A0A096NKG7_PAPAN Loading...

Translocator protein

AlphaFold DB (G7N447), UniProt , Accession A0A096NKG7, Species PAPAN (Papio anubis, Olive baboon), Gene TSPO, Length 169 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.1Very low47.3Very low243 Ų24383.2 Ų83.2100%1.19747%0.473SS*.  0103.10-75.1167.4173.400107.3
2A39.7Very low47.7Very low78 Ų7880 Ų8065%0.64546%0.456SS*.  trans-68133.2179.600000108.8V6A2-V6 HydrophobicContact CB-CB 4.34Å; A2-V6 HydrophobicContact CB-CG1 4.43Å; A2-V6 HydrophobicContact CB-CG2 4.47Å
3P44.4Very low48.3Very low53 Ų5381.7 Ų81.734%0.34446%0.462SS..  trans-55145.3178.5-22.728.1000111.7W5 V6P3-W5 VanDerWaalsContact CB-CD1 3.47Å; P3-W5 HydrophobicContact CB-CD2 3.94Å; P3-W5 HydrophobicContact CB-CG 4.03Å; P3-W5 HydrophobicContact CB-CZ2 3.93Å; P3-W5 HydrophobicContact CG-CZ2 3.83Å; P3-W5 PolarHBondContact O-N 2.67Å; P3-V6 HydrophobicContact CB-CG2 4.17Å; P3-V6 HydrophobicContact CG-CG2 4.18Å; P3-V6 VanDerWaalsContact O-CB 3.3Å; P3-V6 WeakPolarHBondContact O-CB 3.43Å; P3-V6 WeakPolarHBondContact O-CG2 3.08Å; P3-V6 PolarHBondContact O-N 3.44Å
4P50.1Low48.8Very low63 Ų6377.9 Ų77.941%0.40945%0.446SS..THydrogen-bonded Turntrans-62.5-14.6-173.420.5-31000114.8W68P4-W68 HydrophobicContact CB-CH2 3.76Å; P4-W68 HydrophobicContact CB-CZ2 3.17Å; P4-W68 HydrophobicContact CG-CH2 3.68Å; P4-W68 HydrophobicContact CG-CZ2 3.56Å
5W48.8Very low49.2Very low151 Ų15172.7 Ų72.757%0.57242%0.417SS*.Hα-helixtrans-81-15173.350.2-95.5000113.9P3 A8 M9P3-W5 VanDerWaalsContact CB-CD1 3.47Å; P3-W5 HydrophobicContact CB-CD2 3.94Å; P3-W5 HydrophobicContact CB-CG 4.03Å; P3-W5 HydrophobicContact CB-CZ2 3.93Å; P3-W5 HydrophobicContact CG-CZ2 3.83Å; P3-W5 PolarHBondContact O-N 2.67Å; W5-A8 PolarHBondContact O-N 3.15Å; W5-M9 HydrophobicContact CD2-SD 4.35Å; W5-M9 HydrophobicContact CE3-CG 4.37Å; W5-M9 HydrophobicContact CE3-SD 3.26Å; W5-M9 HydrophobicContact CZ3-CE 4.48Å; W5-M9 HydrophobicContact CZ3-SD 3.59Å; W5-M9 VanDerWaalsContact CZ3-SD 3.59Å; W5-M9 VanDerWaalsContact O-CB 3.27Å; W5-M9 WeakPolarHBondContact O-CB 3.46Å; W5-M9 VanDerWaalsContact O-CG 3.29Å; W5-M9 WeakPolarHBondContact O-CG 3.33Å; W5-M9 PolarHBondContact O-N 3.49Å
