89 HydrophobicContact CE1-CG 3.99Å; F10-F89 HydrophobicContact CZ-CB 3.96Å; F10-F89 AromaticContact CZ-CD2 3.7Å; F10-F89 HydrophobicContact CZ-CD2 3.7Å; F10-F89 HydrophobicContact CZ-CG 4.07Å; V14-F89 HydrophobicContact CG1-CB 4.33Å; V14-F89 HydrophobicContact CG2-CB 3.78Å; L85-F89 VanDerWaalsContact O-CD2 3.25Å; L85-F89 WeakPolarHBondContact O-CD2 3.36Å; L85-F89 PolarHBondContact O-N 2.87Å; R86-F89 PolarHBondContact O-N 3.12Å; F89-A93 VanDerWaalsContact O-CB 3.22Å; F89-A93 WeakPolarHBondContact O-CB 3.18Å; F89-A93 PolarHBondContact O-N 2.97Å
90Y98.9Very high98.6Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-64.9-48.8175.4-83.829000111.2A13 V14 E17 S64 H67 T73 R86 A87 F88 A92 A93 Q94A13-Y90 HydrophobicContact CB-CE1 4.19Å; A13-Y90 WeakPolarHBondContact CB-OH 3.31Å; V14-Y90 HydrophobicContact CG2-CD1 4.2Å; V14-Y90 HydrophobicContact CG2-CE1 4.21Å; E17-Y90 HydrophobicContact CG-CD1 4.06Å; E17-Y90 HydrophobicContact CG-CD2 3.57Å; E17-Y90 HydrophobicContact CG-CE1 4.14Å; E17-Y90 HydrophobicContact CG-CE2 3.66Å; E17-Y90 HydrophobicContact CG-CG 3.78Å; S64-Y90 WeakPolarHBondContact CA-OH 3.42Å; S64-Y90 VanDerWaalsContact O-CE2 3.29Å; S64-Y90 WeakPolarHBondContact O-CE2 3.37Å; S64-Y90 PolarHBondContact O-OH 3Å; H67-Y90 HydrophobicContact CB-CD2 4.5Å; H67-Y90 AromaticContact CE1-CD2 3.73Å; H67-Y90 AromaticContact CE1-CE2 3.73Å; H67-Y90 AromaticContact CG-CD2 4Å; H67-Y90 AromaticContact ND1-CD2 3.45Å; H67-Y90 WeakPolarHBondContact ND1-CD2 3.42Å; H67-Y90 AromaticContact ND1-CE2 3.84Å; T73-Y90 HydrophobicContact CG2-CD2 4.45Å; R86-Y90 HydrophobicContact CG-CD1 3.83Å; R86-Y90 HydrophobicContact CG-CD2 4.35Å; R86-Y90 HydrophobicContact CG-CE1 3.6Å; R86-Y90 HydrophobicContact CG-CE2 4.15Å; R86-Y90 HydrophobicContact CG-CG 4.2Å; R86-Y90 PolarHBondContact NH1-OH 2.85Å; R86-Y90 VanDerWaalsContact O-CB 3.26Å; R86-Y90 WeakPolarHBondContact O-CB 3.33Å; R86-Y90 WeakPolarHBondContact O-CD1 3.4Å; R86-Y90 PolarHBondContact O-N 3.44Å; A87-Y90 PolarHBondContact O-N 2.99Å; F88-Y90 VanDerWaalsContact C-N 3.34Å; F88-Y90 PolarHBondContact O-N 3.49Å; Y90-A92 VanDerWaalsContact C-N 3.31Å; Y90-A92 PolarHBondContact O-N 3.5Å; Y90-A93 PolarHBondContact O-N 2.73Å; Y90-Q94 WeakPolarHBondContact O-CB 3.26Å; Y90-Q94 WeakPolarHBondContact O-CG 3.23Å; Y90-Q94 PolarHBondContact O-N 2.83Å
91V98.9Very high98.6Very high26 Ų2637.6 Ų37.616%0.15820%0.199CC..Hα-helixtrans-59.4-44.1177.9171.20000110.8P70 T73 L74 A87 F88 Q94 L95P70-V91 HydrophobicContact CB-CG1 4.2Å; P70-V91 HydrophobicContact CB-CG2 4.15Å; P70-V91 HydrophobicContact CG-CG1 4.43Å; T73-V91 HydrophobicContact CG2-CG2 4.01Å; L74-V91 HydrophobicContact CG-CG2 4.42Å; A87-V91 WeakPolarHBondContact O-CB 3.39Å; A87-V91 VanDerWaalsContact O-CG2 3.23Å; A87-V91 WeakPolarHBondContact O-CG2 3.38Å; A87-V91 PolarHBondContact O-N 2.71Å; F88-V91 PolarHBondContact O-N 3.01Å; V91-Q94 PolarHBondContact O-N 3.42Å; V91-L95 HydrophobicContact CG1-CD1 3.91Å; V91-L95 HydrophobicContact CG1-CG 4.46Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.36Å; V91-L95 PolarHBondContact O-N 2.99Å
92A98.9Very high98.7Very high39 Ų3933.8 Ų33.832%0.32218%0.181SC..Hα-helixtrans-61.2-47.9176.200000111.9F88 Y90 Q94 L95 V96F88-A92 WeakPolarHBondContact O-CB 3.14Å; F88-A92 PolarHBondContact O-N 3.33Å; Y90-A92 VanDerWaalsContact C-N 3.31Å; Y90-A92 PolarHBondContact O-N 3.5Å; A92-Q94 PolarHBondContact O-N 3.42Å; A92-L95 PolarHBondContact O-N 2.93Å; A92-V96 VanDerWaalsContact O-CG2 3.31Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.02Å
93A98.9Very high98.7Very high11 Ų1134.4 Ų34.49%0.09119%0.191CC..Hα-helixtrans-61.5-42178.200000112.4V14 E17 F18 F89 Y90 V96 G97V14-A93 HydrophobicContact CG1-CB 3.88Å; V14-A93 WeakPolarHBondContact O-CB 3.42Å; E17-A93 HydrophobicContact CB-CB 4.37Å; F18-A93 HydrophobicContact CB-CB 4.01Å; F89-A93 VanDerWaalsContact O-CB 3.22Å; F89-A93 WeakPolarHBondContact O-CB 3.18Å; F89-A93 PolarHBondContact O-N 2.97Å; Y90-A93 PolarHBondContact O-N 2.73Å; A93-V96 PolarHBondContact O-N 3.3Å; A93-G97 WeakPolarHBondContact O-CA 3.36Å; A93-G97 PolarHBondContact O-N 2.92Å
94Q98.9Very high98.8Very high0 Ų038.1 Ų38.10%021%0.21CC..Hα-helixtrans-63-45.5177.1-70.7155.83.600111.4E17 T21 N69 P70 T73 Y90 V91 A92 G97 A98 A187E17-Q94 HydrophobicContact CB-CG 4.43Å; E17-Q94 PolarHBondContact OE2-NE2 3.41Å; T21-Q94 HydrophobicContact CG2-CB 4.36Å; T21-Q94 WeakPolarHBondContact CG2-O 3.38Å; T21-Q94 WeakPolarHBondContact OG1-CG 3.26Å; N69-Q94 PolarHBondContact O-OE1 3.08Å; P70-Q94 VanDerWaalsContact CA-OE1 3.29Å; P70-Q94 HydrophobicContact CG-CB 4.35Å; T73-Q94 PolarHBondContact OG1-NE2 3.3Å; Y90-Q94 WeakPolarHBondContact O-CB 3.26Å; Y90-Q94 WeakPolarHBondContact O-CG 3.23Å; Y90-Q94 PolarHBondContact O-N 2.83Å; V91-Q94 PolarHBondContact O-N 3.42Å; A92-Q94 PolarHBondContact O-N 3.42Å; Q94-G97 PolarHBondContact O-N 3.16Å; Q94-A98 WeakPolarHBondContact O-CB 3.44Å; Q94-A98 PolarHBondContact O-N 3.05Å; Q94-A187 HydrophobicContact CB-CB 4.26Å
95L98.9Very high98.8Very high30 Ų3033.9 Ų33.916%0.15719%0.188CC..Hα-helixtrans-64.6-44.7178.8-67.7168.8000111.7P70 V91 A92 A98 I99 A187 F190 W207P70-L95 HydrophobicContact CG-CD2 4.44Å; V91-L95 HydrophobicContact CG1-CD1 3.91Å; V91-L95 HydrophobicContact CG1-CG 4.46Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.36Å; V91-L95 PolarHBondContact O-N 2.99Å; A92-L95 PolarHBondContact O-N 2.93Å; L95-A98 PolarHBondContact O-N 2.84Å; L95-I99 WeakPolarHBondContact O-CG1 3.3Å; L95-I99 PolarHBondContact O-N 3.35Å; L95-I99 VanDerWaalsContact O-N 3.12Å; L95-A187 HydrophobicContact CD2-CB 4.05Å; L95-F190 HydrophobicContact CB-CD1 4.32Å; L95-F190 HydrophobicContact CB-CE1 4.43Å; L95-F190 HydrophobicContact CD2-CB 4.14Å; L95-F190 HydrophobicContact CD2-CD1 3.62Å; L95-F190 HydrophobicContact CD2-CE1 4.26Å; L95-F190 HydrophobicContact CD2-CG 4.06Å; L95-W207 HydrophobicContact CD1-CH2 4.1Å; L95-W207 HydrophobicContact CD2-CH2 3.6Å; L95-W207 HydrophobicContact CD2-CZ2 4.13Å
96V98.9Very high98.9Very high86 Ų8636.1 Ų36.152%0.52119%0.194SC..Hα-helixtrans-66.2-41.4176.8177.10000111F18 A92 A93 I99 A100F18-V96 HydrophobicContact CD2-CB 4.49Å; F18-V96 HydrophobicContact CD2-CG1 4.23Å; F18-V96 HydrophobicContact CE2-CG1 4.02Å; A92-V96 VanDerWaalsContact O-CG2 3.31Å; A92-V96 WeakPolarHBondContact O-CG2 3.4Å; A92-V96 PolarHBondContact O-N 3.02Å; A93-V96 PolarHBondContact O-N 3.3Å; V96-I99 PolarHBondContact O-N 2.82Å; V96-A100 WeakPolarHBondContact O-CB 3.2Å; V96-A100 PolarHBondContact O-N 3.2Å
97G98.9Very high98.9Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-59.9-45.5175.300000111.9F18 L22 A93 Q94 I99 A100 G101F18-G97 VanDerWaalsContact CD2-CA 3.44Å; L22-G97 WeakPolarHBondContact CA-O 3.4Å; L22-G97 WeakPolarHBondContact CB-O 3.46Å; A93-G97 WeakPolarHBondContact O-CA 3.36Å; A93-G97 PolarHBondContact O-N 2.92Å; Q94-G97 PolarHBondContact O-N 3.16Å; G97-I99 PolarHBondContact O-N 3.48Å; G97-A100 PolarHBondContact O-N 2.96Å; G97-G101 PolarHBondContact O-N 3.33Å
98A98.9Very high98.9Very high0 Ų040.8 Ų40.80%024%0.24CC..Hα-helixtrans-60.9-43.1176.500000112.9T21 V25 Q94 L95 G101 A102 A187T21-A98 HydrophobicContact CG2-CB 3.88Å; V25-A98 WeakPolarHBondContact CG1-O 3.49Å; V25-A98 HydrophobicContact CG2-CB 3.82Å; Q94-A98 WeakPolarHBondContact O-CB 3.44Å; Q94-A98 PolarHBondContact O-N 3.05Å; L95-A98 PolarHBondContact O-N 2.84Å; A98-G101 PolarHBondContact O-N 3.13Å; A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 3.3Å; A98-A187 HydrophobicContact CB-CB 3.95Å; A98-A187 WeakPolarHBondContact CB-O 3.2Å
99I98.9Very high98.8Very high54 Ų5434.5 Ų34.528%0.27721%0.213SC..Hα-helixtrans-61.9-46174.8-65.9164000110.1L95 V96 G97 A102 G103 F190 V194 V195L95-I99 WeakPolarHBondContact O-CG1 3.3Å; L95-I99 PolarHBondContact O-N 3.35Å; L95-I99 VanDerWaalsContact O-N 3.12Å; V96-I99 PolarHBondContact O-N 2.82Å; G97-I99 PolarHBondContact O-N 3.48Å; I99-A102 PolarHBondContact O-N 2.95Å; I99-G103 PolarHBondContact O-N 3.48Å; I99-F190 HydrophobicContact CD1-CD1 4.27Å; I99-F190 HydrophobicContact CD1-CE1 3.75Å; I99-F190 HydrophobicContact CG1-CD1 4.36Å; I99-F190 HydrophobicContact CG1-CE1 4.32Å; I99-V194 HydrophobicContact CD1-CB 4.4Å; I99-V194 HydrophobicContact CD1-CG1 4.05Å; I99-V194 HydrophobicContact CD1-CG2 4.25Å; I99-V194 HydrophobicContact CG1-CB 4.1Å; I99-V194 HydrophobicContact CG1-CG1 4.08Å; I99-V194 HydrophobicContact CG1-CG2 4.28Å; I99-V194 HydrophobicContact CG2-CG1 4.27Å; I99-V195 HydrophobicContact CG2-CG2 4.2Å
100A98.9Very high98.8Very high30 Ų3033.8 Ų33.825%0.24822%0.216CC..Hα-helixtrans-61.1-46.317900000111.9F18 L22 V96 G97 G103 I104F18-A100 HydrophobicContact CE2-CB 4.16Å; F18-A100 HydrophobicContact CZ-CB 4.32Å; L22-A100 HydrophobicContact CD1-CB 3.82Å; L22-A100 HydrophobicContact CG-CB 4.21Å; V96-A100 WeakPolarHBondContact O-CB 3.2Å; V96-A100 PolarHBondContact O-N 3.2Å; G97-A100 PolarHBondContact O-N 2.96Å; A100-G103 PolarHBondContact O-N 3.14Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.45Å; A100-I104 PolarHBondContact O-N 3.45Å
101G98.9Very high98.7Very high0 Ų040.5 Ų40.50%025%0.251CS..Hα-helixtrans-62-44.7178.200000112.5L22 G97 A98 L105L22-G101 WeakPolarHBondContact O-CA 3.34Å; G97-G101 PolarHBondContact O-N 3.33Å; A98-G101 PolarHBondContact O-N 3.13Å; G101-L105 WeakPolarHBondContact O-CB 3.48Å; G101-L105 PolarHBondContact O-N 3.13Å
102A98.9Very high98.7Very high0 Ų044.8 Ų44.80%027%0.273CS..Hα-helixtrans-65.2-39.3174.500000112.3V25 L29 A98 I99 L105 Y106 L117 P192 V195V25-A102 HydrophobicContact CG1-CB 4.09Å; L29-A102 HydrophobicContact CD1-CB 3.83Å; A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 3.3Å; I99-A102 PolarHBondContact O-N 2.95Å; A102-L105 PolarHBondContact O-N 3.27Å; A102-Y106 WeakPolarHBondContact O-CB 3.33Å; A102-Y106 PolarHBondContact O-N 3.22Å; A102-L117 HydrophobicContact CB-CD2 4.18Å; A102-P192 HydrophobicContact CB-CB 4.43Å; A102-V195 HydrophobicContact CB-CB 4.4Å; A102-V195 HydrophobicContact CB-CG2 3.81Å
103G98.9Very high98.6Very high30 Ų3043.1 Ų43.131%0.30926%0.259SS..Hα-helixtrans-66.6-42.1178.800000112.6I99 A100 Y106 G107I99-G103 PolarHBondContact O-N 3.48Å; A100-G103 PolarHBondContact O-N 3.14Å; G103-Y106 WeakPolarHBondContact O-CB 3.34Å; G103-Y106 PolarHBondContact O-N 3.45Å; G103-G107 PolarHBondContact O-N 2.93Å
104I98.9Very high98.5Very high83 Ų8344.5 Ų44.543%0.42626%0.262SS..Hα-helixtrans-61.3-48.6172.5-66.6163.7000109.6L22 F26 A100 Y106 G107 V108L22-I104 HydrophobicContact CD1-CD1 4.16Å; L22-I104 HydrophobicContact CD2-CD1 4.12Å; L22-I104 HydrophobicContact CG-CD1 4.35Å; F26-I104 HydrophobicContact CD2-CB 4.38Å; F26-I104 HydrophobicContact CD2-CG2 3.96Å; F26-I104 HydrophobicContact CE2-CG2 3.86Å; A100-I104 VanDerWaalsContact O-CG1 3.26Å; A100-I104 WeakPolarHBondContact O-CG1 3.45Å; A100-I104 PolarHBondContact O-N 3.45Å; I104-Y106 VanDerWaalsContact C-N 3.31Å; I104-Y106 PolarHBondContact O-N 3.34Å; I104-G107 PolarHBondContact O-N 2.89Å; I104-G107 VanDerWaalsContact O-N 3.08Å; I104-V108 HydrophobicContact CG2-CG1 4.49Å; I104-V108 WeakPolarHBondContact O-CG2 3.28Å; I104-V108 PolarHBondContact O-N 2.89Å
105L98.9Very high98.4Very high7 Ų747 Ų474%0.03729%0.288CS..Hα-helixtrans-58.1-43177.3-179.364.3000112F26 L29 G30 L33 G101 A102 G107 V108 A109 L117F26-L105 HydrophobicContact CD2-CB 3.99Å; F26-L105 HydrophobicContact CE2-CB 4.31Å; F26-L105 HydrophobicContact CE2-CD1 4.27Å; L29-L105 HydrophobicContact CB-CD2 3.36Å; L29-L105 HydrophobicContact CD1-CD2 4.43Å; G30-L105 VanDerWaalsContact N-CD2 3.29Å; L33-L105 HydrophobicContact CD1-CD1 4.32Å; L33-L105 HydrophobicContact CD1-CD2 4.37Å; L33-L105 HydrophobicContact CD1-CG 4.49Å; G101-L105 WeakPolarHBondContact O-CB 3.48Å; G101-L105 PolarHBondContact O-N 3.13Å; A102-L105 PolarHBondContact O-N 3.27Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 3.33Å; L105-V108 HydrophobicContact CD1-CG2 4.32Å; L105-V108 PolarHBondContact O-N 3.36Å; L105-A109 HydrophobicContact CD1-CB 4.31Å; L105-A109 WeakPolarHBondContact O-CB 3.42Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-L117 HydrophobicContact CB-CD1 4.47Å; L105-L117 HydrophobicContact CD2-CD1 3.92Å; L105-L117 HydrophobicContact CG-CD1 3.98Å
106Y98.8Very high98.4Very high94 Ų9450.1 Ų50.137%0.36931%0.305SS..Hα-helixtrans-56.8-43.6175.5-179.3-81.3000111.5A102 G103 I104 R114 L117 V195 M196A102-Y106 WeakPolarHBondContact O-CB 3.33Å; A102-Y106 PolarHBondContact O-N 3.22Å; G103-Y106 WeakPolarHBondContact O-CB 3.34Å; G103-Y106 PolarHBondContact O-N 3.45Å; I104-Y106 VanDerWaalsContact C-N 3.31Å; I104-Y106 PolarHBondContact O-N 3.34Å; Y106-R114 HydrophobicContact CD2-CG 4.35Å; Y106-R114 PolarHBondContact O-NE 3.47Å; Y106-R114 VanDerWaalsContact O-NE 3.11Å; Y106-R114 PolarHBondContact O-NH2 3.43Å; Y106-R114 PolarHBondContact OH-NH1 3.28Å; Y106-L117 HydrophobicContact CD2-CD2 4.43Å; Y106-V195 HydrophobicContact CD2-CG1 3.95Å; Y106-V195 HydrophobicContact CG-CG1 4.01Å; Y106-M196 HydrophobicContact CD2-SD 3.65Å; Y106-M196 HydrophobicContact CE2-SD 3.67Å
107G98.6Very high98.3Very high59 Ų5946 Ų4661%0.60828%0.28SS*.Hα-helixtrans-67-36.6178.600000114G103 I104 L105G103-G107 PolarHBondContact O-N 2.93Å; I104-G107 PolarHBondContact O-N 2.89Å; I104-G107 VanDerWaalsContact O-N 3.08Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 3.33Å
108V98.7Very high98.3Very high96 Ų9647.1 Ų47.158%0.58229%0.289SS*.Hα-helixtrans-93.1-24.1-175.8-55.10000114.2F26 I104 L105F26-V108 HydrophobicContact CE2-CG2 3.86Å; F26-V108 HydrophobicContact CZ-CG2 4.3Å; I104-V108 HydrophobicContact CG2-CG1 4.49Å; I104-V108 WeakPolarHBondContact O-CG2 3.28Å; I104-V108 PolarHBondContact O-N 2.89Å; L105-V108 HydrophobicContact CD1-CG2 4.32Å; L105-V108 PolarHBondContact O-N 3.36Å
109A98.2Very high98.3Very high4 Ų448.5 Ų48.53%0.03330%0.296CS..SBendtrans-73.8130.3-178.400000110.9L33 L105 R114L33-A109 HydrophobicContact CD1-CB 3.89Å; L105-A109 HydrophobicContact CD1-CB 4.31Å; L105-A109 WeakPolarHBondContact O-CB 3.42Å; L105-A109 PolarHBondContact O-N 3.49Å; A109-R114 HydrophobicContact CB-CB 4.42Å; A109-R114 PolarHBondContact O-NE 3.14Å; A109-R114 PolarHBondContact O-NH2 2.89Å
110P97.9Very high98.3Very high60 Ų6046 Ų4639%0.3928%0.283SS..  trans-64.8149.7177.229.1-35000110.6W35 N112 A113 R114W35-P110 HydrophobicContact CZ3-CG 3.78Å; P110-N112 WeakPolarHBondContact CB-OD1 3.46Å; P110-N112 PolarHBondContact O-N 2.95Å; P110-N112 VanDerWaalsContact O-N 3.13Å; P110-A113 HydrophobicContact CG-CB 4.04Å; P110-A113 PolarHBondContact O-N 2.92Å; P110-R114 PolarHBondContact O-N 3.24Å
111L97.6Very high98.2Very high141 Ų14147.4 Ų47.474%0.73829%0.294SS*.Hα-helixtrans-56.4-34.7-172.7-68.8173.9000113.2A113L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.9Å
112N97.1Very high98.1Very high117 Ų11749.2 Ų49.263%0.62630%0.304SS*.Hα-helixtrans-73.2-16.118064.9-12.2000114.4P110P110-N112 WeakPolarHBondContact CB-OD1 3.46Å; P110-N112 PolarHBondContact O-N 2.95Å; P110-N112 VanDerWaalsContact O-N 3.13Å
113A97.6Very high97.9Very high4 Ų452.5 Ų52.53%0.03332%0.322CS..Hα-helixtrans-106.1-28.1176.400000112.8W35 P110 L111 G115W35-A113 HydrophobicContact CD2-CB 3.96Å; W35-A113 HydrophobicContact CE3-CB 3.45Å; W35-A113 VanDerWaalsContact CE3-CB 3.45Å; W35-A113 HydrophobicContact CH2-CB 4.29Å; W35-A113 HydrophobicContact CZ3-CB 3.65Å; P110-A113 HydrophobicContact CG-CB 4.04Å; P110-A113 PolarHBondContact O-N 2.92Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.9Å; A113-G115 VanDerWaalsContact C-N 3.35Å; A113-G115 PolarHBondContact O-N 3.39Å
114R97.6Very high97.5Very high40 Ų4058.9 Ų58.915%0.15135%0.349CS..Hα-helixtrans-53.6-46.2-171.8-170.4-176.8-61.6175.61.6113.3Y106 A109 P110 N116 L117Y106-R114 HydrophobicContact CD2-CG 4.35Å; Y106-R114 PolarHBondContact O-NE 3.47Å; Y106-R114 VanDerWaalsContact O-NE 3.11Å; Y106-R114 PolarHBondContact O-NH2 3.43Å; Y106-R114 PolarHBondContact OH-NH1 3.28Å; A109-R114 HydrophobicContact CB-CB 4.42Å; A109-R114 PolarHBondContact O-NE 3.14Å; A109-R114 PolarHBondContact O-NH2 2.89Å; P110-R114 PolarHBondContact O-N 3.24Å; R114-N116 PolarHBondContact O-N 3.37Å; R114-L117 HydrophobicContact CG-CD1 4.31Å; R114-L117 WeakPolarHBondContact O-CA 3.47Å; R114-L117 PolarHBondContact O-N 3.39Å
115G97.2Very high97.4Very high53 Ų5361.9 Ų61.955%0.54637%0.365SS..THydrogen-bonded Turntrans46.3-129.6178.600000113.1A113 L117 M196A113-G115 VanDerWaalsContact C-N 3.35Å; A113-G115 PolarHBondContact O-N 3.39Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 2.86Å; G115-M196 WeakPolarHBondContact O-CE 3.34Å
116N97.3Very high97.3Very high95 Ų9562.5 Ų62.551%0.50837%0.37SS..THydrogen-bonded Turntrans-89.216.2175.7-66.9-22.1000113.5R114 A118 I119 R198R114-N116 PolarHBondContact O-N 3.37Å; N116-A118 PolarHBondContact O-N 3.28Å; N116-I119 VanDerWaalsContact O-CD1 3.32Å; N116-I119 WeakPolarHBondContact O-CD1 3.13Å; N116-I119 WeakPolarHBondContact O-CG1 3.09Å; N116-I119 PolarHBondContact O-N 3.06Å; N116-R198 PolarHBondContact OD1-NH1 3.09Å
117L98.4Very high97.3Very high0 Ų062 Ų620%038%0.376CS..THydrogen-bonded Turntrans54.635.2179.2-157.370.3000114.3L29 A102 L105 Y106 R114 G115 I119 P192 V195 M196L29-L117 HydrophobicContact CD1-CG 4.49Å; A102-L117 HydrophobicContact CB-CD2 4.18Å; L105-L117 HydrophobicContact CB-CD1 4.47Å; L105-L117 HydrophobicContact CD2-CD1 3.92Å; L105-L117 HydrophobicContact CG-CD1 3.98Å; Y106-L117 HydrophobicContact CD2-CD2 4.43Å; R114-L117 HydrophobicContact CG-CD1 4.31Å; R114-L117 WeakPolarHBondContact O-CA 3.47Å; R114-L117 PolarHBondContact O-N 3.39Å; G115-L117 VanDerWaalsContact C-N 3.3Å; G115-L117 PolarHBondContact O-N 2.86Å; L117-I119 PolarHBondContact O-N 3.35Å; L117-I119 VanDerWaalsContact O-N 3.15Å; L117-P192 HydrophobicContact CB-CB 4.47Å; L117-P192 HydrophobicContact CD2-CB 4.2Å; L117-P192 HydrophobicContact CG-CB 4.39Å; L117-P192 WeakPolarHBondContact O-CB 2.98Å; L117-V195 HydrophobicContact CD2-CB 4.19Å; L117-V195 HydrophobicContact CD2-CG1 3.82Å; L117-M196 HydrophobicContact CB-CG 3.73Å; L117-M196 HydrophobicContact CB-SD 3.8Å; L117-M196 HydrophobicContact CD2-CG 4.06Å; L117-M196 HydrophobicContact CD2-SD 4.1Å
118A98.3Very high97.3Very high23 Ų2362.8 Ų62.819%0.1936%0.364CS..THydrogen-bonded Turntrans52.135.2179.800000115L29 A32 L33 N116 R188L29-A118 HydrophobicContact CB-CB 4.32Å; L29-A118 HydrophobicContact CD2-CB 3.86Å; A32-A118 HydrophobicContact CB-CB 3.91Å; L33-A118 HydrophobicContact CD2-CB 4.26Å; N116-A118 PolarHBondContact O-N 3.28Å; A118-R188 PolarHBondContact O-NH1 3.08Å
119I98.3Very high97.3Very high29 Ų2960.3 Ų60.315%0.14936%0.358CS..  trans-55.7137167.4-66.6164.1000109.9N116 L117 A121 P192 M196 R198N116-I119 VanDerWaalsContact O-CD1 3.32Å; N116-I119 WeakPolarHBondContact O-CD1 3.13Å; N116-I119 WeakPolarHBondContact O-CG1 3.09Å; N116-I119 PolarHBondContact O-N 3.06Å; L117-I119 PolarHBondContact O-N 3.35Å; L117-I119 VanDerWaalsContact O-N 3.15Å; I119-A121 PolarHBondContact O-N 2.88Å; I119-P192 HydrophobicContact CG1-CB 3.79Å; I119-P192 HydrophobicContact CG1-CG 4.23Å; I119-M196 HydrophobicContact CD1-CB 3.71Å; I119-M196 HydrophobicContact CD1-CG 3.87Å; I119-R198 HydrophobicContact CD1-CB 4.23Å
120N98.6Very high97.3Very high2 Ų265 Ų651%0.01138%0.379CS..  trans-60.5128.9171.4-72.990.8000111.2T180 G181 C182 S183 R188 S189 F206N120-T180 WeakPolarHBondContact CB-O 3.3Å; N120-T180 PolarHBondContact ND2-O 3.24Å; N120-G181 VanDerWaalsContact ND2-C 3.34Å; N120-G181 PolarHBondContact ND2-O 2.8Å; N120-C182 PolarHBondContact ND2-O 3.03Å; N120-C182 VanDerWaalsContact ND2-O 3.09Å; N120-S183 PolarHBondContact ND2-N 3.42Å; N120-R188 WeakPolarHBondContact OD1-CD 3.49Å; N120-R188 PolarHBondContact OD1-NE 3Å; N120-R188 PolarHBondContact OD1-NH1 3.49Å; N120-R188 VanDerWaalsContact OD1-NH1 3.15Å; N120-S189 PolarHBondContact OD1-OG 2.95Å; N120-F206 HydrophobicContact CB-CD1 4.28Å; N120-F206 HydrophobicContact CB-CD2 3.88Å; N120-F206 HydrophobicContact CB-CE1 4.03Å; N120-F206 HydrophobicContact CB-CE2 3.58Å; N120-F206 HydrophobicContact CB-CG 4.23Å; N120-F206 HydrophobicContact CB-CZ 3.67Å; N120-F206 WeakPolarHBondContact O-CE2 3.32Å
121A96.8Very high97.3Very high58 Ų5862.1 Ų62.148%0.47936%0.36SS..  trans-137.9136.6-178.300000108.8I119 T180I119-A121 PolarHBondContact O-N 2.88Å; A121-T180 PolarHBondContact N-O 2.99Å; A121-T180 CarbonylContact O-C 3.14Å; A121-T180 VanDerWaalsContact O-CA 3.29Å; A121-T180 WeakPolarHBondContact O-CA 3.37Å
122L96.7Very high97.4Very high39 Ų3956.7 Ų56.720%0.20433%0.332CS..  trans-64.4142.2172-114.568.2000110T126 Q128 A131 F179 T180 A202 F206L122-T126 WeakPolarHBondContact CD2-O 3.29Å; L122-Q128 HydrophobicContact CD2-CG 4.04Å; L122-A131 HydrophobicContact CD1-CB 3.46Å; L122-A131 VanDerWaalsContact CD1-CB 3.46Å; L122-A131 HydrophobicContact CD2-CB 4.03Å; L122-A131 HydrophobicContact CG-CB 3.82Å; L122-F179 WeakPolarHBondContact CA-O 3.37Å; L122-T180 HydrophobicContact CD1-CG2 4.06Å; L122-A202 HydrophobicContact CD1-CB 3.95Å; L122-A202 HydrophobicContact CD2-CB 4.2Å; L122-F206 HydrophobicContact CD1-CE1 4.15Å; L122-F206 HydrophobicContact CD1-CZ 4.17Å
123N95.4Very high97.5Very high69 Ų6955.1 Ų55.137%0.36933%0.326SS..  trans-63.6136.7161.8-172.5-39.3000109.5N125 T126 Y178 F179N123-N125 PolarHBondContact O-N 2.84Å; N123-N125 VanDerWaalsContact O-N 3.09Å; N123-N125 PolarHBondContact OD1-N 3.02Å; N123-T126 PolarHBondContact O-N 3.07Å; N123-Y178 WeakPolarHBondContact CB-O 3.21Å; N123-Y178 PolarHBondContact ND2-O 3.14Å; N123-F179 PolarHBondContact N-O 2.83Å
124N90.4Very high97.5Very high163 Ų16356 Ų5687%0.87233%0.331SS*.THydrogen-bonded Turntrans-58.9-23.7-179.4-67.9-14.4000113.2
125N96.7Very high97.6Very high146 Ų14654.1 Ų54.178%0.78132%0.324SS*.THydrogen-bonded Turntrans-94.410179.6-6563.7000112.7N123N123-N125 PolarHBondContact O-N 2.84Å; N123-N125 VanDerWaalsContact O-N 3.09Å; N123-N125 PolarHBondContact OD1-N 3.02Å
126T97.4Very high97.7Very high20 Ų2053.5 Ų53.512%0.12331%0.308CS..SBendtrans-121.2130.2-179.4-62.40000110L122 N123 Q130 A131 F179L122-T126 WeakPolarHBondContact CD2-O 3.29Å; N123-T126 PolarHBondContact O-N 3.07Å; T126-Q130 HydrophobicContact CG2-CB 3.77Å; T126-A131 HydrophobicContact CG2-CB 4.01Å; T126-F179 HydrophobicContact CG2-CD1 3.94Å
127T98.3Very high97.7Very high83 Ų8353.7 Ų53.751%0.50931%0.308SS..  trans-77.4160.2174.772.30000111.4G129 Q130 A131T127-G129 PolarHBondContact O-N 3Å; T127-Q130 PolarHBondContact O-N 3.3Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.34Å; T127-Q130 PolarHBondContact OG1-N 2.89Å; T127-Q130 PolarHBondContact OG1-OE1 2.76Å; T127-A131 PolarHBondContact O-N 3.49Å
128Q98.5Very high97.8Very high77 Ų7754.2 Ų54.236%0.3631%0.311SS..Hα-helixtrans-59-37175.7-61.5-172.114.600112.3L122 A131 M132 A202 W204 V205L122-Q128 HydrophobicContact CD2-CG 4.04Å; Q128-A131 PolarHBondContact O-N 2.92Å; Q128-M132 VanDerWaalsContact O-CB 3.24Å; Q128-M132 WeakPolarHBondContact O-CB 3.47Å; Q128-M132 PolarHBondContact O-N 3.02Å; Q128-A202 HydrophobicContact CG-CB 3.89Å; Q128-W204 HydrophobicContact CB-CZ2 4.1Å; Q128-V205 HydrophobicContact CB-CG2 4.17Å
129G98.4Very high97.8Very high43 Ų4353.1 Ų53.144%0.44330%0.302SS..Hα-helixtrans-65.7-41.917600000112.9T127 M132 V133T127-G129 PolarHBondContact O-N 3Å; G129-M132 WeakPolarHBondContact O-CB 3.17Å; G129-M132 PolarHBondContact O-N 3.43Å; G129-V133 WeakPolarHBondContact O-CG2 3.26Å; G129-V133 PolarHBondContact O-N 3Å; G129-V133 VanDerWaalsContact O-N 3.08Å
130Q98.7Very high97.8Very high102 Ų10254.4 Ų54.448%0.47731%0.306SS..Hα-helixtrans-63.3-47.3174.7-74.3169.6-36.300111.4T126 T127 M132 V133 V134T126-Q130 HydrophobicContact CG2-CB 3.77Å; T127-Q130 PolarHBondContact O-N 3.3Å; T127-Q130 WeakPolarHBondContact OG1-CG 3.34Å; T127-Q130 PolarHBondContact OG1-N 2.89Å; T127-Q130 PolarHBondContact OG1-OE1 2.76Å; Q130-M132 VanDerWaalsContact C-N 3.3Å; Q130-M132 PolarHBondContact O-N 2.95Å; Q130-V133 PolarHBondContact O-N 2.98Å; Q130-V134 WeakPolarHBondContact O-CG2 3.45Å; Q130-V134 PolarHBondContact O-N 3.29Å
131A98.6Very high97.8Very high0 Ų056.7 Ų56.70%032%0.317CS..Hα-helixtrans-60.7-39.2177.200000112.5L122 T126 T127 Q128 V134 E135 T180 V205L122-A131 HydrophobicContact CD1-CB 3.46Å; L122-A131 VanDerWaalsContact CD1-CB 3.46Å; L122-A131 HydrophobicContact CD2-CB 4.03Å; L122-A131 HydrophobicContact CG-CB 3.82Å; T126-A131 HydrophobicContact CG2-CB 4.01Å; T127-A131 PolarHBondContact O-N 3.49Å; Q128-A131 PolarHBondContact O-N 2.92Å; A131-V134 PolarHBondContact O-N 3.41Å; A131-E135 WeakPolarHBondContact O-CB 3.45Å; A131-E135 WeakPolarHBondContact O-CG 3.4Å; A131-E135 PolarHBondContact O-N 2.96Å; A131-T180 HydrophobicContact CB-CG2 3.64Å; A131-V205 HydrophobicContact CB-CG1 3.98Å
132M98.8Very high97.9Very high27 Ų2754.3 Ų54.313%0.13330%0.296CS..Hα-helixtrans-59.7-47.7174.5170.959.7-157.400112.3Q128 G129 Q130 V134 E135 L136 W204 V205 V208 G209 V212Q128-M132 VanDerWaalsContact O-CB 3.24Å; Q128-M132 WeakPolarHBondContact O-CB 3.47Å; Q128-M132 PolarHBondContact O-N 3.02Å; G129-M132 WeakPolarHBondContact O-CB 3.17Å; G129-M132 PolarHBondContact O-N 3.43Å; Q130-M132 VanDerWaalsContact C-N 3.3Å; Q130-M132 PolarHBondContact O-N 2.95Å; M132-V134 VanDerWaalsContact C-N 3.34Å; M132-V134 PolarHBondContact O-N 2.85Å; M132-E135 PolarHBondContact O-N 3.33Å; M132-L136 HydrophobicContact CE-CD1 4.31Å; M132-L136 WeakPolarHBondContact O-CB 3.25Å; M132-L136 PolarHBondContact O-N 3.44Å; M132-W204 HydrophobicContact CB-CH2 4.41Å; M132-W204 HydrophobicContact CG-CH2 4.45Å; M132-W204 HydrophobicContact CG-CZ3 4.39Å; M132-W204 HydrophobicContact SD-CZ3 4.24Å; M132-V205 HydrophobicContact CB-CG1 4.15Å; M132-V208 HydrophobicContact CE-CB 4.4Å; M132-V208 HydrophobicContact CE-CG1 3.74Å; M132-V208 HydrophobicContact SD-CB 4.14Å; M132-V208 HydrophobicContact SD-CG1 4.04Å; M132-G209 VanDerWaalsContact CE-CA 3.43Å; M132-G209 WeakPolarHBondContact SD-CA 3.47Å; M132-G209 PolarHBondContact SD-N 3.42Å; M132-V212 HydrophobicContact CE-CB 4.13Å; M132-V212 HydrophobicContact CE-CG2 4.21Å
133V98.9Very high98.1Very high84 Ų8452.4 Ų52.451%0.50929%0.286SS..Hα-helixtrans-64.1-40.5177.5172.50000111.3G129 Q130 L136 I137G129-V133 WeakPolarHBondContact O-CG2 3.26Å; G129-V133 PolarHBondContact O-N 3Å; G129-V133 VanDerWaalsContact O-N 3.08Å; Q130-V133 PolarHBondContact O-N 2.98Å; V133-L136 WeakPolarHBondContact O-CB 3.35Å; V133-L136 PolarHBondContact O-N 2.94Å; V133-I137 HydrophobicContact CG1-CD1 4.08Å; V133-I137 WeakPolarHBondContact O-CG1 3.4Å; V133-I137 PolarHBondContact O-N 2.68Å; V133-I137 VanDerWaalsContact O-N 3.1Å
134V98.8Very high98.2Very high24 Ų2451.1 Ų51.115%0.14528%0.279CS..Hα-helixtrans-60.5-56.6175.4170.30000110.1Q130 A131 M132 L136 I137 L138 F179Q130-V134 WeakPolarHBondContact O-CG2 3.45Å; Q130-V134 PolarHBondContact O-N 3.29Å; A131-V134 PolarHBondContact O-N 3.41Å; M132-V134 VanDerWaalsContact C-N 3.34Å; M132-V134 PolarHBondContact O-N 2.85Å; V134-L136 PolarHBondContact O-N 3.35Å; V134-I137 PolarHBondContact O-N 3.3Å; V134-L138 HydrophobicContact CG1-CD1 3.75Å; V134-L138 HydrophobicContact CG1-CD2 4.5Å; V134-L138 HydrophobicContact CG1-CG 4.01Å; V134-L138 VanDerWaalsContact O-CG 3.27Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.3Å; V134-F179 HydrophobicContact CG1-CB 4.21Å; V134-F179 HydrophobicContact CG1-CD2 4.1Å; V134-F179 HydrophobicContact CG1-CG 4.17Å; V134-F179 HydrophobicContact CG2-CD1 3.98Å; V134-F179 HydrophobicContact CG2-CD2 4.28Å; V134-F179 HydrophobicContact CG2-CE1 4.18Å; V134-F179 HydrophobicContact CG2-CE2 4.48Å; V134-F179 HydrophobicContact CG2-CG 4.02Å; V134-F179 HydrophobicContact CG2-CZ 4.43Å
135E98.9Very high98.6Very high0 Ų044.8 Ų44.80%025%0.247CC..Hα-helixtrans-57.8-33.7-179.5-73.5-66.9170.500113.7A131 M132 T139 T180 S183 M184 V205 P210A131-E135 WeakPolarHBondContact O-CB 3.45Å; A131-E135 WeakPolarHBondContact O-CG 3.4Å; A131-E135 PolarHBondContact O-N 2.96Å; M132-E135 PolarHBondContact O-N 3.33Å; E135-T139 WeakPolarHBondContact O-CB 3.42Å; E135-T139 PolarHBondContact O-N 3.5Å; E135-T139 VanDerWaalsContact O-N 3.09Å; E135-T139 PolarHBondContact O-OG1 3.45Å; E135-T180 HydrophobicContact CG-CG2 4.11Å; E135-T180 WeakPolarHBondContact OE1-CB 3.28Å; E135-T180 PolarHBondContact OE1-OG1 2.92Å; E135-S183 WeakPolarHBondContact OE1-CB 3.43Å; E135-S183 PolarHBondContact OE1-N 3.48Å; E135-S183 WeakPolarHBondContact OE2-CB 3.16Å; E135-S183 PolarHBondContact OE2-N 3.06Å; E135-M184 PolarHBondContact OE2-N 3.23Å; E135-V205 HydrophobicContact CG-CG1 4.31Å; E135-P210 HydrophobicContact CB-CG 4.43Å