6V48.5Very low49.6Very low64 Ų6471.8 Ų71.839%0.38842%0.416SS..Hα-helixtrans-65.3-47179.5175.70000112.7A2 P3 G10A2-V6 HydrophobicContact CB-CB 4.34Å; A2-V6 HydrophobicContact CB-CG1 4.43Å; A2-V6 HydrophobicContact CB-CG2 4.47Å; P3-V6 HydrophobicContact CB-CG2 4.17Å; P3-V6 HydrophobicContact CG-CG2 4.18Å; P3-V6 VanDerWaalsContact O-CB 3.3Å; P3-V6 WeakPolarHBondContact O-CB 3.43Å; P3-V6 WeakPolarHBondContact O-CG2 3.08Å; P3-V6 PolarHBondContact O-N 3.44Å; V6-G10 PolarHBondContact O-N 3.47Å
7P51.8Low50.1Low38 Ų3873.2 Ų73.225%0.24742%0.421CS..Hα-helixtrans-65-43.4171.320.1-28.9000111.5M9 G10 F11 F74P7-M9 VanDerWaalsContact C-N 3.31Å; P7-M9 PolarHBondContact O-N 3.44Å; P7-G10 CarbonylContact O-C 3.36Å; P7-G10 WeakPolarHBondContact O-CA 3.37Å; P7-G10 PolarHBondContact O-N 3.2Å; P7-F11 VanDerWaalsContact C-CD2 3.48Å; P7-F11 HydrophobicContact CB-CD2 4.2Å; P7-F11 HydrophobicContact CB-CE2 3.96Å; P7-F11 WeakPolarHBondContact O-CB 3.44Å; P7-F11 WeakPolarHBondContact O-CD2 3.36Å; P7-F11 WeakPolarHBondContact O-CG 3.44Å; P7-F11 PolarHBondContact O-N 3.06Å; P7-F74 HydrophobicContact CB-CE2 4.33Å; P7-F74 HydrophobicContact CB-CZ 4.47Å; P7-F74 HydrophobicContact CG-CE2 3.75Å; P7-F74 HydrophobicContact CG-CZ 4.33Å
8A47.8Very low50.4Low32 Ų3269.4 Ų69.426%0.26440%0.401SS..Hα-helixtrans-59.1-38.4177.900000113.2W5 F11 T12W5-A8 PolarHBondContact O-N 3.15Å; A8-F11 PolarHBondContact O-N 3.4Å; A8-T12 PolarHBondContact O-N 3.24Å; A8-T12 PolarHBondContact O-OG1 2.84Å
9M48.8Very low50.8Low97 Ų9767.9 Ų67.948%0.47839%0.394SS..Hα-helixtrans-69.9-39.2172.8-77.8-178.76700112W5 P7 F11 T12 L13W5-M9 HydrophobicContact CD2-SD 4.35Å; W5-M9 HydrophobicContact CE3-CG 4.37Å; W5-M9 HydrophobicContact CE3-SD 3.26Å; W5-M9 HydrophobicContact CZ3-CE 4.48Å; W5-M9 HydrophobicContact CZ3-SD 3.59Å; W5-M9 VanDerWaalsContact CZ3-SD 3.59Å; W5-M9 VanDerWaalsContact O-CB 3.27Å; W5-M9 WeakPolarHBondContact O-CB 3.46Å; W5-M9 VanDerWaalsContact O-CG 3.29Å; W5-M9 WeakPolarHBondContact O-CG 3.33Å; W5-M9 PolarHBondContact O-N 3.49Å; P7-M9 VanDerWaalsContact C-N 3.31Å; P7-M9 PolarHBondContact O-N 3.44Å; M9-F11 VanDerWaalsContact C-N 3.29Å; M9-F11 PolarHBondContact O-N 3.4Å; M9-T12 WeakPolarHBondContact CA-OG1 3.48Å; M9-T12 PolarHBondContact O-N 3.05Å; M9-T12 PolarHBondContact O-OG1 2.77Å; M9-L13 VanDerWaalsContact O-CB 3.29Å; M9-L13 WeakPolarHBondContact O-CB 3.45Å; M9-L13 WeakPolarHBondContact O-CD1 3.46Å; M9-L13 VanDerWaalsContact O-CG 3.27Å; M9-L13 WeakPolarHBondContact O-CG 3.46Å; M9-L13 PolarHBondContact O-N 3.27Å