136L98.9Very high98.7Very high39 Ų3938.9 Ų38.920%0.20422%0.216CC..Hα-helixtrans-59.4-53.6170.9-177.7164.8000111M132 V133 V134 L138 T139 F140 G209 V212 G213 L216M132-L136 HydrophobicContact CE-CD1 4.31Å; M132-L136 WeakPolarHBondContact O-CB 3.25Å; M132-L136 PolarHBondContact O-N 3.44Å; V133-L136 WeakPolarHBondContact O-CB 3.35Å; V133-L136 PolarHBondContact O-N 2.94Å; V134-L136 PolarHBondContact O-N 3.35Å; L136-L138 PolarHBondContact O-N 2.93Å; L136-T139 PolarHBondContact O-N 3.07Å; L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 PolarHBondContact O-N 3Å; L136-G209 WeakPolarHBondContact CA-O 3.36Å; L136-V212 HydrophobicContact CD1-CB 4.42Å; L136-V212 HydrophobicContact CD1-CG1 3.65Å; L136-V212 HydrophobicContact CG-CG1 4.25Å; L136-G213 WeakPolarHBondContact O-CA 3.42Å; L136-L216 HydrophobicContact CD1-CD1 4.23Å; L136-L216 HydrophobicContact CD2-CD1 4.29Å; L136-L216 HydrophobicContact CG-CD1 4.47Å
137I98.9Very high98.8Very high100 Ų10038 Ų3851%0.51321%0.21SC..Hα-helixtrans-63.6-44.4-178.2-67.5168.8000111.2V133 V134 T139 F140 Q141V133-I137 HydrophobicContact CG1-CD1 4.08Å; V133-I137 WeakPolarHBondContact O-CG1 3.4Å; V133-I137 PolarHBondContact O-N 2.68Å; V133-I137 VanDerWaalsContact O-N 3.1Å; V134-I137 PolarHBondContact O-N 3.3Å; I137-T139 VanDerWaalsContact C-N 3.3Å; I137-T139 PolarHBondContact O-N 3.29Å; I137-F140 PolarHBondContact O-N 3Å; I137-Q141 PolarHBondContact O-N 3.3Å; I137-Q141 VanDerWaalsContact O-N 3.08Å
138L98.9Very high98.8Very high11 Ų1135.2 Ų35.26%0.05820%0.195CC..Hα-helixtrans-58.6-45.3179.7-59.4178.1000110.7V134 L136 Q141 L142 V175 G176 M184V134-L138 HydrophobicContact CG1-CD1 3.75Å; V134-L138 HydrophobicContact CG1-CD2 4.5Å; V134-L138 HydrophobicContact CG1-CG 4.01Å; V134-L138 VanDerWaalsContact O-CG 3.27Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 3.3Å; L136-L138 PolarHBondContact O-N 2.93Å; L138-Q141 WeakPolarHBondContact O-CG 3.49Å; L138-Q141 PolarHBondContact O-OE1 2.81Å; L138-L142 PolarHBondContact O-N 3.28Å; L138-V175 HydrophobicContact CD2-CB 4.33Å; L138-G176 VanDerWaalsContact CD1-CA 3.49Å; L138-M184 HydrophobicContact CB-CE 4.26Å; L138-M184 HydrophobicContact CB-CG 3.74Å; L138-M184 HydrophobicContact CB-SD 4.28Å; L138-M184 HydrophobicContact CD1-CG 4.35Å; L138-M184 VanDerWaalsContact O-CE 3.25Å; L138-M184 WeakPolarHBondContact O-CE 3.49Å
139T98.9Very high98.8Very high0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-79-31.3-177.2-41.80000112.2A71 E135 L136 I137 L142 A143 M184 P210 A214A71-T139 HydrophobicContact CB-CG2 4.15Å; E135-T139 WeakPolarHBondContact O-CB 3.42Å; E135-T139 PolarHBondContact O-N 3.5Å; E135-T139 VanDerWaalsContact O-N 3.09Å; E135-T139 PolarHBondContact O-OG1 3.45Å; L136-T139 PolarHBondContact O-N 3.07Å; I137-T139 VanDerWaalsContact C-N 3.3Å; I137-T139 PolarHBondContact O-N 3.29Å; T139-L142 PolarHBondContact O-N 2.97Å; T139-A143 WeakPolarHBondContact O-CB 3.43Å; T139-A143 PolarHBondContact O-N 3.03Å; T139-M184 WeakPolarHBondContact CG2-O 3.29Å; T139-M184 WeakPolarHBondContact OG1-CA 3.42Å; T139-P210 HydrophobicContact CG2-CB 3.97Å; T139-P210 WeakPolarHBondContact CG2-O 3.44Å; T139-P210 VanDerWaalsContact OG1-CA 3.27Å; T139-P210 WeakPolarHBondContact OG1-CA 3.44Å; T139-P210 WeakPolarHBondContact OG1-CB 3.38Å; T139-A214 HydrophobicContact CG2-CB 4.01Å
140F98.9Very high98.7Very high56 Ų5634.3 Ų34.325%0.24619%0.187CC..Hα-helixtrans-58.3-49.2173.8175.7-90.8000111.6L136 I137 L142 A143 L144 G213 L216 A217 L220L136-F140 WeakPolarHBondContact O-CB 3.47Å; L136-F140 PolarHBondContact O-N 3Å; I137-F140 PolarHBondContact O-N 3Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-L142 PolarHBondContact O-N 3.31Å; F140-A143 PolarHBondContact O-N 3.3Å; F140-L144 HydrophobicContact CD1-CD1 4.06Å; F140-L144 HydrophobicContact CE1-CD1 3.33Å; F140-L144 HydrophobicContact CE1-CG 4.14Å; F140-L144 HydrophobicContact CE2-CD1 4.47Å; F140-L144 HydrophobicContact CZ-CD1 3.58Å; F140-L144 HydrophobicContact CZ-CG 4.2Å; F140-L144 PolarHBondContact O-N 3.13Å; F140-G213 WeakPolarHBondContact CA-O 3.19Å; F140-G213 WeakPolarHBondContact CD2-O 3.34Å; F140-L216 HydrophobicContact CD2-CB 3.98Å; F140-L216 HydrophobicContact CE2-CB 4.18Å; F140-A217 HydrophobicContact CD2-CB 3.67Å; F140-A217 HydrophobicContact CE2-CB 3.94Å; F140-A217 HydrophobicContact CG-CB 4.23Å; F140-A217 WeakPolarHBondContact O-CB 3.42Å; F140-L220 HydrophobicContact CE2-CD2 4.31Å; F140-L220 HydrophobicContact CZ-CD2 3.7Å
141Q98.9Very high98.7Very high49 Ų4930.6 Ų30.623%0.22917%0.171CC..Hα-helixtrans-66.4-36.1-179.374.168.1-153.400111.8I137 L138 C145 S168I137-Q141 PolarHBondContact O-N 3.3Å; I137-Q141 VanDerWaalsContact O-N 3.08Å; L138-Q141 WeakPolarHBondContact O-CG 3.49Å; L138-Q141 PolarHBondContact O-OE1 2.81Å; Q141-C145 WeakPolarHBondContact O-CB 3.49Å; Q141-C145 PolarHBondContact O-N 3.22Å; Q141-S168 PolarHBondContact NE2-OG 2.91Å; Q141-S168 PolarHBondContact OE1-O 3.36Å; Q141-S168 VanDerWaalsContact OE1-O 3.11Å; Q141-S168 PolarHBondContact OE1-OG 3.34Å
142L98.9Very high98.4Very high8 Ų834.6 Ų34.64%0.04220%0.199CC..Hα-helixtrans-63.5-48.9175.6172.462.9000111I72 L138 T139 F140 L144 C145 I146 I165 S168 V169 M184I72-L142 HydrophobicContact CD1-CD2 4.49Å; I72-L142 HydrophobicContact CD1-CG 4.46Å; L138-L142 PolarHBondContact O-N 3.28Å; T139-L142 PolarHBondContact O-N 2.97Å; F140-L142 VanDerWaalsContact C-N 3.31Å; F140-L142 PolarHBondContact O-N 3.31Å; L142-L144 PolarHBondContact O-N 3.19Å; L142-C145 WeakPolarHBondContact O-CB 3.42Å; L142-C145 PolarHBondContact O-N 3.31Å; L142-I146 HydrophobicContact CD1-CD1 3.89Å; L142-I146 HydrophobicContact CD1-CG1 4.19Å; L142-I146 HydrophobicContact CG-CD1 3.85Å; L142-I146 WeakPolarHBondContact O-CG1 3.45Å; L142-I146 PolarHBondContact O-N 3.1Å; L142-I165 HydrophobicContact CD1-CG2 4.18Å; L142-S168 WeakPolarHBondContact CA-OG 3.41Å; L142-V169 HydrophobicContact CD1-CG2 3.65Å; L142-V169 HydrophobicContact CD2-CG2 3.97Å; L142-V169 HydrophobicContact CG-CG2 4.46Å; L142-M184 HydrophobicContact CB-CE 3.74Å; L142-M184 HydrophobicContact CD2-CE 3.82Å; L142-M184 HydrophobicContact CG-CE 4.32Å
143A98.9Very high98.1Very high0 Ų038.2 Ų38.20%021%0.211CC..Hα-helixtrans-61.1-44.4179.800000111.6I72 T139 F140 C145 I146 F147 A214 A217I72-A143 HydrophobicContact CD1-CB 3.81Å; T139-A143 WeakPolarHBondContact O-CB 3.43Å; T139-A143 PolarHBondContact O-N 3.03Å; F140-A143 PolarHBondContact O-N 3.3Å; A143-C145 VanDerWaalsContact C-N 3.34Å; A143-C145 PolarHBondContact O-N 2.87Å; A143-I146 PolarHBondContact O-N 3Å; A143-F147 HydrophobicContact CB-CE2 3.79Å; A143-F147 HydrophobicContact CB-CZ 3.91Å; A143-F147 WeakPolarHBondContact O-CD2 3.39Å; A143-F147 WeakPolarHBondContact O-CE2 3.17Å; A143-F147 WeakPolarHBondContact O-CG 3.4Å; A143-F147 PolarHBondContact O-N 3.36Å; A143-A214 HydrophobicContact CB-CB 4.1Å; A143-A217 HydrophobicContact CB-CB 3.54Å
144L98.8Very high97.8Very high42 Ų4239.5 Ų39.522%0.2221%0.207CC..Hα-helixtrans-58.9-43.3173.3-81.2-175.6000112.7F140 L142 F147 A148 A217 L220 Y221F140-L144 HydrophobicContact CD1-CD1 4.06Å; F140-L144 HydrophobicContact CE1-CD1 3.33Å; F140-L144 HydrophobicContact CE1-CG 4.14Å; F140-L144 HydrophobicContact CE2-CD1 4.47Å; F140-L144 HydrophobicContact CZ-CD1 3.58Å; F140-L144 HydrophobicContact CZ-CG 4.2Å; F140-L144 PolarHBondContact O-N 3.13Å; L142-L144 PolarHBondContact O-N 3.19Å; L144-F147 PolarHBondContact O-N 3.3Å; L144-A148 VanDerWaalsContact O-CB 3.29Å; L144-A148 WeakPolarHBondContact O-CB 3.48Å; L144-A148 PolarHBondContact O-N 3.11Å; L144-A217 HydrophobicContact CD2-CB 4.12Å; L144-A217 HydrophobicContact CG-CB 3.86Å; L144-L220 HydrophobicContact CD1-CD2 4.3Å; L144-L220 HydrophobicContact CD2-CD2 4.31Å; L144-Y221 HydrophobicContact CD2-CD2 4.24Å
145C98.9Very high97.6Very high30 Ų3044.5 Ų44.520%0.20324%0.237CC..Hα-helixtrans-61.4-45.6176.7-177.90000111.2Q141 L142 A143 S149Q141-C145 WeakPolarHBondContact O-CB 3.49Å; Q141-C145 PolarHBondContact O-N 3.22Å; L142-C145 WeakPolarHBondContact O-CB 3.42Å; L142-C145 PolarHBondContact O-N 3.31Å; A143-C145 VanDerWaalsContact C-N 3.34Å; A143-C145 PolarHBondContact O-N 2.87Å; C145-S149 WeakPolarHBondContact O-CB 3.18Å; C145-S149 PolarHBondContact O-N 3.47Å; C145-S149 PolarHBondContact O-OG 2.92Å; C145-S149 VanDerWaalsContact O-OG 3.06Å
146I98.8Very high97.4Very high22 Ų2247.8 Ų47.811%0.11326%0.26CS..Hα-helixtrans-57.7-56177.1-69.5166.2000110I72 L142 A143 A148 S149 T150 I165I72-I146 HydrophobicContact CD1-CD1 3.74Å; I72-I146 HydrophobicContact CG1-CD1 3.83Å; I72-I146 HydrophobicContact CG2-CD1 4.01Å; L142-I146 HydrophobicContact CD1-CD1 3.89Å; L142-I146 HydrophobicContact CD1-CG1 4.19Å; L142-I146 HydrophobicContact CG-CD1 3.85Å; L142-I146 WeakPolarHBondContact O-CG1 3.45Å; L142-I146 PolarHBondContact O-N 3.1Å; A143-I146 PolarHBondContact O-N 3Å; I146-A148 VanDerWaalsContact C-N 3.35Å; I146-A148 PolarHBondContact O-N 2.91Å; I146-S149 PolarHBondContact O-N 3.38Å; I146-T150 HydrophobicContact CG2-CG2 4.48Å; I146-T150 WeakPolarHBondContact O-CG2 3.31Å; I146-T150 PolarHBondContact O-N 3.08Å; I146-T150 PolarHBondContact O-OG1 2.9Å; I146-I165 HydrophobicContact CB-CD1 4.44Å; I146-I165 HydrophobicContact CD1-CG2 4.24Å; I146-I165 HydrophobicContact CG1-CB 4.44Å; I146-I165 HydrophobicContact CG1-CD1 3.99Å; I146-I165 HydrophobicContact CG1-CG1 3.82Å; I146-I165 HydrophobicContact CG1-CG2 3.76Å
147F98.7Very high97.1Very high0 Ų051.9 Ų51.90%029%0.289CS..Hα-helixtrans-60.1-45.4-175.5-52.5-32.2000111.6A75 L76 A143 L144 S149 T150 D151 A217 A218 Y221 F222A75-F147 HydrophobicContact CB-CZ 3.93Å; L76-F147 HydrophobicContact CD2-CD1 3.9Å; L76-F147 HydrophobicContact CD2-CE1 3.57Å; L76-F147 HydrophobicContact CG-CE1 3.89Å; A143-F147 HydrophobicContact CB-CE2 3.79Å; A143-F147 HydrophobicContact CB-CZ 3.91Å; A143-F147 WeakPolarHBondContact O-CD2 3.39Å; A143-F147 WeakPolarHBondContact O-CE2 3.17Å; A143-F147 WeakPolarHBondContact O-CG 3.4Å; A143-F147 PolarHBondContact O-N 3.36Å; L144-F147 PolarHBondContact O-N 3.3Å; F147-S149 VanDerWaalsContact C-N 3.26Å; F147-S149 PolarHBondContact O-N 3.39Å; F147-T150 PolarHBondContact O-N 3.45Å; F147-D151 WeakPolarHBondContact O-CB 3.49Å; F147-D151 PolarHBondContact O-N 2.89Å; F147-A217 HydrophobicContact CE2-CB 4.09Å; F147-A218 HydrophobicContact CE2-CB 3.8Å; F147-A218 HydrophobicContact CZ-CB 4.02Å; F147-Y221 HydrophobicContact CB-CD1 3.56Å; F147-Y221 HydrophobicContact CB-CD2 4.12Å; F147-Y221 HydrophobicContact CB-CE1 3.79Å; F147-Y221 HydrophobicContact CB-CE2 4.35Å; F147-Y221 HydrophobicContact CB-CG 3.74Å; F147-Y221 HydrophobicContact CD2-CG 4.25Å; F147-Y221 HydrophobicContact CG-CD1 4.36Å; F147-Y221 HydrophobicContact CG-CG 4.44Å; F147-F222 HydrophobicContact CB-CE2 4.3Å; F147-F222 HydrophobicContact CB-CZ 3.92Å; F147-F222 AromaticContact CD1-CE2 3.68Å; F147-F222 HydrophobicContact CD1-CE2 3.68Å; F147-F222 AromaticContact CD1-CZ 3.65Å; F147-F222 HydrophobicContact CD1-CZ 3.65Å; F147-F222 AromaticContact CD2-CE2 3.77Å; F147-F222 HydrophobicContact CD2-CE2 3.77Å; F147-F222 HydrophobicContact CD2-CZ 4.25Å; F147-F222 AromaticContact CE1-CE2 3.91Å; F147-F222 HydrophobicContact CE1-CE2 3.91Å; F147-F222 HydrophobicContact CE1-CZ 4.26Å; F147-F222 AromaticContact CE2-CE2 3.99Å; F147-F222 HydrophobicContact CE2-CE2 3.99Å; F147-F222 AromaticContact CG-CE2 3.63Å; F147-F222 HydrophobicContact CG-CE2 3.63Å; F147-F222 AromaticContact CG-CZ 3.66Å; F147-F222 HydrophobicContact CG-CZ 3.66Å; F147-F222 HydrophobicContact CZ-CE2 4.05Å
148A98.5Very high96.9Very high25 Ų2549.9 Ų49.921%0.20728%0.281CS..Hα-helixtrans-66.4-25.4178.400000114.3L144 I146 R154 Y221L144-A148 VanDerWaalsContact O-CB 3.29Å; L144-A148 WeakPolarHBondContact O-CB 3.48Å; L144-A148 PolarHBondContact O-N 3.11Å; I146-A148 VanDerWaalsContact C-N 3.35Å; I146-A148 PolarHBondContact O-N 2.91Å; A148-R154 WeakPolarHBondContact O-CD 3.34Å; A148-R154 PolarHBondContact O-NH1 3.38Å; A148-Y221 WeakPolarHBondContact CA-OH 3.16Å; A148-Y221 HydrophobicContact CB-CE2 3.91Å
149S98.3Very high96.8Very high17 Ų1752.7 Ų52.712%0.11931%0.313CS..Hα-helixtrans-89.4-20.2178.5-720000113.3C145 I146 F147 V158C145-S149 WeakPolarHBondContact O-CB 3.18Å; C145-S149 PolarHBondContact O-N 3.47Å; C145-S149 PolarHBondContact O-OG 2.92Å; C145-S149 VanDerWaalsContact O-OG 3.06Å; I146-S149 PolarHBondContact O-N 3.38Å; F147-S149 VanDerWaalsContact C-N 3.26Å; F147-S149 PolarHBondContact O-N 3.39Å; S149-V158 WeakPolarHBondContact O-CG2 3.27Å
150T97.6Very high96.7Very high84 Ų8455 Ų5552%0.51533%0.329SS..Hα-helixtrans-110.8-0.8-178.963.70000113.7I146 F147 S152 I165I146-T150 HydrophobicContact CG2-CG2 4.48Å; I146-T150 WeakPolarHBondContact O-CG2 3.31Å; I146-T150 PolarHBondContact O-N 3.08Å; I146-T150 PolarHBondContact O-OG1 2.9Å; F147-T150 PolarHBondContact O-N 3.45Å; T150-S152 PolarHBondContact O-N 3.46Å; T150-I165 HydrophobicContact CG2-CD1 4.4Å
151D97.1Very high96.7Very high25 Ų2554.3 Ų54.313%0.13433%0.33CS..  trans-70.3116.8177.1-168.6-19.8000111.3F147 R153 R154 Y221F147-D151 WeakPolarHBondContact O-CB 3.49Å; F147-D151 PolarHBondContact O-N 2.89Å; D151-R153 PolarHBondContact O-N 3.43Å; D151-R153 WeakPolarHBondContact OD1-CB 3.26Å; D151-R153 VanDerWaalsContact OD1-CG 3.3Å; D151-R153 WeakPolarHBondContact OD1-CG 3.43Å; D151-R153 IonicContact OD1-CZ 2.79Å; D151-R153 PolarHBondContact OD1-N 3.32Å; D151-R153 IonicContact OD1-NE 3.84Å; D151-R153 PolarHBondContact OD1-NE 2.86Å; D151-R153 IonicContact OD1-NH2 2.93Å; D151-R153 IonicContact OD2-CZ 3.09Å; D151-R153 IonicContact OD2-NE 3.21Å; D151-R153 PolarHBondContact OD2-NE 3.31Å; D151-R153 IonicContact OD2-NH2 2.99Å; D151-R153 PolarHBondContact OD2-NH2 3.26Å; D151-R154 WeakPolarHBondContact O-CB 3.31Å; D151-R154 PolarHBondContact O-N 3.25Å; D151-Y221 HydrophobicContact CB-CE1 4.22Å; D151-Y221 VanDerWaalsContact CB-OH 3.26Å; D151-Y221 WeakPolarHBondContact CB-OH 3.37Å; D151-Y221 WeakPolarHBondContact OD2-CE1 3.15Å; D151-Y221 PolarHBondContact OD2-OH 3.2Å
152S93.3Very high96.7Very high83 Ų8352.3 Ų52.358%0.5832%0.322SS*.THydrogen-bonded Turntrans-65.5-15.6178.254.90000114.3T150T150-S152 PolarHBondContact O-N 3.46Å
153R93.1Very high96.7Very high103 Ų10356.2 Ų56.239%0.38934%0.343SS..THydrogen-bonded Turntrans-82.9-15.5-179.7-57.8171-66.7179.50.2112.7D151 T155 F226 P227D151-R153 PolarHBondContact O-N 3.43Å; D151-R153 WeakPolarHBondContact OD1-CB 3.26Å; D151-R153 VanDerWaalsContact OD1-CG 3.3Å; D151-R153 WeakPolarHBondContact OD1-CG 3.43Å; D151-R153 IonicContact OD1-CZ 2.79Å; D151-R153 PolarHBondContact OD1-N 3.32Å; D151-R153 IonicContact OD1-NE 3.84Å; D151-R153 PolarHBondContact OD1-NE 2.86Å; D151-R153 IonicContact OD1-NH2 2.93Å; D151-R153 IonicContact OD2-CZ 3.09Å; D151-R153 IonicContact OD2-NE 3.21Å; D151-R153 PolarHBondContact OD2-NE 3.31Å; D151-R153 IonicContact OD2-NH2 2.99Å; D151-R153 PolarHBondContact OD2-NH2 3.26Å; R153-T155 PolarHBondContact O-N 3.14Å; R153-F226 VanDerWaalsContact CZ-O 3.29Å; R153-F226 PolarHBondContact NH1-O 3.27Å; R153-F226 VanDerWaalsContact NH2-CB 3.35Å; R153-F226 PolarHBondContact NH2-O 3.45Å; R153-P227 PolarHBondContact NH1-O 2.79Å; R153-P227 VanDerWaalsContact NH1-O 3.12Å
154R92.5Very high96.6Very high112 Ų11258.6 Ų58.642%0.42336%0.359SS..  trans-63.5125-177.4-178180175.4124.21.1110.6A148 D151 S156 P157A148-R154 WeakPolarHBondContact O-CD 3.34Å; A148-R154 PolarHBondContact O-NH1 3.38Å; D151-R154 WeakPolarHBondContact O-CB 3.31Å; D151-R154 PolarHBondContact O-N 3.25Å; R154-S156 WeakPolarHBondContact CG-O 3.26Å; R154-S156 PolarHBondContact NE-O 3.23Å; R154-S156 VanDerWaalsContact NE-O 3.13Å; R154-P157 PolarHBondContact NH2-O 3.33Å
155T93.7Very high96.6Very high128 Ų12857.3 Ų57.379%0.78535%0.353SS*.  trans-97.6-24.8176.8540000113.1R153R153-T155 PolarHBondContact O-N 3.14Å
156S94.7Very high96.6Very high70 Ų7056 Ų5649%0.4934%0.344SS..SBendtrans-71145.1175.6-48.50000111.3R154 V158R154-S156 WeakPolarHBondContact CG-O 3.26Å; R154-S156 PolarHBondContact NE-O 3.23Å; R154-S156 VanDerWaalsContact NE-O 3.13Å; S156-V158 PolarHBondContact O-N 3.26Å
157P93.6Very high96.6Very high124 Ų12458.9 Ų58.981%0.80536%0.359SS*.  trans-49.8125.6178.2-27.634.8000112.1R154R154-P157 PolarHBondContact NH2-O 3.33Å
158V94.4Very high96.7Very high58 Ų5859.3 Ų59.335%0.35236%0.362SS..  trans-87.3-18.8-176.973.40000112.6S149 S156 S160 P161S149-V158 WeakPolarHBondContact O-CG2 3.27Å; S156-V158 PolarHBondContact O-N 3.26Å; V158-S160 PolarHBondContact O-N 2.76Å; V158-P161 HydrophobicContact CG1-CG 4.19Å; V158-P161 HydrophobicContact CG2-CG 3.93Å
159G96.7Very high96.7Very high70 Ų7058.5 Ų58.572%0.72236%0.355SS*.  trans65-126.4-174.300000111.1P161G159-P161 WeakPolarHBondContact O-CD 3.07Å
160S97.6Very high96.7Very high48 Ų4858 Ų5834%0.33635%0.351SS..  trans-110.6100.8176.8178.10000110.4V158 A162 L163 S164V158-S160 PolarHBondContact O-N 2.76Å; S160-A162 VanDerWaalsContact C-N 3.25Å; S160-A162 PolarHBondContact O-N 3.46Å; S160-L163 PolarHBondContact O-N 3.41Å; S160-L163 WeakPolarHBondContact OG-CB 3.42Å; S160-L163 PolarHBondContact OG-N 3.14Å; S160-S164 WeakPolarHBondContact O-CB 3.33Å; S160-S164 PolarHBondContact O-N 2.96Å; S160-S164 PolarHBondContact O-OG 3.41Å
161P97.9Very high96.8Very high42 Ų4258.6 Ų58.627%0.27335%0.35SS..Hα-helixtrans-51.4-46.6174.6-28.835.4000112.1V158 G159 L163 S164 I165V158-P161 HydrophobicContact CG1-CG 4.19Å; V158-P161 HydrophobicContact CG2-CG 3.93Å; G159-P161 WeakPolarHBondContact O-CD 3.07Å; P161-L163 PolarHBondContact O-N 2.92Å; P161-S164 PolarHBondContact O-N 3.1Å; P161-I165 WeakPolarHBondContact O-CB 3.4Å; P161-I165 WeakPolarHBondContact O-CD1 3.27Å; P161-I165 WeakPolarHBondContact O-CG1 3.47Å; P161-I165 PolarHBondContact O-N 3.31Å
162A98.3Very high96.9Very high8 Ų857.4 Ų57.47%0.06635%0.345CS..Hα-helixtrans-59.4-49.1-179.200000112.4G54 A57 Q58 S160 G166G54-A162 WeakPolarHBondContact CA-O 3.44Å; G54-A162 WeakPolarHBondContact O-CB 3.43Å; A57-A162 HydrophobicContact CB-CB 4.15Å; Q58-A162 HydrophobicContact CB-CB 3.82Å; Q58-A162 VanDerWaalsContact OE1-CB 3.25Å; S160-A162 VanDerWaalsContact C-N 3.25Å; S160-A162 PolarHBondContact O-N 3.46Å; A162-G166 PolarHBondContact O-N 3.49Å
163L98.6Very high97.1Very high89 Ų8953.6 Ų53.647%0.46632%0.318SS..Hα-helixtrans-68.4-41.3179.3-173.962.4000111.9S160 P161 I165 G166 L167S160-L163 PolarHBondContact O-N 3.41Å; S160-L163 WeakPolarHBondContact OG-CB 3.42Å; S160-L163 PolarHBondContact OG-N 3.14Å; P161-L163 PolarHBondContact O-N 2.92Å; L163-I165 PolarHBondContact O-N 2.98Å; L163-G166 PolarHBondContact O-N 3.04Å; L163-L167 HydrophobicContact CD1-CD1 4.18Å; L163-L167 HydrophobicContact CD1-CG 4.14Å; L163-L167 HydrophobicContact CG-CD1 3.97Å; L163-L167 HydrophobicContact CG-CG 4.33Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 WeakPolarHBondContact O-CG 3.42Å; L163-L167 PolarHBondContact O-N 2.99Å
164S98.8Very high97.4Very high50 Ų5052 Ų5235%0.3532%0.316SS..Hα-helixtrans-60.4-45.3176.6-68.10000112S160 P161 L167 S168S160-S164 WeakPolarHBondContact O-CB 3.33Å; S160-S164 PolarHBondContact O-N 2.96Å; S160-S164 PolarHBondContact O-OG 3.41Å; P161-S164 PolarHBondContact O-N 3.1Å; S164-L167 PolarHBondContact O-N 3.11Å; S164-S168 WeakPolarHBondContact O-CB 3.39Å; S164-S168 PolarHBondContact O-N 3.42Å
165I98.8Very high97.7Very high16 Ų1650.1 Ų50.18%0.08232%0.317CS..Hα-helixtrans-65.5-42.9176.9-66.4164.2000110.5I53 L142 I146 T150 P161 L163 S168 V169I53-I165 HydrophobicContact CG2-CG2 3.87Å; L142-I165 HydrophobicContact CD1-CG2 4.18Å; I146-I165 HydrophobicContact CB-CD1 4.44Å; I146-I165 HydrophobicContact CD1-CG2 4.24Å; I146-I165 HydrophobicContact CG1-CB 4.44Å; I146-I165 HydrophobicContact CG1-CD1 3.99Å; I146-I165 HydrophobicContact CG1-CG1 3.82Å; I146-I165 HydrophobicContact CG1-CG2 3.76Å; T150-I165 HydrophobicContact CG2-CD1 4.4Å; P161-I165 WeakPolarHBondContact O-CB 3.4Å; P161-I165 WeakPolarHBondContact O-CD1 3.27Å; P161-I165 WeakPolarHBondContact O-CG1 3.47Å; P161-I165 PolarHBondContact O-N 3.31Å; L163-I165 PolarHBondContact O-N 2.98Å; I165-S168 VanDerWaalsContact O-CB 3.3Å; I165-S168 WeakPolarHBondContact O-CB 3.42Å; I165-S168 PolarHBondContact O-N 3.45Å; I165-V169 PolarHBondContact O-N 3.35Å; I165-V169 VanDerWaalsContact O-N 3.11Å
166G98.8Very high97.9Very high2 Ų244 Ų442%0.02128%0.279CS..Hα-helixtrans-60.1-48.7175.900000112.6G50 A162 L163 S168 V169 T170G50-G166 CarbonylContact C-O 3.17Å; G50-G166 WeakPolarHBondContact CA-O 3.38Å; G50-G166 CarbonylContact O-C 3.59Å; G50-G166 WeakPolarHBondContact O-CA 3.48Å; A162-G166 PolarHBondContact O-N 3.49Å; L163-G166 PolarHBondContact O-N 3.04Å; G166-S168 VanDerWaalsContact C-N 3.27Å; G166-S168 PolarHBondContact O-N 2.85Å; G166-V169 WeakPolarHBondContact O-CB 3.47Å; G166-V169 PolarHBondContact O-N 2.88Å; G166-T170 PolarHBondContact O-N 2.83Å; G166-T170 PolarHBondContact O-OG1 3.24Å
167L98.9Very high98.1Very high82 Ų8242.1 Ų42.143%0.42926%0.263SS..Hα-helixtrans-67.9-26.9177.1-67.4176.7000112.8L163 S164 V169 T170 L171L163-L167 HydrophobicContact CD1-CD1 4.18Å; L163-L167 HydrophobicContact CD1-CG 4.14Å; L163-L167 HydrophobicContact CG-CD1 3.97Å; L163-L167 HydrophobicContact CG-CG 4.33Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 WeakPolarHBondContact O-CG 3.42Å; L163-L167 PolarHBondContact O-N 2.99Å; S164-L167 PolarHBondContact O-N 3.11Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-T170 WeakPolarHBondContact O-CB 3.33Å; L167-T170 PolarHBondContact O-N 3.28Å; L167-L171 PolarHBondContact O-N 2.94Å
168S98.9Very high98.4Very high9 Ų942.6 Ų42.66%0.06325%0.25CS..Hα-helixtrans-62.2-40.2168.8-177.40000111.6Q141 L142 S164 I165 G166 L171 G172Q141-S168 PolarHBondContact NE2-OG 2.91Å; Q141-S168 PolarHBondContact OE1-O 3.36Å; Q141-S168 VanDerWaalsContact OE1-O 3.11Å; Q141-S168 PolarHBondContact OE1-OG 3.34Å; L142-S168 WeakPolarHBondContact CA-OG 3.41Å; S164-S168 WeakPolarHBondContact O-CB 3.39Å; S164-S168 PolarHBondContact O-N 3.42Å; I165-S168 VanDerWaalsContact O-CB 3.3Å; I165-S168 WeakPolarHBondContact O-CB 3.42Å; I165-S168 PolarHBondContact O-N 3.45Å; G166-S168 VanDerWaalsContact C-N 3.27Å; G166-S168 PolarHBondContact O-N 2.85Å; S168-L171 WeakPolarHBondContact O-CB 3.36Å; S168-L171 PolarHBondContact O-N 3.35Å; S168-G172 PolarHBondContact O-N 2.85Å
169V98.9Very high98.6Very high8 Ų843.2 Ų43.25%0.04825%0.248CC..Hα-helixtrans-67.2-39.7173.9172.30000111.2F49 I53 L142 I165 G166 L167 L171 G172 H173F49-V169 HydrophobicContact CB-CG1 4.13Å; I53-V169 HydrophobicContact CB-CG2 4.22Å; I53-V169 HydrophobicContact CG1-CG1 4.37Å; I53-V169 HydrophobicContact CG1-CG2 4.14Å; I53-V169 HydrophobicContact CG2-CG2 4.05Å; L142-V169 HydrophobicContact CD1-CG2 3.65Å; L142-V169 HydrophobicContact CD2-CG2 3.97Å; L142-V169 HydrophobicContact CG-CG2 4.46Å; I165-V169 PolarHBondContact O-N 3.35Å; I165-V169 VanDerWaalsContact O-N 3.11Å; G166-V169 WeakPolarHBondContact O-CB 3.47Å; G166-V169 PolarHBondContact O-N 2.88Å; L167-V169 VanDerWaalsContact C-N 3.32Å; V169-L171 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.99Å; V169-G172 PolarHBondContact O-N 3.47Å; V169-H173 PolarHBondContact O-N 2.89Å; V169-H173 PolarHBondContact O-ND1 3.18Å
170T98.9Very high98.7Very high8 Ų839.9 Ų39.95%0.04921%0.214CC..Hα-helixtrans-55.9-49.3171.8-58.90000110.7A46 L47 G50 G166 L167 G172 H173 L174A46-T170 HydrophobicContact CB-CG2 3.89Å; A46-T170 PolarHBondContact O-OG1 2.83Å; L47-T170 HydrophobicContact CD2-CG2 4.06Å; L47-T170 HydrophobicContact CG-CG2 4.36Å; G50-T170 WeakPolarHBondContact CA-OG1 3.43Å; G166-T170 PolarHBondContact O-N 2.83Å; G166-T170 PolarHBondContact O-OG1 3.24Å; L167-T170 WeakPolarHBondContact O-CB 3.33Å; L167-T170 PolarHBondContact O-N 3.28Å; T170-G172 VanDerWaalsContact C-N 3.31Å; T170-G172 PolarHBondContact O-N 2.98Å; T170-H173 PolarHBondContact O-N 3.04Å; T170-H173 VanDerWaalsContact O-N 3.1Å; T170-L174 HydrophobicContact CG2-CD1 4.37Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 WeakPolarHBondContact O-CG 3.4Å; T170-L174 PolarHBondContact O-N 3.01Å
171L98.9Very high98.7Very high95 Ų9538.8 Ų38.850%0.49721%0.21SC..Hα-helixtrans-55.8-46.4177.7173.863.4000111.5L167 S168 V169 H173 L174L167-L171 PolarHBondContact O-N 2.94Å; S168-L171 WeakPolarHBondContact O-CB 3.36Å; S168-L171 PolarHBondContact O-N 3.35Å; V169-L171 VanDerWaalsContact C-N 3.34Å; V169-L171 PolarHBondContact O-N 2.99Å; L171-H173 VanDerWaalsContact C-N 3.3Å; L171-H173 PolarHBondContact O-N 2.9Å; L171-L174 PolarHBondContact O-N 3.42Å
172G98.9Very high98.7Very high1 Ų136.8 Ų36.81%0.0120%0.197CC..Hα-helixtrans-57.6-43.5176.600000112.4S168 V169 T170 V175 G176S168-G172 PolarHBondContact O-N 2.85Å; V169-G172 PolarHBondContact O-N 3.47Å; T170-G172 VanDerWaalsContact C-N 3.31Å; T170-G172 PolarHBondContact O-N 2.98Å; G172-V175 PolarHBondContact O-N 3.46Å; G172-G176 WeakPolarHBondContact O-CA 3.21Å; G172-G176 PolarHBondContact O-N 3.03Å
173H98.9Very high98.8Very high3 Ų336.5 Ų36.51%0.01420%0.195CC..Hα-helixtrans-67.4-35.9178.3-77.672.2000113.7A46 F49 V169 T170 L171 V175 I177 C182A46-H173 HydrophobicContact CB-CB 3.52Å; F49-H173 AromaticContact CD1-CE1 3.76Å; F49-H173 AromaticContact CD1-NE2 3.39Å; F49-H173 WeakPolarHBondContact CD1-NE2 3.45Å; F49-H173 AromaticContact CD2-CD2 3.93Å; F49-H173 AromaticContact CD2-NE2 3.69Å; F49-H173 AromaticContact CE1-NE2 3.95Å; F49-H173 AromaticContact CG-CD2 3.85Å; F49-H173 AromaticContact CG-CE1 3.7Å; F49-H173 AromaticContact CG-NE2 3.26Å; F49-H173 VanDerWaalsContact CG-NE2 3.26Å; F49-H173 WeakPolarHBondContact CG-NE2 3.29Å; V169-H173 PolarHBondContact O-N 2.89Å; V169-H173 PolarHBondContact O-ND1 3.18Å; T170-H173 PolarHBondContact O-N 3.04Å; T170-H173 VanDerWaalsContact O-N 3.1Å; L171-H173 VanDerWaalsContact C-N 3.3Å; L171-H173 PolarHBondContact O-N 2.9Å; H173-V175 PolarHBondContact O-N 3.25Å; H173-V175 VanDerWaalsContact O-N 3.07Å; H173-I177 HydrophobicContact CB-CD1 3.88Å; H173-I177 HydrophobicContact CB-CG1 4.21Å; H173-I177 WeakPolarHBondContact O-CB 3.29Å; H173-I177 WeakPolarHBondContact O-CD1 3.42Å; H173-I177 WeakPolarHBondContact O-CG1 3.48Å; H173-I177 PolarHBondContact O-N 2.88Å; H173-C182 HydrophobicContact CB-CB 4.5Å
174L98.9Very high98.8Very high70 Ų7032.5 Ų32.537%0.36617%0.174SC..Hα-helixtrans-58.4-23.1178.7-71.9173.9000113.2L43 A46 T170 L171 Y178L43-L174 HydrophobicContact CD1-CD2 4Å; A46-L174 HydrophobicContact CB-CD2 3.94Å; A46-L174 HydrophobicContact CB-CG 4.08Å; T170-L174 HydrophobicContact CG2-CD1 4.37Å; T170-L174 HydrophobicContact CG2-CG 4.45Å; T170-L174 WeakPolarHBondContact O-CG 3.4Å; T170-L174 PolarHBondContact O-N 3.01Å; L171-L174 PolarHBondContact O-N 3.42Å; L174-Y178 WeakPolarHBondContact O-CE2 3.35Å
175V98.8Very high98.8Very high71 Ų7130.3 Ų30.343%0.4316%0.158SC..Hα-helixtrans-106.8-52.2173.7179.50000111.4L138 G172 H173 I177 Y178 F179L138-V175 HydrophobicContact CD2-CB 4.33Å; G172-V175 PolarHBondContact O-N 3.46Å; H173-V175 PolarHBondContact O-N 3.25Å; H173-V175 VanDerWaalsContact O-N 3.07Å; V175-I177 VanDerWaalsContact C-N 3.26Å; V175-I177 PolarHBondContact O-N 3.44Å; V175-I177 VanDerWaalsContact O-N 3.17Å; V175-Y178 PolarHBondContact O-N 3.31Å; V175-F179 HydrophobicContact CG1-CD2 4.46Å; V175-F179 HydrophobicContact CG1-CE2 4.05Å
176G98.8Very high98.8Very high0 Ų029.6 Ų29.60%015%0.154CC..Hα-helixtrans-61.8-27.3-170.300000115.1L138 G172 Y178 F179 T180 G181 C182L138-G176 VanDerWaalsContact CD1-CA 3.49Å; G172-G176 WeakPolarHBondContact O-CA 3.21Å; G172-G176 PolarHBondContact O-N 3.03Å; G176-Y178 PolarHBondContact O-N 3.29Å; G176-F179 PolarHBondContact O-N 3.5Å; G176-F179 VanDerWaalsContact O-N 3.15Å; G176-T180 PolarHBondContact O-N 3Å; G176-T180 PolarHBondContact O-OG1 3.31Å; G176-G181 PolarHBondContact O-N 2.89Å; G176-C182 PolarHBondContact O-N 3.38Å
177I98.8Very high98.8Very high30 Ų3029.5 Ų29.515%0.15415%0.154CC..Hα-helixtrans-58.7-37.7179.1-69.3167.6000111.2I42 I45 H173 V175 F179 G181 C182I42-I177 HydrophobicContact CD1-CB 4.18Å; I42-I177 HydrophobicContact CD1-CD1 4.49Å; I42-I177 HydrophobicContact CD1-CG2 3.39Å; I42-I177 HydrophobicContact CG2-CD1 4.02Å; I45-I177 HydrophobicContact CB-CD1 4.02Å; I45-I177 HydrophobicContact CG2-CD1 3.77Å; H173-I177 HydrophobicContact CB-CD1 3.88Å; H173-I177 HydrophobicContact CB-CG1 4.21Å; H173-I177 WeakPolarHBondContact O-CB 3.29Å; H173-I177 WeakPolarHBondContact O-CD1 3.42Å; H173-I177 WeakPolarHBondContact O-CG1 3.48Å; H173-I177 PolarHBondContact O-N 2.88Å; V175-I177 VanDerWaalsContact C-N 3.26Å; V175-I177 PolarHBondContact O-N 3.44Å; V175-I177 VanDerWaalsContact O-N 3.17Å; I177-F179 PolarHBondContact O-N 3.49Å; I177-G181 PolarHBondContact O-N 3.5Å; I177-G181 VanDerWaalsContact O-N 3.17Å; I177-C182 HydrophobicContact CG1-CB 4.06Å