10G50.3Low51.1Low40 Ų4071 Ų7141%0.41240%0.403SS..Hα-helixtrans-59.4-40.5170.500000112.5V6 P7 L13 A14V6-G10 PolarHBondContact O-N 3.47Å; P7-G10 CarbonylContact O-C 3.36Å; P7-G10 WeakPolarHBondContact O-CA 3.37Å; P7-G10 PolarHBondContact O-N 3.2Å; G10-L13 PolarHBondContact O-N 3.15Å; G10-A14 WeakPolarHBondContact O-CB 2.95Å; G10-A14 PolarHBondContact O-N 3.39Å
11F51.1Low51.4Low56 Ų5671 Ų7125%0.24640%0.404CS..Hα-helixtrans-77.6-15.4178.9-71.6-63.3000114.7P7 A8 M9 P15 L82 Y85 T86P7-F11 VanDerWaalsContact C-CD2 3.48Å; P7-F11 HydrophobicContact CB-CD2 4.2Å; P7-F11 HydrophobicContact CB-CE2 3.96Å; P7-F11 WeakPolarHBondContact O-CB 3.44Å; P7-F11 WeakPolarHBondContact O-CD2 3.36Å; P7-F11 WeakPolarHBondContact O-CG 3.44Å; P7-F11 PolarHBondContact O-N 3.06Å; A8-F11 PolarHBondContact O-N 3.4Å; M9-F11 VanDerWaalsContact C-N 3.29Å; M9-F11 PolarHBondContact O-N 3.4Å; F11-P15 WeakPolarHBondContact O-CD 3.49Å; F11-P15 WeakPolarHBondContact O-CG 3.47Å; F11-L82 HydrophobicContact CD2-CD2 3.62Å; F11-L82 HydrophobicContact CE2-CD2 3.48Å; F11-L82 VanDerWaalsContact CE2-CD2 3.48Å; F11-L82 HydrophobicContact CG-CD2 4.29Å; F11-L82 HydrophobicContact CZ-CD2 3.99Å; F11-Y85 HydrophobicContact CB-CE1 4.19Å; F11-Y85 HydrophobicContact CD1-CD1 4.5Å; F11-Y85 PolarHBondContact O-OH 3.4Å; F11-T86 WeakPolarHBondContact CE1-OG1 3.4Å
12T52.3Low52Low45 Ų4559.7 Ų59.728%0.27635%0.35SS..Hα-helixtrans-93.2-29169.120.80000112.3A8 M9 P15 S16 G61A8-T12 PolarHBondContact O-N 3.24Å; A8-T12 PolarHBondContact O-OG1 2.84Å; M9-T12 WeakPolarHBondContact CA-OG1 3.48Å; M9-T12 PolarHBondContact O-N 3.05Å; M9-T12 PolarHBondContact O-OG1 2.77Å; T12-P15 WeakPolarHBondContact O-CD 3.44Å; T12-S16 PolarHBondContact O-N 3.12Å; T12-S16 PolarHBondContact O-OG 3.44Å; T12-G61 VanDerWaalsContact CG2-CA 3.48Å
13L54.5Low52.7Low102 Ų10258.2 Ų58.253%0.53434%0.335SS..Hα-helixtrans-73.4-36.9173.7-76.5164.3000112.7M9 G10 S16 L17M9-L13 VanDerWaalsContact O-CB 3.29Å; M9-L13 WeakPolarHBondContact O-CB 3.45Å; M9-L13 WeakPolarHBondContact O-CD1 3.46Å; M9-L13 VanDerWaalsContact O-CG 3.27Å; M9-L13 WeakPolarHBondContact O-CG 3.46Å; M9-L13 PolarHBondContact O-N 3.27Å; G10-L13 PolarHBondContact O-N 3.15Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.35Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 PolarHBondContact O-N 3.43Å