178Y98.6Very high98.8Very high135 Ų13525.9 Ų25.953%0.52913%0.134SC..Hα-helixtrans-68.5-21.2-177.7-65.5-71.7000114.2I42 N123 L174 V175 G176I42-Y178 HydrophobicContact CD1-CE1 4.41Å; I42-Y178 HydrophobicContact CG1-CE1 4.33Å; I42-Y178 HydrophobicContact CG2-CE2 4.32Å; N123-Y178 WeakPolarHBondContact CB-O 3.21Å; N123-Y178 PolarHBondContact ND2-O 3.14Å; L174-Y178 WeakPolarHBondContact O-CE2 3.35Å; V175-Y178 PolarHBondContact O-N 3.31Å; G176-Y178 PolarHBondContact O-N 3.29Å
179F98.7Very high98.8Very high70 Ų7025.5 Ų25.531%0.30713%0.131SC..Hα-helixtrans-102.4-44.6-176.7-65.7-90.2000112.3L122 N123 T126 V134 V175 G176 I177L122-F179 WeakPolarHBondContact CA-O 3.37Å; N123-F179 PolarHBondContact N-O 2.83Å; T126-F179 HydrophobicContact CG2-CD1 3.94Å; V134-F179 HydrophobicContact CG1-CB 4.21Å; V134-F179 HydrophobicContact CG1-CD2 4.1Å; V134-F179 HydrophobicContact CG1-CG 4.17Å; V134-F179 HydrophobicContact CG2-CD1 3.98Å; V134-F179 HydrophobicContact CG2-CD2 4.28Å; V134-F179 HydrophobicContact CG2-CE1 4.18Å; V134-F179 HydrophobicContact CG2-CE2 4.48Å; V134-F179 HydrophobicContact CG2-CG 4.02Å; V134-F179 HydrophobicContact CG2-CZ 4.43Å; V175-F179 HydrophobicContact CG1-CD2 4.46Å; V175-F179 HydrophobicContact CG1-CE2 4.05Å; G176-F179 PolarHBondContact O-N 3.5Å; G176-F179 VanDerWaalsContact O-N 3.15Å; I177-F179 PolarHBondContact O-N 3.49Å
180T98.6Very high98.8Very high0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-137.9-1.1-16658.80000114.1N120 A121 L122 A131 E135 G176 C182 F206N120-T180 WeakPolarHBondContact CB-O 3.3Å; N120-T180 PolarHBondContact ND2-O 3.24Å; A121-T180 PolarHBondContact N-O 2.99Å; A121-T180 CarbonylContact O-C 3.14Å; A121-T180 VanDerWaalsContact O-CA 3.29Å; A121-T180 WeakPolarHBondContact O-CA 3.37Å; L122-T180 HydrophobicContact CD1-CG2 4.06Å; A131-T180 HydrophobicContact CB-CG2 3.64Å; E135-T180 HydrophobicContact CG-CG2 4.11Å; E135-T180 WeakPolarHBondContact OE1-CB 3.28Å; E135-T180 PolarHBondContact OE1-OG1 2.92Å; G176-T180 PolarHBondContact O-N 3Å; G176-T180 PolarHBondContact O-OG1 3.31Å; T180-C182 PolarHBondContact O-N 2.81Å; T180-C182 WeakPolarHBondContact OG1-CA 3.47Å; T180-C182 PolarHBondContact OG1-N 3.25Å; T180-C182 VanDerWaalsContact OG1-N 3.08Å; T180-F206 HydrophobicContact CG2-CE1 4.13Å
181G98.1Very high98.8Very high25 Ų2527.1 Ų27.126%0.25814%0.137SC..SBendtrans72.29-162.500000113.6N120 G176 I177N120-G181 VanDerWaalsContact ND2-C 3.34Å; N120-G181 PolarHBondContact ND2-O 2.8Å; G176-G181 PolarHBondContact O-N 2.89Å; I177-G181 PolarHBondContact O-N 3.5Å; I177-G181 VanDerWaalsContact O-N 3.17Å
182C98.7Very high98.8Very high0 Ų022.6 Ų22.60%011%0.113CC..  trans60.998.9-178.3-159.50000113.7N120 H173 G176 I177 T180 M184 R188N120-C182 PolarHBondContact ND2-O 3.03Å; N120-C182 VanDerWaalsContact ND2-O 3.09Å; H173-C182 HydrophobicContact CB-CB 4.5Å; G176-C182 PolarHBondContact O-N 3.38Å; I177-C182 HydrophobicContact CG1-CB 4.06Å; T180-C182 PolarHBondContact O-N 2.81Å; T180-C182 WeakPolarHBondContact OG1-CA 3.47Å; T180-C182 PolarHBondContact OG1-N 3.25Å; T180-C182 VanDerWaalsContact OG1-N 3.08Å; C182-M184 PolarHBondContact SG-SD 3.22Å; C182-R188 PolarHBondContact O-NE 2.88Å
183S98.8Very high98.8Very high3 Ų322.5 Ų22.52%0.02111%0.113CC..  trans-79.4-71.5171.6174.50000109.6N120 E135 N185 S189 F206N120-S183 PolarHBondContact ND2-N 3.42Å; E135-S183 WeakPolarHBondContact OE1-CB 3.43Å; E135-S183 PolarHBondContact OE1-N 3.48Å; E135-S183 WeakPolarHBondContact OE2-CB 3.16Å; E135-S183 PolarHBondContact OE2-N 3.06Å; S183-N185 PolarHBondContact O-N 2.94Å; S183-N185 PolarHBondContact OG-N 3.42Å; S183-N185 PolarHBondContact OG-O 3.3Å; S183-S189 VanDerWaalsContact CB-OG 3.26Å; S183-S189 WeakPolarHBondContact CB-OG 3.2Å; S183-S189 PolarHBondContact OG-OG 3.45Å; S183-F206 PolarHBondContact OG-O 3.01Å
184M98.9Very high98.8Very high4 Ų424.7 Ų24.72%0.0213%0.126CC..SBendtrans51.8-8-166.6-57.6170.880.500115.6N69 E135 L138 T139 L142 C182N69-M184 PolarHBondContact ND2-O 3.26Å; E135-M184 PolarHBondContact OE2-N 3.23Å; L138-M184 HydrophobicContact CB-CE 4.26Å; L138-M184 HydrophobicContact CB-CG 3.74Å; L138-M184 HydrophobicContact CB-SD 4.28Å; L138-M184 HydrophobicContact CD1-CG 4.35Å; L138-M184 VanDerWaalsContact O-CE 3.25Å; L138-M184 WeakPolarHBondContact O-CE 3.49Å; T139-M184 WeakPolarHBondContact CG2-O 3.29Å; T139-M184 WeakPolarHBondContact OG1-CA 3.42Å; L142-M184 HydrophobicContact CB-CE 3.74Å; L142-M184 HydrophobicContact CD2-CE 3.82Å; L142-M184 HydrophobicContact CG-CE 4.32Å; C182-M184 PolarHBondContact SG-SD 3.22Å
185N98.9Very high98.8Very high5 Ų523.4 Ų23.43%0.02712%0.121CC..  trans-153110.4-164-178.1-28000109.4I68 N69 P70 S183 A187 R188 S189I68-N185 PolarHBondContact O-ND2 3.36Å; N69-N185 HydrophobicContact CB-CB 4.46Å; N69-N185 WeakPolarHBondContact CB-ND2 3.41Å; N69-N185 WeakPolarHBondContact ND2-CB 3.47Å; N69-N185 WeakPolarHBondContact OD1-CA 3.35Å; N69-N185 PolarHBondContact OD1-OD1 3.26Å; P70-N185 WeakPolarHBondContact CD-OD1 3.21Å; S183-N185 PolarHBondContact O-N 2.94Å; S183-N185 PolarHBondContact OG-N 3.42Å; S183-N185 PolarHBondContact OG-O 3.3Å; N185-A187 VanDerWaalsContact C-N 3.29Å; N185-A187 PolarHBondContact O-N 2.94Å; N185-A187 WeakPolarHBondContact OD1-CB 3.29Å; N185-A187 PolarHBondContact OD1-N 3.39Å; N185-R188 HydrophobicContact CB-CB 3.88Å; N185-R188 PolarHBondContact O-N 3.3Å; N185-R188 PolarHBondContact OD1-N 3.07Å; N185-S189 PolarHBondContact O-N 3.08Å
186P98.9Very high98.8Very high0 Ų022.1 Ų22.10%011%0.111CC..Hα-helixtrans-58.1-37.6-179.9-26.535.2000113.6N69 P70 A71 S189 F190 W207 P210 I211N69-P186 WeakPolarHBondContact OD1-CD 3.46Å; P70-P186 HydrophobicContact CB-CB 4.27Å; P70-P186 HydrophobicContact CB-CG 4.2Å; P70-P186 HydrophobicContact CG-CB 4.28Å; A71-P186 HydrophobicContact CB-CG 4.43Å; P186-S189 PolarHBondContact O-N 3.05Å; P186-F190 WeakPolarHBondContact O-CB 3.31Å; P186-F190 PolarHBondContact O-N 2.98Å; P186-W207 HydrophobicContact CB-CD2 3.75Å; P186-W207 HydrophobicContact CB-CE3 3.63Å; P186-W207 HydrophobicContact CB-CG 4.29Å; P186-W207 HydrophobicContact CB-CH2 4.28Å; P186-W207 HydrophobicContact CB-CZ2 4.37Å; P186-W207 HydrophobicContact CB-CZ3 3.91Å; P186-W207 HydrophobicContact CG-CE3 4.3Å; P186-P210 HydrophobicContact CG-CB 4.37Å; P186-I211 HydrophobicContact CG-CD1 4.37Å; P186-I211 HydrophobicContact CG-CG1 4.21Å
187A98.9Very high98.8Very high0 Ų028.9 Ų28.90%015%0.147CC..Hα-helixtrans-66.3-41.7179.600000112.1T21 P70 Q94 L95 A98 N185 S189 F190 G191T21-A187 HydrophobicContact CG2-CB 4.12Å; P70-A187 HydrophobicContact CG-CB 3.82Å; Q94-A187 HydrophobicContact CB-CB 4.26Å; L95-A187 HydrophobicContact CD2-CB 4.05Å; A98-A187 HydrophobicContact CB-CB 3.95Å; A98-A187 WeakPolarHBondContact CB-O 3.2Å; N185-A187 VanDerWaalsContact C-N 3.29Å; N185-A187 PolarHBondContact O-N 2.94Å; N185-A187 WeakPolarHBondContact OD1-CB 3.29Å; N185-A187 PolarHBondContact OD1-N 3.39Å; A187-S189 VanDerWaalsContact C-N 3.27Å; A187-S189 PolarHBondContact O-N 3.09Å; A187-F190 PolarHBondContact O-N 2.9Å; A187-G191 PolarHBondContact O-N 3.22Å
188R98.9Very high98.7Very high7 Ų733.8 Ų33.83%0.02616%0.164CC..Hα-helixtrans-60.1-35.6175.5177.8-92.8-170.5-96.23.1113.1F24 F49 A118 N120 C182 N185 P192F24-R188 HydrophobicContact CE1-CB 3.92Å; F24-R188 HydrophobicContact CE1-CG 4.13Å; F24-R188 HydrophobicContact CZ-CB 4.48Å; F24-R188 HydrophobicContact CZ-CG 4.29Å; F49-R188 HydrophobicContact CE1-CG 3.99Å; A118-R188 PolarHBondContact O-NH1 3.08Å; N120-R188 WeakPolarHBondContact OD1-CD 3.49Å; N120-R188 PolarHBondContact OD1-NE 3Å; N120-R188 PolarHBondContact OD1-NH1 3.49Å; N120-R188 VanDerWaalsContact OD1-NH1 3.15Å; C182-R188 PolarHBondContact O-NE 2.88Å; N185-R188 HydrophobicContact CB-CB 3.88Å; N185-R188 PolarHBondContact O-N 3.3Å; N185-R188 PolarHBondContact OD1-N 3.07Å; R188-P192 WeakPolarHBondContact O-CD 3.14Å; R188-P192 WeakPolarHBondContact O-CG 3.35Å
189S98.9Very high98.7Very high0 Ų031.9 Ų31.90%016%0.158CC..Hα-helixtrans-78.6-37.7176.3-700000112.1N120 S183 N185 P186 A187 A193 F206N120-S189 PolarHBondContact OD1-OG 2.95Å; S183-S189 VanDerWaalsContact CB-OG 3.26Å; S183-S189 WeakPolarHBondContact CB-OG 3.2Å; S183-S189 PolarHBondContact OG-OG 3.45Å; N185-S189 PolarHBondContact O-N 3.08Å; P186-S189 PolarHBondContact O-N 3.05Å; A187-S189 VanDerWaalsContact C-N 3.27Å; A187-S189 PolarHBondContact O-N 3.09Å; S189-A193 WeakPolarHBondContact O-CB 3.2Å; S189-F206 WeakPolarHBondContact OG-CB 3.47Å
190F98.9Very high98.5Very high50 Ų5030.1 Ų30.122%0.21916%0.155CC..Hα-helixtrans-71-46-177.7-176.2-112.1000112.9L95 I99 P186 A187 A193 V194 F199 W207L95-F190 HydrophobicContact CB-CD1 4.32Å; L95-F190 HydrophobicContact CB-CE1 4.43Å; L95-F190 HydrophobicContact CD2-CB 4.14Å; L95-F190 HydrophobicContact CD2-CD1 3.62Å; L95-F190 HydrophobicContact CD2-CE1 4.26Å; L95-F190 HydrophobicContact CD2-CG 4.06Å; I99-F190 HydrophobicContact CD1-CD1 4.27Å; I99-F190 HydrophobicContact CD1-CE1 3.75Å; I99-F190 HydrophobicContact CG1-CD1 4.36Å; I99-F190 HydrophobicContact CG1-CE1 4.32Å; P186-F190 WeakPolarHBondContact O-CB 3.31Å; P186-F190 PolarHBondContact O-N 2.98Å; A187-F190 PolarHBondContact O-N 2.9Å; F190-A193 WeakPolarHBondContact O-CB 3.34Å; F190-A193 PolarHBondContact O-N 3.5Å; F190-A193 VanDerWaalsContact O-N 3.14Å; F190-V194 HydrophobicContact CD1-CG2 3.92Å; F190-V194 HydrophobicContact CD2-CG2 3.91Å; F190-V194 HydrophobicContact CE1-CG2 3.6Å; F190-V194 HydrophobicContact CE2-CG2 3.54Å; F190-V194 HydrophobicContact CG-CG2 4.08Å; F190-V194 HydrophobicContact CZ-CG2 3.38Å; F190-V194 WeakPolarHBondContact O-CG2 3.45Å; F190-V194 PolarHBondContact O-N 2.86Å; F190-F199 AromaticContact CD2-CE1 3.81Å; F190-F199 HydrophobicContact CD2-CE1 3.81Å; F190-F199 HydrophobicContact CD2-CZ 4.09Å; F190-F199 AromaticContact CE2-CE1 3.93Å; F190-F199 HydrophobicContact CE2-CE1 3.93Å; F190-F199 AromaticContact CE2-CZ 3.87Å; F190-F199 HydrophobicContact CE2-CZ 3.87Å; F190-W207 HydrophobicContact CB-CZ2 4Å; F190-W207 AromaticContact CD2-CZ2 3.82Å; F190-W207 HydrophobicContact CD2-CZ2 3.82Å; F190-W207 HydrophobicContact CE2-CZ2 4.49Å; F190-W207 AromaticContact CG-CZ2 3.97Å; F190-W207 HydrophobicContact CG-CZ2 3.97Å
191G98.9Very high98.3Very high0 Ų035.8 Ų35.80%019%0.192CC..Hα-helixtrans-48.5-61.1-177.400000114.5A187 A193 V194 V195A187-G191 PolarHBondContact O-N 3.22Å; G191-A193 VanDerWaalsContact C-N 3.33Å; G191-A193 PolarHBondContact O-N 3.16Å; G191-V194 PolarHBondContact O-N 3.17Å; G191-V195 WeakPolarHBondContact O-CG2 3.24Å; G191-V195 PolarHBondContact O-N 2.95Å; G191-V195 VanDerWaalsContact O-N 3.14Å
192P98.9Very high98.3Very high0 Ų035 Ų350%018%0.182CC..Hα-helixtrans-68.8-29.9179.228.3-34.7000113.1L29 A102 L117 I119 R188 V194 V195 M196L29-P192 HydrophobicContact CD1-CB 3.72Å; L29-P192 HydrophobicContact CD1-CG 3.92Å; L29-P192 HydrophobicContact CD2-CB 4.41Å; L29-P192 HydrophobicContact CD2-CG 4Å; A102-P192 HydrophobicContact CB-CB 4.43Å; L117-P192 HydrophobicContact CB-CB 4.47Å; L117-P192 HydrophobicContact CD2-CB 4.2Å; L117-P192 HydrophobicContact CG-CB 4.39Å; L117-P192 WeakPolarHBondContact O-CB 2.98Å; I119-P192 HydrophobicContact CG1-CB 3.79Å; I119-P192 HydrophobicContact CG1-CG 4.23Å; R188-P192 WeakPolarHBondContact O-CD 3.14Å; R188-P192 WeakPolarHBondContact O-CG 3.35Å; P192-V194 VanDerWaalsContact C-N 3.35Å; P192-V195 PolarHBondContact O-N 2.8Å; P192-M196 VanDerWaalsContact O-CB 3.31Å; P192-M196 WeakPolarHBondContact O-CB 3.35Å; P192-M196 VanDerWaalsContact O-CG 3.26Å; P192-M196 WeakPolarHBondContact O-CG 3.17Å; P192-M196 PolarHBondContact O-N 3.15Å
193A98.8Very high98.3Very high0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-64.4-39.9176.300000111.7S189 F190 G191 N197 R198 F199S189-A193 WeakPolarHBondContact O-CB 3.2Å; F190-A193 WeakPolarHBondContact O-CB 3.34Å; F190-A193 PolarHBondContact O-N 3.5Å; F190-A193 VanDerWaalsContact O-N 3.14Å; G191-A193 VanDerWaalsContact C-N 3.33Å; G191-A193 PolarHBondContact O-N 3.16Å; A193-N197 WeakPolarHBondContact O-CA 3.45Å; A193-N197 PolarHBondContact O-N 3.48Å; A193-N197 VanDerWaalsContact O-N 3.1Å; A193-R198 WeakPolarHBondContact CB-O 3.41Å; A193-R198 PolarHBondContact O-N 3Å; A193-F199 HydrophobicContact CB-CD1 3.96Å; A193-F199 HydrophobicContact CB-CE1 3.79Å; A193-F199 HydrophobicContact CB-CE2 4.44Å; A193-F199 HydrophobicContact CB-CG 4.37Å; A193-F199 HydrophobicContact CB-CZ 4.05Å
194V98.9Very high98.3Very high49 Ų4941 Ų4130%0.29721%0.206SC..Hα-helixtrans-65.6-52.6173.9171.40000111I99 F190 G191 P192 M196 N197 F199I99-V194 HydrophobicContact CD1-CB 4.4Å; I99-V194 HydrophobicContact CD1-CG1 4.05Å; I99-V194 HydrophobicContact CD1-CG2 4.25Å; I99-V194 HydrophobicContact CG1-CB 4.1Å; I99-V194 HydrophobicContact CG1-CG1 4.08Å; I99-V194 HydrophobicContact CG1-CG2 4.28Å; I99-V194 HydrophobicContact CG2-CG1 4.27Å; F190-V194 HydrophobicContact CD1-CG2 3.92Å; F190-V194 HydrophobicContact CD2-CG2 3.91Å; F190-V194 HydrophobicContact CE1-CG2 3.6Å; F190-V194 HydrophobicContact CE2-CG2 3.54Å; F190-V194 HydrophobicContact CG-CG2 4.08Å; F190-V194 HydrophobicContact CZ-CG2 3.38Å; F190-V194 WeakPolarHBondContact O-CG2 3.45Å; F190-V194 PolarHBondContact O-N 2.86Å; G191-V194 PolarHBondContact O-N 3.17Å; P192-V194 VanDerWaalsContact C-N 3.35Å; V194-M196 VanDerWaalsContact C-N 3.25Å; V194-M196 PolarHBondContact O-N 3.29Å; V194-N197 PolarHBondContact O-N 3.15Å; V194-F199 HydrophobicContact CG2-CE2 4.48Å; V194-F199 HydrophobicContact CG2-CZ 3.75Å
195V98.8Very high98.3Very high42 Ų4240.9 Ų40.926%0.25521%0.205SC..Hα-helixtrans-60.2-37.6-1761710000111.8I99 A102 Y106 L117 G191 P192 N197I99-V195 HydrophobicContact CG2-CG2 4.2Å; A102-V195 HydrophobicContact CB-CB 4.4Å; A102-V195 HydrophobicContact CB-CG2 3.81Å; Y106-V195 HydrophobicContact CD2-CG1 3.95Å; Y106-V195 HydrophobicContact CG-CG1 4.01Å; L117-V195 HydrophobicContact CD2-CB 4.19Å; L117-V195 HydrophobicContact CD2-CG1 3.82Å; G191-V195 WeakPolarHBondContact O-CG2 3.24Å; G191-V195 PolarHBondContact O-N 2.95Å; G191-V195 VanDerWaalsContact O-N 3.14Å; P192-V195 PolarHBondContact O-N 2.8Å; V195-N197 VanDerWaalsContact C-N 3.31Å
196M98.6Very high98.3Very high44 Ų4440.7 Ų40.722%0.21720%0.204CC..THydrogen-bonded Turntrans-87.8-0.1178.1-61.3-60.7-66.300113.4Y106 G115 L117 I119 P192 V194 R198Y106-M196 HydrophobicContact CD2-SD 3.65Å; Y106-M196 HydrophobicContact CE2-SD 3.67Å; G115-M196 WeakPolarHBondContact O-CE 3.34Å; L117-M196 HydrophobicContact CB-CG 3.73Å; L117-M196 HydrophobicContact CB-SD 3.8Å; L117-M196 HydrophobicContact CD2-CG 4.06Å; L117-M196 HydrophobicContact CD2-SD 4.1Å; I119-M196 HydrophobicContact CD1-CB 3.71Å; I119-M196 HydrophobicContact CD1-CG 3.87Å; P192-M196 VanDerWaalsContact O-CB 3.31Å; P192-M196 WeakPolarHBondContact O-CB 3.35Å; P192-M196 VanDerWaalsContact O-CG 3.26Å; P192-M196 WeakPolarHBondContact O-CG 3.17Å; P192-M196 PolarHBondContact O-N 3.15Å; V194-M196 VanDerWaalsContact C-N 3.25Å; V194-M196 PolarHBondContact O-N 3.29Å; M196-R198 HydrophobicContact CB-CB 4.37Å; M196-R198 PolarHBondContact O-N 3.39Å
197N98.4Very high98.3Very high143 Ų14344 Ų4477%0.76522%0.216SC*.THydrogen-bonded Turntrans44.646.8-171.9-168.731.9000112.4A193 V194 V195A193-N197 WeakPolarHBondContact O-CA 3.45Å; A193-N197 PolarHBondContact O-N 3.48Å; A193-N197 VanDerWaalsContact O-N 3.1Å; V194-N197 PolarHBondContact O-N 3.15Å; V195-N197 VanDerWaalsContact C-N 3.31Å
198R98Very high98.3Very high133 Ų13347 Ų4750%0.50223%0.234SC..  trans-140.6103.6-174.9-172.3-178.7-68.9170.51.1111N116 I119 A193 M196N116-R198 PolarHBondContact OD1-NH1 3.09Å; I119-R198 HydrophobicContact CD1-CB 4.23Å; A193-R198 WeakPolarHBondContact CB-O 3.41Å; A193-R198 PolarHBondContact O-N 3Å; M196-R198 HydrophobicContact CB-CB 4.37Å; M196-R198 PolarHBondContact O-N 3.39Å
199F98.1Very high98.3Very high94 Ų9446.7 Ų46.741%0.41223%0.233SC..  trans-102.5124.9172.1-68.7-95.2000109.4F190 A193 V194 H203F190-F199 AromaticContact CD2-CE1 3.81Å; F190-F199 HydrophobicContact CD2-CE1 3.81Å; F190-F199 HydrophobicContact CD2-CZ 4.09Å; F190-F199 AromaticContact CE2-CE1 3.93Å; F190-F199 HydrophobicContact CE2-CE1 3.93Å; F190-F199 AromaticContact CE2-CZ 3.87Å; F190-F199 HydrophobicContact CE2-CZ 3.87Å; A193-F199 HydrophobicContact CB-CD1 3.96Å; A193-F199 HydrophobicContact CB-CE1 3.79Å; A193-F199 HydrophobicContact CB-CE2 4.44Å; A193-F199 HydrophobicContact CB-CG 4.37Å; A193-F199 HydrophobicContact CB-CZ 4.05Å; V194-F199 HydrophobicContact CG2-CE2 4.48Å; V194-F199 HydrophobicContact CG2-CZ 3.75Å; F199-H203 HydrophobicContact CD1-CB 4.39Å; F199-H203 AromaticContact CD1-CD2 3.62Å; F199-H203 AromaticContact CD1-CE1 3.68Å; F199-H203 AromaticContact CD1-CG 3.68Å; F199-H203 AromaticContact CD1-ND1 3.72Å; F199-H203 AromaticContact CD1-NE2 3.63Å; F199-H203 AromaticContact CE1-CE1 3.79Å; F199-H203 AromaticContact CE1-NE2 3.58Å
200S94.6Very high98.3Very high33 Ų3346.7 Ų46.723%0.23123%0.233CC..  trans-71.9154.7174.2690000110.4A202 H203S200-A202 PolarHBondContact O-N 3.3Å; S200-A202 VanDerWaalsContact O-N 3.09Å; S200-H203 VanDerWaalsContact O-CB 3.24Å; S200-H203 WeakPolarHBondContact O-CB 3.45Å; S200-H203 PolarHBondContact O-N 2.79Å; S200-H203 PolarHBondContact OG-N 2.77Å
201P95.1Very high98.3Very high120 Ų12046.3 Ų46.378%0.77923%0.233SC*.THydrogen-bonded Turntrans-57.1-26.1174.8-2635000113.6
202A97.6Very high98.3Very high7 Ų748.9 Ų48.96%0.05825%0.249CC..THydrogen-bonded Turntrans-90.79.417800000113.3L122 Q128 S200 W204 V205L122-A202 HydrophobicContact CD1-CB 3.95Å; L122-A202 HydrophobicContact CD2-CB 4.2Å; Q128-A202 HydrophobicContact CG-CB 3.89Å; S200-A202 PolarHBondContact O-N 3.3Å; S200-A202 VanDerWaalsContact O-N 3.09Å; A202-W204 PolarHBondContact O-N 3.18Å; A202-W204 VanDerWaalsContact O-N 3.08Å; A202-V205 HydrophobicContact CB-CG2 4.24Å; A202-V205 WeakPolarHBondContact O-CB 3.46Å; A202-V205 WeakPolarHBondContact O-CG2 3.36Å; A202-V205 PolarHBondContact O-N 2.86Å
203H98.6Very high98.3Very high18 Ų1848.9 Ų48.98%0.08325%0.249CC..THydrogen-bonded Turntrans-58.3-29.6-174-169.487.4000113.1F199 S200 V205 F206 W207F199-H203 HydrophobicContact CD1-CB 4.39Å; F199-H203 AromaticContact CD1-CD2 3.62Å; F199-H203 AromaticContact CD1-CE1 3.68Å; F199-H203 AromaticContact CD1-CG 3.68Å; F199-H203 AromaticContact CD1-ND1 3.72Å; F199-H203 AromaticContact CD1-NE2 3.63Å; F199-H203 AromaticContact CE1-CE1 3.79Å; F199-H203 AromaticContact CE1-NE2 3.58Å; S200-H203 VanDerWaalsContact O-CB 3.24Å; S200-H203 WeakPolarHBondContact O-CB 3.45Å; S200-H203 PolarHBondContact O-N 2.79Å; S200-H203 PolarHBondContact OG-N 2.77Å; H203-V205 PolarHBondContact O-N 3.38Å; H203-F206 AromaticContact ND1-CD2 3.9Å; H203-F206 WeakPolarHBondContact O-CB 3.34Å; H203-F206 PolarHBondContact O-N 3.27Å; H203-W207 AromaticContact CD2-CD1 3.62Å; H203-W207 AromaticContact CD2-NE1 3.36Å; H203-W207 PolarHBondContact CD2-NE1 3.49Å; H203-W207 AromaticContact NE2-CD1 3.75Å; H203-W207 AromaticContact NE2-NE1 3.08Å; H203-W207 PolarHBondContact NE2-NE1 2.76Å
204W98.7Very high98.3Very high113 Ų11348.9 Ų48.943%0.42825%0.249SC..THydrogen-bonded Turntrans-58-30174.571.9-92.7000113.1Q128 M132 A202 F206 W207 V208Q128-W204 HydrophobicContact CB-CZ2 4.1Å; M132-W204 HydrophobicContact CB-CH2 4.41Å; M132-W204 HydrophobicContact CG-CH2 4.45Å; M132-W204 HydrophobicContact CG-CZ3 4.39Å; M132-W204 HydrophobicContact SD-CZ3 4.24Å; A202-W204 PolarHBondContact O-N 3.18Å; A202-W204 VanDerWaalsContact O-N 3.08Å; W204-F206 PolarHBondContact O-N 3.45Å; W204-W207 PolarHBondContact O-N 3.09Å; W204-V208 HydrophobicContact CE3-CB 4Å; W204-V208 HydrophobicContact CE3-CG2 3.87Å; W204-V208 HydrophobicContact CZ3-CB 4.22Å; W204-V208 HydrophobicContact CZ3-CG1 4.47Å; W204-V208 HydrophobicContact CZ3-CG2 4.45Å; W204-V208 WeakPolarHBondContact O-CG2 3.37Å; W204-V208 PolarHBondContact O-N 3.5Å
205V98.8Very high98.3Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-58.8-37.8176.4174.60000110.6Q128 A131 M132 E135 A202 H203 W207 G209 P210Q128-V205 HydrophobicContact CB-CG2 4.17Å; A131-V205 HydrophobicContact CB-CG1 3.98Å; M132-V205 HydrophobicContact CB-CG1 4.15Å; E135-V205 HydrophobicContact CG-CG1 4.31Å; A202-V205 HydrophobicContact CB-CG2 4.24Å; A202-V205 WeakPolarHBondContact O-CB 3.46Å; A202-V205 WeakPolarHBondContact O-CG2 3.36Å; A202-V205 PolarHBondContact O-N 2.86Å; H203-V205 PolarHBondContact O-N 3.38Å; V205-W207 PolarHBondContact O-N 2.99Å; V205-G209 WeakPolarHBondContact O-CA 3.36Å; V205-G209 PolarHBondContact O-N 3.43Å; V205-P210 WeakPolarHBondContact O-CD 3.18Å
206F98.8Very high98.3Very high1 Ų149.7 Ų49.70%0.00425%0.251CS..Hα-helixtrans-76.7-7.6-178.4-47.9-39000113.6N120 L122 T180 S183 S189 H203 W204 P210N120-F206 HydrophobicContact CB-CD1 4.28Å; N120-F206 HydrophobicContact CB-CD2 3.88Å; N120-F206 HydrophobicContact CB-CE1 4.03Å; N120-F206 HydrophobicContact CB-CE2 3.58Å; N120-F206 HydrophobicContact CB-CG 4.23Å; N120-F206 HydrophobicContact CB-CZ 3.67Å; N120-F206 WeakPolarHBondContact O-CE2 3.32Å; L122-F206 HydrophobicContact CD1-CE1 4.15Å; L122-F206 HydrophobicContact CD1-CZ 4.17Å; T180-F206 HydrophobicContact CG2-CE1 4.13Å; S183-F206 PolarHBondContact OG-O 3.01Å; S189-F206 WeakPolarHBondContact OG-CB 3.47Å; H203-F206 AromaticContact ND1-CD2 3.9Å; H203-F206 WeakPolarHBondContact O-CB 3.34Å; H203-F206 PolarHBondContact O-N 3.27Å; W204-F206 PolarHBondContact O-N 3.45Å; F206-P210 WeakPolarHBondContact O-CG 3.48Å
207W98.9Very high98.3Very high70 Ų7047.6 Ų47.627%0.26524%0.24SC..Hα-helixtrans-100.1-57.9170.6-72.880.7000110.7L95 P186 F190 H203 W204 V205 I211L95-W207 HydrophobicContact CD1-CH2 4.1Å; L95-W207 HydrophobicContact CD2-CH2 3.6Å; L95-W207 HydrophobicContact CD2-CZ2 4.13Å; P186-W207 HydrophobicContact CB-CD2 3.75Å; P186-W207 HydrophobicContact CB-CE3 3.63Å; P186-W207 HydrophobicContact CB-CG 4.29Å; P186-W207 HydrophobicContact CB-CH2 4.28Å; P186-W207 HydrophobicContact CB-CZ2 4.37Å; P186-W207 HydrophobicContact CB-CZ3 3.91Å; P186-W207 HydrophobicContact CG-CE3 4.3Å; F190-W207 HydrophobicContact CB-CZ2 4Å; F190-W207 AromaticContact CD2-CZ2 3.82Å; F190-W207 HydrophobicContact CD2-CZ2 3.82Å; F190-W207 HydrophobicContact CE2-CZ2 4.49Å; F190-W207 AromaticContact CG-CZ2 3.97Å; F190-W207 HydrophobicContact CG-CZ2 3.97Å; H203-W207 AromaticContact CD2-CD1 3.62Å; H203-W207 AromaticContact CD2-NE1 3.36Å; H203-W207 PolarHBondContact CD2-NE1 3.49Å; H203-W207 AromaticContact NE2-CD1 3.75Å; H203-W207 AromaticContact NE2-NE1 3.08Å; H203-W207 PolarHBondContact NE2-NE1 2.76Å; W204-W207 PolarHBondContact O-N 3.09Å; V205-W207 PolarHBondContact O-N 2.99Å; W207-I211 HydrophobicContact CE3-CD1 4.34Å; W207-I211 WeakPolarHBondContact O-CB 3.33Å; W207-I211 WeakPolarHBondContact O-CD1 3.25Å; W207-I211 WeakPolarHBondContact O-CG1 3.44Å; W207-I211 PolarHBondContact O-N 3.27Å; W207-I211 VanDerWaalsContact O-N 3.11Å
208V98.9Very high98.3Very high63 Ų6340.8 Ų40.838%0.38220%0.204SC..Hα-helixtrans-68.9-43.2-172.5-177.60000111.1M132 W204 I211 V212M132-V208 HydrophobicContact CE-CB 4.4Å; M132-V208 HydrophobicContact CE-CG1 3.74Å; M132-V208 HydrophobicContact SD-CB 4.14Å; M132-V208 HydrophobicContact SD-CG1 4.04Å; W204-V208 HydrophobicContact CE3-CB 4Å; W204-V208 HydrophobicContact CE3-CG2 3.87Å; W204-V208 HydrophobicContact CZ3-CB 4.22Å; W204-V208 HydrophobicContact CZ3-CG1 4.47Å; W204-V208 HydrophobicContact CZ3-CG2 4.45Å; W204-V208 WeakPolarHBondContact O-CG2 3.37Å; W204-V208 PolarHBondContact O-N 3.5Å; V208-I211 PolarHBondContact O-N 3.47Å; V208-V212 HydrophobicContact CG1-CG2 3.84Å; V208-V212 VanDerWaalsContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CB 3.19Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 3.37Å
209G98.9Very high98.4Very high0 Ų037.6 Ų37.60%020%0.196CC..Hα-helixtrans-54.6-60.5178.600000111.8M132 L136 V205 I211 V212 G213M132-G209 VanDerWaalsContact CE-CA 3.43Å; M132-G209 WeakPolarHBondContact SD-CA 3.47Å; M132-G209 PolarHBondContact SD-N 3.42Å; L136-G209 WeakPolarHBondContact CA-O 3.36Å; V205-G209 WeakPolarHBondContact O-CA 3.36Å; V205-G209 PolarHBondContact O-N 3.43Å; G209-I211 PolarHBondContact O-N 3.08Å; G209-V212 PolarHBondContact O-N 2.87Å; G209-G213 PolarHBondContact O-N 3.36Å
210P98.9Very high98.4Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-60.3-45.1179.6-29.539.5000114.4A71 E135 T139 P186 V205 F206 G213 A214A71-P210 HydrophobicContact CB-CB 3.83Å; E135-P210 HydrophobicContact CB-CG 4.43Å; T139-P210 HydrophobicContact CG2-CB 3.97Å; T139-P210 WeakPolarHBondContact CG2-O 3.44Å; T139-P210 VanDerWaalsContact OG1-CA 3.27Å; T139-P210 WeakPolarHBondContact OG1-CA 3.44Å; T139-P210 WeakPolarHBondContact OG1-CB 3.38Å; P186-P210 HydrophobicContact CG-CB 4.37Å; V205-P210 WeakPolarHBondContact O-CD 3.18Å; F206-P210 WeakPolarHBondContact O-CG 3.48Å; P210-G213 PolarHBondContact O-N 3.39Å; P210-A214 WeakPolarHBondContact O-CB 3.02Å; P210-A214 PolarHBondContact O-N 3.37Å
211I98.9Very high98.6Very high43 Ų4334.6 Ų34.622%0.22118%0.181CC..Hα-helixtrans-64.1-46.4-178.1-68168.8000110.7A71 L74 P186 W207 V208 G209 A214 V215A71-I211 HydrophobicContact CB-CG1 4.17Å; L74-I211 HydrophobicContact CD1-CD1 3.88Å; L74-I211 HydrophobicContact CD1-CG1 4.11Å; L74-I211 HydrophobicContact CD1-CG2 4.34Å; P186-I211 HydrophobicContact CG-CD1 4.37Å; P186-I211 HydrophobicContact CG-CG1 4.21Å; W207-I211 HydrophobicContact CE3-CD1 4.34Å; W207-I211 WeakPolarHBondContact O-CB 3.33Å; W207-I211 WeakPolarHBondContact O-CD1 3.25Å; W207-I211 WeakPolarHBondContact O-CG1 3.44Å; W207-I211 PolarHBondContact O-N 3.27Å; W207-I211 VanDerWaalsContact O-N 3.11Å; V208-I211 PolarHBondContact O-N 3.47Å; G209-I211 PolarHBondContact O-N 3.08Å; I211-A214 PolarHBondContact O-N 3.29Å; I211-V215 HydrophobicContact CG2-CG2 4.25Å; I211-V215 VanDerWaalsContact O-CB 3.31Å; I211-V215 WeakPolarHBondContact O-CB 3.18Å; I211-V215 VanDerWaalsContact O-CG2 3.23Å; I211-V215 WeakPolarHBondContact O-CG2 3.39Å; I211-V215 PolarHBondContact O-N 2.99Å
212V98.9Very high98.8Very high53 Ų5329.4 Ų29.432%0.32115%0.146SC..Hα-helixtrans-63-45.8178.8173.30000110.5M132 L136 V208 G209 A214 V215 L216M132-V212 HydrophobicContact CE-CB 4.13Å; M132-V212 HydrophobicContact CE-CG2 4.21Å; L136-V212 HydrophobicContact CD1-CB 4.42Å; L136-V212 HydrophobicContact CD1-CG1 3.65Å; L136-V212 HydrophobicContact CG-CG1 4.25Å; V208-V212 HydrophobicContact CG1-CG2 3.84Å; V208-V212 VanDerWaalsContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CB 3.19Å; V208-V212 WeakPolarHBondContact O-CG2 3.26Å; V208-V212 PolarHBondContact O-N 3.37Å; G209-V212 PolarHBondContact O-N 2.87Å; V212-A214 PolarHBondContact O-N 3.35Å; V212-V215 PolarHBondContact O-N 3.02Å; V212-L216 HydrophobicContact CG1-CD1 3.85Å; V212-L216 HydrophobicContact CG1-CG 4.26Å; V212-L216 WeakPolarHBondContact O-CB 3.37Å; V212-L216 VanDerWaalsContact O-CG 3.26Å; V212-L216 WeakPolarHBondContact O-CG 3.42Å; V212-L216 PolarHBondContact O-N 3.36Å
213G98.9Very high98.8Very high0 Ų033.4 Ų33.40%016%0.16CC..Hα-helixtrans-58.4-48.5177.400000112.7L136 F140 G209 P210 L216 A217L136-G213 WeakPolarHBondContact O-CA 3.42Å; F140-G213 WeakPolarHBondContact CA-O 3.19Å; F140-G213 WeakPolarHBondContact CD2-O 3.34Å; G209-G213 PolarHBondContact O-N 3.36Å; P210-G213 PolarHBondContact O-N 3.39Å; G213-L216 PolarHBondContact O-N 2.77Å; G213-A217 PolarHBondContact O-N 3.36Å; G213-A217 VanDerWaalsContact O-N 3.1Å
214A98.9Very high98.7Very high0 Ų038.4 Ų38.40%019%0.187CC..Hα-helixtrans-65.3-41.8179.400000112.3A71 I72 A75 T139 A143 P210 I211 V212 A217 A218A71-A214 HydrophobicContact CB-CB 4.02Å; A71-A214 WeakPolarHBondContact O-CB 3.5Å; I72-A214 HydrophobicContact CD1-CB 4.26Å; A75-A214 VanDerWaalsContact CB-C 3.47Å; A75-A214 HydrophobicContact CB-CB 3.63Å; A75-A214 VanDerWaalsContact CB-O 3.3Å; A75-A214 WeakPolarHBondContact CB-O 3.32Å; T139-A214 HydrophobicContact CG2-CB 4.01Å; A143-A214 HydrophobicContact CB-CB 4.1Å; P210-A214 WeakPolarHBondContact O-CB 3.02Å; P210-A214 PolarHBondContact O-N 3.37Å; I211-A214 PolarHBondContact O-N 3.29Å; V212-A214 PolarHBondContact O-N 3.35Å; A214-A217 WeakPolarHBondContact O-CB 3.37Å; A214-A217 PolarHBondContact O-N 3.21Å; A214-A218 PolarHBondContact O-N 3.37Å