14A55.5Low53.2Low28 Ų2864.3 Ų64.323%0.23135%0.351CS..Hα-helixtrans-61.1-43.5177.500000114.1G10 S16 L17 G18 L89 W93G10-A14 WeakPolarHBondContact O-CB 2.95Å; G10-A14 PolarHBondContact O-N 3.39Å; A14-S16 VanDerWaalsContact C-N 3.34Å; A14-L17 PolarHBondContact O-N 3.43Å; A14-G18 PolarHBondContact O-N 3.19Å; A14-L89 HydrophobicContact CB-CD2 3.68Å; A14-W93 VanDerWaalsContact O-CZ2 3.3Å; A14-W93 WeakPolarHBondContact O-CZ2 3.5Å; A14-W93 PolarHBondContact O-NE1 2.9Å; A14-W93 VanDerWaalsContact O-NE1 3.17Å
15P55.9Low53.2Low1 Ų166.1 Ų66.11%0.00635%0.352CS..Hα-helixtrans-63.2-38.9169.9-13.117.7000113.4F11 T12 L17 G18 C19 Y57 Y85 L89F11-P15 WeakPolarHBondContact O-CD 3.49Å; F11-P15 WeakPolarHBondContact O-CG 3.47Å; T12-P15 WeakPolarHBondContact O-CD 3.44Å; P15-L17 VanDerWaalsContact C-N 3.31Å; P15-L17 PolarHBondContact O-N 3.29Å; P15-G18 PolarHBondContact O-N 3.49Å; P15-C19 WeakPolarHBondContact O-CB 3.33Å; P15-C19 PolarHBondContact O-N 2.97Å; P15-Y57 HydrophobicContact CB-CD1 3.55Å; P15-Y57 HydrophobicContact CB-CE1 3.42Å; P15-Y57 VanDerWaalsContact CB-CE1 3.42Å; P15-Y57 HydrophobicContact CB-CG 4.34Å; P15-Y57 HydrophobicContact CG-CD1 4.46Å; P15-Y85 WeakPolarHBondContact CG-OH 3.33Å; P15-L89 HydrophobicContact CB-CD1 3.56Å; P15-L89 HydrophobicContact CG-CD1 3.58Å; P15-L89 HydrophobicContact CG-CD2 4.07Å; P15-L89 HydrophobicContact CG-CG 4.48Å
16S55.6Low53.4Low58 Ų5861.2 Ų61.241%0.40634%0.339SS..Hα-helixtrans-63.9-39.1178.2-56.80000111.2T12 L13 A14 F20T12-S16 PolarHBondContact O-N 3.12Å; T12-S16 PolarHBondContact O-OG 3.44Å; L13-S16 WeakPolarHBondContact O-CB 3.46Å; L13-S16 PolarHBondContact O-N 3.35Å; A14-S16 VanDerWaalsContact C-N 3.34Å; S16-F20 VanDerWaalsContact O-CB 3.26Å; S16-F20 WeakPolarHBondContact O-CB 3.43Å; S16-F20 PolarHBondContact O-N 2.99Å
17L57.3Low53.3Low96 Ų9663.6 Ų63.650%0.50335%0.346SS..Hα-helixtrans-64.5-43.2171.5-88.7152.4000112.1L13 A14 P15 F20 V21 W93L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 PolarHBondContact O-N 3.43Å; A14-L17 PolarHBondContact O-N 3.43Å; P15-L17 VanDerWaalsContact C-N 3.31Å; P15-L17 PolarHBondContact O-N 3.29Å; L17-F20 WeakPolarHBondContact O-CB 3.28Å; L17-F20 PolarHBondContact O-N 3.3Å; L17-V21 WeakPolarHBondContact O-CB 3.43Å; L17-V21 VanDerWaalsContact O-CG2 3.28Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.45Å; L17-W93 HydrophobicContact CB-CH2 4.46Å; L17-W93 HydrophobicContact CB-CZ2 3.88Å