215V98.9Very high98.7Very high32 Ų3237.6 Ų37.619%0.19419%0.19CC..Hα-helixtrans-64.7-43.2177.7166.10000111.5V78 I211 V212 A217 A218 I219V78-V215 HydrophobicContact CG1-CG1 4.1Å; V78-V215 HydrophobicContact CG2-CG1 4.44Å; V78-V215 HydrophobicContact CG2-CG2 4.1Å; I211-V215 HydrophobicContact CG2-CG2 4.25Å; I211-V215 VanDerWaalsContact O-CB 3.31Å; I211-V215 WeakPolarHBondContact O-CB 3.18Å; I211-V215 VanDerWaalsContact O-CG2 3.23Å; I211-V215 WeakPolarHBondContact O-CG2 3.39Å; I211-V215 PolarHBondContact O-N 2.99Å; V212-V215 PolarHBondContact O-N 3.02Å; V215-A217 VanDerWaalsContact C-N 3.29Å; V215-A217 PolarHBondContact O-N 3.03Å; V215-A218 PolarHBondContact O-N 2.87Å; V215-A218 VanDerWaalsContact O-N 3.14Å; V215-I219 HydrophobicContact CG1-CD1 3.86Å; V215-I219 HydrophobicContact CG1-CG1 4.41Å; V215-I219 WeakPolarHBondContact O-CG1 3.36Å; V215-I219 PolarHBondContact O-N 3.48Å
216L98.9Very high98.6Very high77 Ų7742.5 Ų42.540%0.40321%0.212SC..Hα-helixtrans-61-39.8175.7-72.3174.1000111.7L136 F140 V212 G213 I219 L220L136-L216 HydrophobicContact CD1-CD1 4.23Å; L136-L216 HydrophobicContact CD2-CD1 4.29Å; L136-L216 HydrophobicContact CG-CD1 4.47Å; F140-L216 HydrophobicContact CD2-CB 3.98Å; F140-L216 HydrophobicContact CE2-CB 4.18Å; V212-L216 HydrophobicContact CG1-CD1 3.85Å; V212-L216 HydrophobicContact CG1-CG 4.26Å; V212-L216 WeakPolarHBondContact O-CB 3.37Å; V212-L216 VanDerWaalsContact O-CG 3.26Å; V212-L216 WeakPolarHBondContact O-CG 3.42Å; V212-L216 PolarHBondContact O-N 3.36Å; G213-L216 PolarHBondContact O-N 2.77Å; L216-I219 PolarHBondContact O-N 3.06Å; L216-L220 WeakPolarHBondContact O-CB 3.26Å; L216-L220 PolarHBondContact O-N 3.42Å
217A98.9Very high98.5Very high0 Ų046.1 Ų46.10%024%0.235CC..Hα-helixtrans-63.8-40.2173.900000112F140 A143 L144 F147 G213 A214 V215 L220 Y221F140-A217 HydrophobicContact CD2-CB 3.67Å; F140-A217 HydrophobicContact CE2-CB 3.94Å; F140-A217 HydrophobicContact CG-CB 4.23Å; F140-A217 WeakPolarHBondContact O-CB 3.42Å; A143-A217 HydrophobicContact CB-CB 3.54Å; L144-A217 HydrophobicContact CD2-CB 4.12Å; L144-A217 HydrophobicContact CG-CB 3.86Å; F147-A217 HydrophobicContact CE2-CB 4.09Å; G213-A217 PolarHBondContact O-N 3.36Å; G213-A217 VanDerWaalsContact O-N 3.1Å; A214-A217 WeakPolarHBondContact O-CB 3.37Å; A214-A217 PolarHBondContact O-N 3.21Å; V215-A217 VanDerWaalsContact C-N 3.29Å; V215-A217 PolarHBondContact O-N 3.03Å; A217-L220 PolarHBondContact O-N 3.05Å; A217-Y221 VanDerWaalsContact O-CB 3.28Å; A217-Y221 WeakPolarHBondContact O-CB 3.47Å; A217-Y221 PolarHBondContact O-N 3.14Å
218A98.8Very high98.2Very high0 Ų044.8 Ų44.80%023%0.233CC..Hα-helixtrans-66-42.2177.300000111.6A75 F147 A214 V215 Y221 F222A75-A218 HydrophobicContact CB-CB 4.01Å; A75-A218 WeakPolarHBondContact O-CB 3.46Å; F147-A218 HydrophobicContact CE2-CB 3.8Å; F147-A218 HydrophobicContact CZ-CB 4.02Å; A214-A218 PolarHBondContact O-N 3.37Å; V215-A218 PolarHBondContact O-N 2.87Å; V215-A218 VanDerWaalsContact O-N 3.14Å; A218-Y221 PolarHBondContact O-N 3.04Å; A218-F222 HydrophobicContact CB-CD2 3.99Å; A218-F222 HydrophobicContact CB-CE2 4.29Å; A218-F222 WeakPolarHBondContact O-CB 3.37Å; A218-F222 WeakPolarHBondContact O-CD2 3.3Å; A218-F222 PolarHBondContact O-N 3.26Å
219I98.8Very high97.9Very high65 Ų6547.4 Ų47.433%0.33325%0.254SS..Hα-helixtrans-60.8-48.8176.1-67.9166.2000110.4V78 V215 L216 Y221 Y223 L224V78-I219 HydrophobicContact CG1-CG1 4.28Å; V215-I219 HydrophobicContact CG1-CD1 3.86Å; V215-I219 HydrophobicContact CG1-CG1 4.41Å; V215-I219 WeakPolarHBondContact O-CG1 3.36Å; V215-I219 PolarHBondContact O-N 3.48Å; L216-I219 PolarHBondContact O-N 3.06Å; I219-Y221 PolarHBondContact O-N 3.11Å; I219-Y223 HydrophobicContact CG1-CD2 4.49Å; I219-Y223 WeakPolarHBondContact O-CB 3.43Å; I219-Y223 PolarHBondContact O-N 2.76Å; I219-Y223 VanDerWaalsContact O-N 3.14Å; I219-L224 PolarHBondContact O-N 3.48Å
220L98.8Very high97.6Very high50 Ų5048.7 Ų48.726%0.26226%0.261SS..Iπ-helixtrans-59.1-49.6177.7179.463.3000111.3F140 L144 L216 A217 L224 L225F140-L220 HydrophobicContact CE2-CD2 4.31Å; F140-L220 HydrophobicContact CZ-CD2 3.7Å; L144-L220 HydrophobicContact CD1-CD2 4.3Å; L144-L220 HydrophobicContact CD2-CD2 4.31Å; L216-L220 WeakPolarHBondContact O-CB 3.26Å; L216-L220 PolarHBondContact O-N 3.42Å; A217-L220 PolarHBondContact O-N 3.05Å; L220-L224 HydrophobicContact CD1-CB 4.25Å; L220-L224 HydrophobicContact CD1-CD1 4.07Å; L220-L224 WeakPolarHBondContact O-CB 3.24Å; L220-L224 PolarHBondContact O-N 2.99Å; L220-L225 HydrophobicContact CD1-CD1 4.04Å; L220-L225 HydrophobicContact CD1-CD2 4.33Å; L220-L225 HydrophobicContact CD1-CG 3.9Å; L220-L225 HydrophobicContact CD2-CD1 4.3Å; L220-L225 HydrophobicContact CG-CD1 3.79Å; L220-L225 HydrophobicContact CG-CG 4.09Å; L220-L225 WeakPolarHBondContact O-CG 3.45Å; L220-L225 PolarHBondContact O-N 3.37Å
221Y98.8Very high97.3Very high15 Ų1551 Ų516%0.05928%0.277CS..Iπ-helixtrans-72-53.3-173.5-165.7-92.1000112.9L144 F147 A148 D151 A217 A218 I219 F226L144-Y221 HydrophobicContact CD2-CD2 4.24Å; F147-Y221 HydrophobicContact CB-CD1 3.56Å; F147-Y221 HydrophobicContact CB-CD2 4.12Å; F147-Y221 HydrophobicContact CB-CE1 3.79Å; F147-Y221 HydrophobicContact CB-CE2 4.35Å; F147-Y221 HydrophobicContact CB-CG 3.74Å; F147-Y221 HydrophobicContact CD2-CG 4.25Å; F147-Y221 HydrophobicContact CG-CD1 4.36Å; F147-Y221 HydrophobicContact CG-CG 4.44Å; A148-Y221 WeakPolarHBondContact CA-OH 3.16Å; A148-Y221 HydrophobicContact CB-CE2 3.91Å; D151-Y221 HydrophobicContact CB-CE1 4.22Å; D151-Y221 VanDerWaalsContact CB-OH 3.26Å; D151-Y221 WeakPolarHBondContact CB-OH 3.37Å; D151-Y221 WeakPolarHBondContact OD2-CE1 3.15Å; D151-Y221 PolarHBondContact OD2-OH 3.2Å; A217-Y221 VanDerWaalsContact O-CB 3.28Å; A217-Y221 WeakPolarHBondContact O-CB 3.47Å; A217-Y221 PolarHBondContact O-N 3.14Å; A218-Y221 PolarHBondContact O-N 3.04Å; I219-Y221 PolarHBondContact O-N 3.11Å; Y221-F226 AromaticContact CD2-CD2 3.96Å; Y221-F226 HydrophobicContact CD2-CD2 3.96Å; Y221-F226 HydrophobicContact CD2-CE2 4.35Å; Y221-F226 HydrophobicContact CE1-CD2 4.33Å; Y221-F226 AromaticContact CE2-CD2 3.58Å; Y221-F226 HydrophobicContact CE2-CD2 3.58Å; Y221-F226 AromaticContact CE2-CE2 3.84Å; Y221-F226 HydrophobicContact CE2-CE2 3.84Å; Y221-F226 HydrophobicContact CG-CD2 4.46Å; Y221-F226 AromaticContact CZ-CD2 3.78Å; Y221-F226 CarbonylContact O-C 3.57Å; Y221-F226 WeakPolarHBondContact O-CA 2.98Å; Y221-F226 PolarHBondContact O-N 3.11Å
222F98.4Very high97.1Very high11 Ų1155.7 Ų55.75%0.04830%0.302CS..Iπ-helixtrans-87.1-14.9-170.1-62.7-66.4000114.6L76 Q81 F147 A218 P227L76-F222 HydrophobicContact CD2-CE2 4.33Å; L76-F222 HydrophobicContact CD2-CZ 4.17Å; Q81-F222 VanDerWaalsContact CD-CE1 3.46Å; Q81-F222 HydrophobicContact CG-CD1 4.2Å; Q81-F222 HydrophobicContact CG-CD2 4.4Å; Q81-F222 HydrophobicContact CG-CE1 3.71Å; Q81-F222 HydrophobicContact CG-CE2 3.94Å; Q81-F222 HydrophobicContact CG-CZ 3.57Å; F147-F222 HydrophobicContact CB-CE2 4.3Å; F147-F222 HydrophobicContact CB-CZ 3.92Å; F147-F222 AromaticContact CD1-CE2 3.68Å; F147-F222 HydrophobicContact CD1-CE2 3.68Å; F147-F222 AromaticContact CD1-CZ 3.65Å; F147-F222 HydrophobicContact CD1-CZ 3.65Å; F147-F222 AromaticContact CD2-CE2 3.77Å; F147-F222 HydrophobicContact CD2-CE2 3.77Å; F147-F222 HydrophobicContact CD2-CZ 4.25Å; F147-F222 AromaticContact CE1-CE2 3.91Å; F147-F222 HydrophobicContact CE1-CE2 3.91Å; F147-F222 HydrophobicContact CE1-CZ 4.26Å; F147-F222 AromaticContact CE2-CE2 3.99Å; F147-F222 HydrophobicContact CE2-CE2 3.99Å; F147-F222 AromaticContact CG-CE2 3.63Å; F147-F222 HydrophobicContact CG-CE2 3.63Å; F147-F222 AromaticContact CG-CZ 3.66Å; F147-F222 HydrophobicContact CG-CZ 3.66Å; F147-F222 HydrophobicContact CZ-CE2 4.05Å; A218-F222 HydrophobicContact CB-CD2 3.99Å; A218-F222 HydrophobicContact CB-CE2 4.29Å; A218-F222 WeakPolarHBondContact O-CB 3.37Å; A218-F222 WeakPolarHBondContact O-CD2 3.3Å; A218-F222 PolarHBondContact O-N 3.26Å; F222-P227 VanDerWaalsContact O-CA 3.3Å; F222-P227 WeakPolarHBondContact O-CA 3.47Å
223Y97.8Very high96.9Very high91 Ų9156.6 Ų56.636%0.35731%0.311SS..Iπ-helixtrans-120.5-28.3-179.2-59-55.6000114.5V78 I219V78-Y223 WeakPolarHBondContact O-CE2 3.17Å; V78-Y223 PolarHBondContact O-OH 3.2Å; I219-Y223 HydrophobicContact CG1-CD2 4.49Å; I219-Y223 WeakPolarHBondContact O-CB 3.43Å; I219-Y223 PolarHBondContact O-N 2.76Å; I219-Y223 VanDerWaalsContact O-N 3.14Å
224L98.1Very high96.7Very high123 Ų12358.9 Ų58.964%0.64432%0.321SS*.Iπ-helixtrans-102.9-48.6-177.6-57.1-178.7000112.9I219 L220I219-L224 PolarHBondContact O-N 3.48Å; L220-L224 HydrophobicContact CD1-CB 4.25Å; L220-L224 HydrophobicContact CD1-CD1 4.07Å; L220-L224 WeakPolarHBondContact O-CB 3.24Å; L220-L224 PolarHBondContact O-N 2.99Å
225L98Very high96.5Very high95 Ų9561.4 Ų61.450%0.49733%0.331SS..Iπ-helixtrans-88.2-48.5-174.3-62.6179.7000112.5L220L220-L225 HydrophobicContact CD1-CD1 4.04Å; L220-L225 HydrophobicContact CD1-CD2 4.33Å; L220-L225 HydrophobicContact CD1-CG 3.9Å; L220-L225 HydrophobicContact CD2-CD1 4.3Å; L220-L225 HydrophobicContact CG-CD1 3.79Å; L220-L225 HydrophobicContact CG-CG 4.09Å; L220-L225 WeakPolarHBondContact O-CG 3.45Å; L220-L225 PolarHBondContact O-N 3.37Å
226F97.4Very high96.3Very high104 Ų10462.6 Ų62.646%0.45634%0.338SS..SBendtrans-13466.7-174.2-55.2-75.9000111R153 Y221R153-F226 VanDerWaalsContact CZ-O 3.29Å; R153-F226 PolarHBondContact NH1-O 3.27Å; R153-F226 VanDerWaalsContact NH2-CB 3.35Å; R153-F226 PolarHBondContact NH2-O 3.45Å; Y221-F226 AromaticContact CD2-CD2 3.96Å; Y221-F226 HydrophobicContact CD2-CD2 3.96Å; Y221-F226 HydrophobicContact CD2-CE2 4.35Å; Y221-F226 HydrophobicContact CE1-CD2 4.33Å; Y221-F226 AromaticContact CE2-CD2 3.58Å; Y221-F226 HydrophobicContact CE2-CD2 3.58Å; Y221-F226 AromaticContact CE2-CE2 3.84Å; Y221-F226 HydrophobicContact CE2-CE2 3.84Å; Y221-F226 HydrophobicContact CG-CD2 4.46Å; Y221-F226 AromaticContact CZ-CD2 3.78Å; Y221-F226 CarbonylContact O-C 3.57Å; Y221-F226 WeakPolarHBondContact O-CA 2.98Å; Y221-F226 PolarHBondContact O-N 3.11Å
227P96.3Very high96.1Very high77 Ų7761.4 Ų61.450%0.533%0.332SS..  trans-62.5148.6174.328.3-34.6000112.3R153 F222R153-P227 PolarHBondContact NH1-O 2.79Å; R153-P227 VanDerWaalsContact NH1-O 3.12Å; F222-P227 VanDerWaalsContact O-CA 3.3Å; F222-P227 WeakPolarHBondContact O-CA 3.47Å
228N92.4Very high96Very high41 Ų4162.4 Ų62.422%0.21934%0.337CS..  trans-94.5153.9168.758.813.9000110.7L230 R235N228-L230 HydrophobicContact CB-CG 4.36Å; N228-L230 WeakPolarHBondContact ND2-CD1 3.49Å; N228-L230 PolarHBondContact O-N 3.39Å; N228-R235 PolarHBondContact O-NH2 3.45Å; N228-R235 VanDerWaalsContact O-NH2 3.08Å; N228-R235 PolarHBondContact OD1-NH1 3.25Å; N228-R235 PolarHBondContact OD1-NH2 3.49Å
229S92.4Very high95.8Very high118 Ų11865.9 Ų65.983%0.82536%0.355SS*.  trans-85.719.7-177.455.20000114
230L92.2Very high95.6Very high28 Ų2867.4 Ų67.415%0.14736%0.359CS..  trans-65.6133.9179.5-63178.8000111.1N228 E234 R235 I238 Y243N228-L230 HydrophobicContact CB-CG 4.36Å; N228-L230 WeakPolarHBondContact ND2-CD1 3.49Å; N228-L230 PolarHBondContact O-N 3.39Å; L230-E234 HydrophobicContact CB-CB 4.2Å; L230-E234 HydrophobicContact CD2-CB 4.2Å; L230-R235 HydrophobicContact CB-CG 4.01Å; L230-R235 PolarHBondContact O-NE 3.08Å; L230-I238 HydrophobicContact CD1-CD1 3.4Å; L230-I238 VanDerWaalsContact CD1-CD1 3.4Å; L230-Y243 HydrophobicContact CD2-CE2 4.09Å; L230-Y243 WeakPolarHBondContact CD2-OH 3.14Å
231S93.6Very high95.4Very high48 Ų4866 Ų6634%0.33636%0.356SS..  trans-63.3162.616968.70000111.5S233 E234 R235S231-S233 VanDerWaalsContact C-N 3.27Å; S231-S233 PolarHBondContact O-N 2.88Å; S231-S233 PolarHBondContact OG-OG 2.85Å; S231-E234 WeakPolarHBondContact CB-OE2 3.4Å; S231-E234 PolarHBondContact N-OE2 2.97Å; S231-E234 PolarHBondContact O-N 3.46Å; S231-E234 VanDerWaalsContact OG-CG 3.25Å; S231-E234 WeakPolarHBondContact OG-CG 3.49Å; S231-E234 PolarHBondContact OG-N 3.3Å; S231-E234 PolarHBondContact OG-OE2 3.29Å; S231-R235 WeakPolarHBondContact O-CG 3.33Å; S231-R235 PolarHBondContact O-N 3.47Å; S231-R235 VanDerWaalsContact O-N 3.11Å
232L93.4Very high95.1Very high141 Ų14168.5 Ų68.574%0.73837%0.374SS*.Hα-helixtrans-60-38.3179-176.165.5000112.2R235 V236L232-R235 PolarHBondContact O-N 3.05Å; L232-V236 WeakPolarHBondContact O-CG2 3.19Å; L232-V236 PolarHBondContact O-N 3.37Å
233S94.6Very high94.8Very high73 Ų7371.6 Ų71.651%0.5139%0.386SS..Hα-helixtrans-63.1-47.4176.735.70000111.7S231 R235 V236 D237S231-S233 VanDerWaalsContact C-N 3.27Å; S231-S233 PolarHBondContact O-N 2.88Å; S231-S233 PolarHBondContact OG-OG 2.85Å; S233-R235 VanDerWaalsContact C-N 3.3Å; S233-R235 PolarHBondContact O-N 2.9Å; S233-V236 CarbonylContact O-C 3.46Å; S233-V236 WeakPolarHBondContact O-CA 3.27Å; S233-V236 WeakPolarHBondContact O-CB 3.41Å; S233-V236 PolarHBondContact O-N 2.98Å; S233-D237 VanDerWaalsContact O-CG 3.3Å; S233-D237 PolarHBondContact O-N 3.39Å
234E95Very high94.1Very high47 Ų4774.5 Ų74.522%0.2240%0.402CS..Hα-helixtrans-61.6-39.6179.4-70.9168102.400111.8L230 S231 V236 D237 I238 Y243L230-E234 HydrophobicContact CB-CB 4.2Å; L230-E234 HydrophobicContact CD2-CB 4.2Å; S231-E234 WeakPolarHBondContact CB-OE2 3.4Å; S231-E234 PolarHBondContact N-OE2 2.97Å; S231-E234 PolarHBondContact O-N 3.46Å; S231-E234 VanDerWaalsContact OG-CG 3.25Å; S231-E234 WeakPolarHBondContact OG-CG 3.49Å; S231-E234 PolarHBondContact OG-N 3.3Å; S231-E234 PolarHBondContact OG-OE2 3.29Å; E234-V236 VanDerWaalsContact C-N 3.29Å; E234-V236 PolarHBondContact O-N 3.4Å; E234-D237 PolarHBondContact O-N 2.91Å; E234-D237 VanDerWaalsContact O-N 3.09Å; E234-I238 WeakPolarHBondContact O-CG1 3.43Å; E234-I238 PolarHBondContact O-N 3.33Å; E234-Y243 HydrophobicContact CB-CD2 3.96Å; E234-Y243 HydrophobicContact CB-CE2 3.76Å; E234-Y243 HydrophobicContact CG-CD2 4.21Å; E234-Y243 HydrophobicContact CG-CE2 3.8Å
235R94.6Very high92.9Very high54 Ų5472 Ų7220%0.20439%0.393CS..Hα-helixtrans-59.9-41.5174.6-65.5179.4-176.2-77-1111.8N80 N228 L230 S231 L232 S233 D237 I238 I239N80-R235 PolarHBondContact ND2-O 2.79Å; N80-R235 WeakPolarHBondContact OD1-CA 3.29Å; N80-R235 WeakPolarHBondContact OD1-CB 3.47Å; N80-R235 VanDerWaalsContact OD1-CG 3.29Å; N80-R235 WeakPolarHBondContact OD1-CG 3.36Å; N228-R235 PolarHBondContact O-NH2 3.45Å; N228-R235 VanDerWaalsContact O-NH2 3.08Å; N228-R235 PolarHBondContact OD1-NH1 3.25Å; N228-R235 PolarHBondContact OD1-NH2 3.49Å; L230-R235 HydrophobicContact CB-CG 4.01Å; L230-R235 PolarHBondContact O-NE 3.08Å; S231-R235 WeakPolarHBondContact O-CG 3.33Å; S231-R235 PolarHBondContact O-N 3.47Å; S231-R235 VanDerWaalsContact O-N 3.11Å; L232-R235 PolarHBondContact O-N 3.05Å; S233-R235 VanDerWaalsContact C-N 3.3Å; S233-R235 PolarHBondContact O-N 2.9Å; R235-D237 VanDerWaalsContact C-N 3.32Å; R235-I238 PolarHBondContact O-N 3.39Å; R235-I239 WeakPolarHBondContact O-CG1 3.49Å; R235-I239 PolarHBondContact O-N 3.17Å
236V95.7Very high91.3Very high56 Ų5672.3 Ų72.334%0.33940%0.396SS..Hα-helixtrans-66.2-37.2175.5170.90000110.8L232 S233 E234 I239 K240L232-V236 WeakPolarHBondContact O-CG2 3.19Å; L232-V236 PolarHBondContact O-N 3.37Å; S233-V236 CarbonylContact O-C 3.46Å; S233-V236 WeakPolarHBondContact O-CA 3.27Å; S233-V236 WeakPolarHBondContact O-CB 3.41Å; S233-V236 PolarHBondContact O-N 2.98Å; E234-V236 VanDerWaalsContact C-N 3.29Å; E234-V236 PolarHBondContact O-N 3.4Å; V236-I239 PolarHBondContact O-N 3.46Å; V236-K240 HydrophobicContact CG1-CD 3.97Å; V236-K240 VanDerWaalsContact CG1-CE 3.41Å; V236-K240 HydrophobicContact CG1-CG 4.46Å; V236-K240 WeakPolarHBondContact O-CG 3.17Å; V236-K240 PolarHBondContact O-N 3.43Å
237D95Very high89.2Confident53 Ų5375.5 Ų75.528%0.28341%0.412SS..Hα-helixtrans-68.5-34.3178.2-66.4-31.9000112.3S233 E234 R235 K240 G241 T242 Y243S233-D237 VanDerWaalsContact O-CG 3.3Å; S233-D237 PolarHBondContact O-N 3.39Å; E234-D237 PolarHBondContact O-N 2.91Å; E234-D237 VanDerWaalsContact O-N 3.09Å; R235-D237 VanDerWaalsContact C-N 3.32Å; D237-K240 CarbonylContact O-C 3.57Å; D237-K240 PolarHBondContact O-N 2.57Å; D237-G241 PolarHBondContact O-N 3.01Å; D237-T242 PolarHBondContact O-N 3.1Å; D237-T242 PolarHBondContact O-OG1 3.25Å; D237-T242 PolarHBondContact OD1-OG1 3.17Å; D237-Y243 PolarHBondContact O-N 3.36Å; D237-Y243 VanDerWaalsContact O-N 3.16Å
238I95.1Very high87.1Confident21 Ų2176.9 Ų76.911%0.10842%0.415CS..Hα-helixtrans-61-49170.4-67.9173.4000109.8S83 L230 E234 R235 K240 G241 Y243S83-I238 WeakPolarHBondContact CA-O 3.44Å; S83-I238 VanDerWaalsContact CB-O 3.26Å; S83-I238 WeakPolarHBondContact CB-O 3.3Å; L230-I238 HydrophobicContact CD1-CD1 3.4Å; L230-I238 VanDerWaalsContact CD1-CD1 3.4Å; E234-I238 WeakPolarHBondContact O-CG1 3.43Å; E234-I238 PolarHBondContact O-N 3.33Å; R235-I238 PolarHBondContact O-N 3.39Å; I238-K240 PolarHBondContact O-N 3.08Å; I238-G241 PolarHBondContact O-N 2.94Å; I238-Y243 HydrophobicContact CD1-CD1 4.19Å; I238-Y243 HydrophobicContact CD1-CE1 4.48Å; I238-Y243 HydrophobicContact CD1-CG 4.28Å; I238-Y243 HydrophobicContact CG1-CD1 3.74Å; I238-Y243 HydrophobicContact CG1-CD2 4.14Å; I238-Y243 HydrophobicContact CG1-CE1 4.49Å; I238-Y243 HydrophobicContact CG1-CG 3.53Å
239I96.3Very high85.2Confident72 Ų7282 Ų8237%0.36943%0.431SS..Hα-helixtrans-58.8-38.5180-66170.7000110.9L84 R235 V236 G241L84-I239 HydrophobicContact CB-CG2 4.15Å; L84-I239 PolarHBondContact N-O 3.26Å; R235-I239 WeakPolarHBondContact O-CG1 3.49Å; R235-I239 PolarHBondContact O-N 3.17Å; V236-I239 PolarHBondContact O-N 3.46Å; I239-G241 VanDerWaalsContact C-N 3.31Å
240K94.6Very high83.2Confident98 Ų9882.5 Ų82.543%0.42642%0.421SS..Hα-helixtrans-77.5-10.2176.5-70172.5-178.3168.90113.9M1 V236 D237 I238 T242M1-K240 WeakPolarHBondContact CA-O 3.45Å; M1-K240 HydrophobicContact CG-CB 4.23Å; M1-K240 WeakPolarHBondContact CG-O 3.28Å; M1-K240 PolarHBondContact N-O 3.22Å; V236-K240 HydrophobicContact CG1-CD 3.97Å; V236-K240 VanDerWaalsContact CG1-CE 3.41Å; V236-K240 HydrophobicContact CG1-CG 4.46Å; V236-K240 WeakPolarHBondContact O-CG 3.17Å; V236-K240 PolarHBondContact O-N 3.43Å; D237-K240 CarbonylContact O-C 3.57Å; D237-K240 PolarHBondContact O-N 2.57Å; I238-K240 PolarHBondContact O-N 3.08Å; K240-T242 VanDerWaalsContact C-N 3.33Å; K240-T242 HydrophobicContact CB-CG2 4.34Å
241G93.3Very high81.3Confident19 Ų1987.4 Ų87.420%0.19644%0.443CS..THydrogen-bonded Turntrans59.845.4-171.700000111.6M1 E4 D237 I238 I239M1-G241 PolarHBondContact N-O 2.97Å; M1-G241 VanDerWaalsContact N-O 3.15Å; E4-G241 WeakPolarHBondContact OE2-CA 3.31Å; D237-G241 PolarHBondContact O-N 3.01Å; I238-G241 PolarHBondContact O-N 2.94Å; I239-G241 VanDerWaalsContact C-N 3.31Å
242T93.4Very high79.4Confident69 Ų6988.8 Ų88.842%0.42344%0.444SS..  trans-127.3-1.6174.651.40000112.8M1 D237 K240 E244M1-T242 VanDerWaalsContact N-CG2 3.29Å; D237-T242 PolarHBondContact O-N 3.1Å; D237-T242 PolarHBondContact O-OG1 3.25Å; D237-T242 PolarHBondContact OD1-OG1 3.17Å; K240-T242 VanDerWaalsContact C-N 3.33Å; K240-T242 HydrophobicContact CB-CG2 4.34Å; T242-E244 PolarHBondContact O-N 3.13Å
243Y90.8Very high77.7Confident76 Ų7687.9 Ų87.930%0.29843%0.431SS..  trans-65.4126.4174.6-179.6-106.3000110.3L230 E234 D237 I238 P245L230-Y243 HydrophobicContact CD2-CE2 4.09Å; L230-Y243 WeakPolarHBondContact CD2-OH 3.14Å; E234-Y243 HydrophobicContact CB-CD2 3.96Å; E234-Y243 HydrophobicContact CB-CE2 3.76Å; E234-Y243 HydrophobicContact CG-CD2 4.21Å; E234-Y243 HydrophobicContact CG-CE2 3.8Å; D237-Y243 PolarHBondContact O-N 3.36Å; D237-Y243 VanDerWaalsContact O-N 3.16Å; I238-Y243 HydrophobicContact CD1-CD1 4.19Å; I238-Y243 HydrophobicContact CD1-CE1 4.48Å; I238-Y243 HydrophobicContact CD1-CG 4.28Å; I238-Y243 HydrophobicContact CG1-CD1 3.74Å; I238-Y243 HydrophobicContact CG1-CD2 4.14Å; I238-Y243 HydrophobicContact CG1-CE1 4.49Å; I238-Y243 HydrophobicContact CG1-CG 3.53Å; Y243-P245 HydrophobicContact CE1-CB 3.99Å
244E83.4Confident76Confident152 Ų15289.8 Ų89.871%0.7143%0.432SS*.  trans-115.9116.4170.9-70.9176.4177.900105.6T242T242-E244 PolarHBondContact O-N 3.13Å
245P72.8Confident74.3Confident69 Ų6993.7 Ų93.745%0.44845%0.45SS..  trans-65.1138.7175.825.9-30.8000109.6Y243 E247Y243-P245 HydrophobicContact CE1-CB 3.99Å; P245-E247 PolarHBondContact O-N 3.2Å
246D65.1Low72.6Confident103 Ų10397.3 Ų97.355%0.55146%0.463SS*.  trans-55.5132.2178.5-68.7-37.2000111D248 W249D246-D248 PolarHBondContact O-N 2.88Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D246-W249 PolarHBondContact O-N 3.25Å
247E54.2Low70.9Confident171 Ų171100.8 Ų100.880%0.79947%0.474SS*.Hα-helixtrans-53.3-33.4-177.1-70.3-178.4158.900112.8P245 W249 E250 E251P245-E247 PolarHBondContact O-N 3.2Å; E247-W249 PolarHBondContact O-N 2.78Å; E247-E250 PolarHBondContact O-N 3.38Å; E247-E250 VanDerWaalsContact O-N 3.15Å; E247-E251 PolarHBondContact O-N 2.94Å
248D51Low69.4Low105 Ų105103.7 Ų103.756%0.56148%0.484SS*.Hα-helixtrans-55.4-32.8176.6-97.5-20.7000113.3D246 Q252D246-D248 PolarHBondContact O-N 2.88Å; D246-D248 VanDerWaalsContact O-N 3.11Å; D248-Q252 WeakPolarHBondContact O-CB 3.19Å; D248-Q252 WeakPolarHBondContact O-CG 3.35Å; D248-Q252 PolarHBondContact O-N 3.37Å; D248-Q252 VanDerWaalsContact O-N 3.07Å
249W52.9Low67.9Low150 Ų150106.6 Ų106.657%0.56850%0.503SS*.Hα-helixtrans-76.7-32.3-179.1-78.486.9000112.9D246 E247 R253D246-W249 PolarHBondContact O-N 3.25Å; E247-W249 PolarHBondContact O-N 2.78Å; W249-R253 VanDerWaalsContact O-CB 3.22Å; W249-R253 WeakPolarHBondContact O-CB 3.35Å; W249-R253 PolarHBondContact O-N 3.49Å; W249-R253 VanDerWaalsContact O-N 3.07Å
250E50.5Low66.1Low128 Ų128109.2 Ų109.260%0.59852%0.515SS*.Hα-helixtrans-71.3-42.4175.5-72.6-140.8148.300111.1E247 R253 E254E247-E250 PolarHBondContact O-N 3.38Å; E247-E250 VanDerWaalsContact O-N 3.15Å; E250-R253 WeakPolarHBondContact O-CB 3.41Å; E250-R253 PolarHBondContact O-N 2.98Å; E250-R253 VanDerWaalsContact O-N 3.13Å; E250-E254 PolarHBondContact O-N 3.38Å
251E52.2Low64.7Low130 Ų130111.2 Ų111.261%0.60753%0.526SS*.Hα-helixtrans-60.6-47.5174.2-70.3-168.5159.300111.5E247 R253 E254 E255E247-E251 PolarHBondContact O-N 2.94Å; E251-R253 PolarHBondContact O-N 3.1Å; E251-E254 WeakPolarHBondContact O-CB 3.3Å; E251-E254 PolarHBondContact O-N 2.87Å; E251-E255 WeakPolarHBondContact O-CG 3.41Å; E251-E255 PolarHBondContact O-N 3.25Å
252Q53.8Low63.2Low78 Ų78116.7 Ų116.736%0.36455%0.55SS.*Hα-helixtrans-65.5-23.1175.7-70.8173.219.900113.6D248 R256D248-Q252 WeakPolarHBondContact O-CB 3.19Å; D248-Q252 WeakPolarHBondContact O-CG 3.35Å; D248-Q252 PolarHBondContact O-N 3.37Å; D248-Q252 VanDerWaalsContact O-N 3.07Å; Q252-R256 WeakPolarHBondContact O-CB 3.36Å; Q252-R256 WeakPolarHBondContact O-CG 3.35Å; Q252-R256 PolarHBondContact O-N 3.07Å; Q252-R256 PolarHBondContact O-NE 2.96Å
253R58.2Low61.6Low122 Ų122118.6 Ų118.646%0.4656%0.562SS.*Hα-helixtrans-81.4-39.3177.2-169.8180-175.5-162.81.5111.2W249 E250 E251 R256 K257W249-R253 VanDerWaalsContact O-CB 3.22Å; W249-R253 WeakPolarHBondContact O-CB 3.35Å; W249-R253 PolarHBondContact O-N 3.49Å; W249-R253 VanDerWaalsContact O-N 3.07Å; E250-R253 WeakPolarHBondContact O-CB 3.41Å; E250-R253 PolarHBondContact O-N 2.98Å; E250-R253 VanDerWaalsContact O-N 3.13Å; E251-R253 PolarHBondContact O-N 3.1Å; R253-R256 PolarHBondContact O-N 3.38Å; R253-K257 PolarHBondContact O-N 2.87Å
254E58.4Low59.9Low113 Ų113119.1 Ų119.153%0.52858%0.582SS.*Hα-helixtrans-58.4-47.1168.8-91.7-107.115500111.5E250 E251 K257 K258E250-E254 PolarHBondContact O-N 3.38Å; E251-E254 WeakPolarHBondContact O-CB 3.3Å; E251-E254 PolarHBondContact O-N 2.87Å; E254-K257 PolarHBondContact O-N 3.38Å; E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.02Å; E254-K258 IonicContact OE2-NZ 3.89Å; E254-K258 PolarHBondContact OE2-NZ 3.26Å
255E57.9Low58Low129 Ų129125.5 Ų125.560%0.60360%0.6SS**Hα-helixtrans-62.9-43.8177.1-77.2-172.6149.500112.4E251 K257 K258 T259E251-E255 WeakPolarHBondContact O-CG 3.41Å; E251-E255 PolarHBondContact O-N 3.25Å; E255-K257 PolarHBondContact O-N 2.97Å; E255-K258 PolarHBondContact O-N 3.17Å; E255-T259 WeakPolarHBondContact O-CB 3.42Å; E255-T259 PolarHBondContact O-N 2.88Å; E255-T259 PolarHBondContact O-OG1 3.37Å
256R59.2Low57.3Low129 Ų129128.4 Ų128.449%0.48761%0.607SS.*Hα-helixtrans-63.4-40.3176.2-82.5179.9-83.5-142-1112.6Q252 R253 T259 M260Q252-R256 WeakPolarHBondContact O-CB 3.36Å; Q252-R256 WeakPolarHBondContact O-CG 3.35Å; Q252-R256 PolarHBondContact O-N 3.07Å; Q252-R256 PolarHBondContact O-NE 2.96Å; R253-R256 PolarHBondContact O-N 3.38Å; R256-T259 PolarHBondContact O-N 3.19Å; R256-M260 WeakPolarHBondContact O-CG 3.38Å; R256-M260 PolarHBondContact O-N 3.09Å
257K60.7Low56.9Low129 Ų129129.7 Ų129.756%0.56161%0.61SS**Hα-helixtrans-61.6-47.7173.8-84.9-177.7173.8-179.50112R253 E254 E255 T259 M260 E261R253-K257 PolarHBondContact O-N 2.87Å; E254-K257 PolarHBondContact O-N 3.38Å; E255-K257 PolarHBondContact O-N 2.97Å; K257-T259 VanDerWaalsContact C-N 3.27Å; K257-T259 PolarHBondContact O-N 3.19Å; K257-M260 PolarHBondContact O-N 2.99Å; K257-E261 PolarHBondContact O-N 3.15Å
258K64.3Low57Low114 Ų114127.4 Ų127.450%0.49660%0.6SS.*Hα-helixtrans-58.4-41176.4-78.1168.5178.4148.60111.8E254 E255 E261 L262E254-K258 WeakPolarHBondContact O-CG 3.46Å; E254-K258 PolarHBondContact O-N 3.02Å; E254-K258 IonicContact OE2-NZ 3.89Å; E254-K258 PolarHBondContact OE2-NZ 3.26Å; E255-K258 PolarHBondContact O-N 3.17Å; K258-E261 PolarHBondContact O-N 3.27Å; K258-L262 WeakPolarHBondContact O-CD1 3.4Å; K258-L262 WeakPolarHBondContact O-CG 3.42Å; K258-L262 PolarHBondContact O-N 2.97Å; K258-L262 VanDerWaalsContact O-N 3.13Å
259T63.7Low57.4Low82 Ų82128.7 Ų128.750%0.50360%0.602SS.*Hα-helixtrans-66.4-42179.5-520000111.6E255 R256 K257 L262 T263E255-T259 WeakPolarHBondContact O-CB 3.42Å; E255-T259 PolarHBondContact O-N 2.88Å; E255-T259 PolarHBondContact O-OG1 3.37Å; R256-T259 PolarHBondContact O-N 3.19Å; K257-T259 VanDerWaalsContact C-N 3.27Å; K257-T259 PolarHBondContact O-N 3.19Å; T259-L262 PolarHBondContact O-N 3.21Å; T259-T263 PolarHBondContact O-N 3.15Å; T259-T263 VanDerWaalsContact O-N 3.13Å; T259-T263 PolarHBondContact O-OG1 2.99Å; T259-T263 VanDerWaalsContact O-OG1 3.13Å
260M56.9Low57.6Low127 Ų127127.4 Ų127.463%0.62660%0.604SS**Hα-helixtrans-65.4-39.2176.9-74-179.867.200112.8R256 K257 L262 T263 A264R256-M260 WeakPolarHBondContact O-CG 3.38Å; R256-M260 PolarHBondContact O-N 3.09Å; K257-M260 PolarHBondContact O-N 2.99Å; M260-L262 VanDerWaalsContact C-N 3.31Å; M260-L262 PolarHBondContact O-N 3.23Å; M260-T263 WeakPolarHBondContact CA-OG1 3.45Å; M260-T263 PolarHBondContact O-N 3.44Å; M260-T263 PolarHBondContact O-OG1 3.49Å; M260-A264 WeakPolarHBondContact O-CB 3.4Å; M260-A264 PolarHBondContact O-N 3.36Å; M260-A264 VanDerWaalsContact O-N 3.16Å
261E66.4Low58.1Low141 Ų141127.3 Ų127.366%0.65960%0.604SS**Hα-helixtrans-65.4-32.8175.1-73.4179.7174.600112.8K257 K258K257-E261 PolarHBondContact O-N 3.15Å; K258-E261 PolarHBondContact O-N 3.27Å
262L62.2Low58.5Low134 Ų134127.1 Ų127.170%0.70260%0.604SS**Hα-helixtrans-71-34.8174.9-79.6158.6000112.7K258 T259 M260K258-L262 WeakPolarHBondContact O-CD1 3.4Å; K258-L262 WeakPolarHBondContact O-CG 3.42Å; K258-L262 PolarHBondContact O-N 2.97Å; K258-L262 VanDerWaalsContact O-N 3.13Å; T259-L262 PolarHBondContact O-N 3.21Å; M260-L262 VanDerWaalsContact C-N 3.31Å; M260-L262 PolarHBondContact O-N 3.23Å
263T59.1Low58.9Low108 Ų108130.9 Ų130.966%0.66362%0.623SS**Hα-helixtrans-83.7-10.1178.648.80000114.7T259 M260T259-T263 PolarHBondContact O-N 3.15Å; T259-T263 VanDerWaalsContact O-N 3.13Å; T259-T263 PolarHBondContact O-OG1 2.99Å; T259-T263 VanDerWaalsContact O-OG1 3.13Å; M260-T263 WeakPolarHBondContact CA-OG1 3.45Å; M260-T263 PolarHBondContact O-N 3.44Å; M260-T263 PolarHBondContact O-OG1 3.49Å
264A54.3Low58.9Low88 Ų88131.7 Ų131.773%0.72764%0.636SS**THydrogen-bonded Turntrans-94.64.1-179.900000113.8M260M260-A264 WeakPolarHBondContact O-CB 3.4Å; M260-A264 PolarHBondContact O-N 3.36Å; M260-A264 VanDerWaalsContact O-N 3.16Å
265R44.5Very low59Low286 Ų286133.4 Ų133.4100%1.07965%0.646SS**  trans-101.70169.9-70-175.7178-171.10.5110.3

Retrieved 265 of 265 residues in 60.5 ms (Link to these results)

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