18G55.3Low53.4Low5 Ų564 Ų645%0.05236%0.357CS..Hα-helixtrans-61.1-44.6174.300000113.9A14 P15 F20 V21 G22 W93A14-G18 PolarHBondContact O-N 3.19Å; P15-G18 PolarHBondContact O-N 3.49Å; G18-F20 VanDerWaalsContact C-N 3.3Å; G18-F20 PolarHBondContact O-N 3.27Å; G18-V21 PolarHBondContact O-N 2.96Å; G18-G22 WeakPolarHBondContact O-CA 3.36Å; G18-G22 PolarHBondContact O-N 3.48Å; G18-W93 VanDerWaalsContact CA-CD1 3.43Å
19C57.5Low53.4Low41 Ų4169.3 Ų69.328%0.27738%0.376SS..Hα-helixtrans-65.7-36.1175.5-1630000111.1P15 S23 Y57P15-C19 WeakPolarHBondContact O-CB 3.33Å; P15-C19 PolarHBondContact O-N 2.97Å; C19-S23 WeakPolarHBondContact O-CA 3.36Å; C19-S23 WeakPolarHBondContact O-CB 3.48Å; C19-S23 PolarHBondContact O-N 3.2Å; C19-Y57 HydrophobicContact CB-CE2 3.58Å
20F58Low53.6Low129 Ų12964.9 Ų64.957%0.56636%0.355SS*.Hα-helixtrans-68.7-43.8176.6-167.6-99.1000112.1S16 L17 G18 R24S16-F20 VanDerWaalsContact O-CB 3.26Å; S16-F20 WeakPolarHBondContact O-CB 3.43Å; S16-F20 PolarHBondContact O-N 2.99Å; L17-F20 WeakPolarHBondContact O-CB 3.28Å; L17-F20 PolarHBondContact O-N 3.3Å; G18-F20 VanDerWaalsContact C-N 3.3Å; G18-F20 PolarHBondContact O-N 3.27Å; F20-R24 WeakPolarHBondContact O-CG 3.23Å; F20-R24 PolarHBondContact O-N 3.48Å; F20-R24 VanDerWaalsContact O-N 3.08Å
21V56.4Low53.9Low70 Ų7065.4 Ų65.442%0.42435%0.348SS..Hα-helixtrans-68.8-44.3175.9174.40000110.8L17 G18 R24 F25L17-V21 WeakPolarHBondContact O-CB 3.43Å; L17-V21 VanDerWaalsContact O-CG2 3.28Å; L17-V21 WeakPolarHBondContact O-CG2 3.47Å; L17-V21 PolarHBondContact O-N 3.45Å; G18-V21 PolarHBondContact O-N 2.96Å; V21-R24 WeakPolarHBondContact O-CB 3.31Å; V21-R24 PolarHBondContact O-N 2.89Å; V21-F25 HydrophobicContact CG1-CD2 4.25Å; V21-F25 HydrophobicContact CG1-CE2 3.94Å; V21-F25 WeakPolarHBondContact O-CD2 3.44Å; V21-F25 PolarHBondContact O-N 3.38Å
22G53Low54.1Low7 Ų772.8 Ų72.87%0.07238%0.375CS..Hα-helixtrans-63.8-40.8175.900000112.8G18 R24 F25 V26G18-G22 WeakPolarHBondContact O-CA 3.36Å; G18-G22 PolarHBondContact O-N 3.48Å; G22-R24 VanDerWaalsContact C-N 3.32Å; G22-R24 PolarHBondContact O-N 2.92Å; G22-F25 PolarHBondContact O-N 3.34Å; G22-F25 VanDerWaalsContact O-N 3.09Å; G22-V26 VanDerWaalsContact O-CG2 3.28Å; G22-V26 WeakPolarHBondContact O-CG2 3.31Å; G22-V26 PolarHBondContact O-N 3.45Å
23S52.9Low54.4Low46 Ų4672 Ų7232%0.32237%0.367SS..Hα-helixtrans-61.6-38.9174.1-178.60000111.9C19 F25 V26 H27C19-S23 WeakPolarHBondContact O-CA 3.36Å; C19-S23 WeakPolarHBondContact O-CB 3.48Å; C19-S23 PolarHBondContact O-N 3.2Å; S23-F25 VanDerWaalsContact C-N 3.26Å; S23-F25 PolarHBondContact O-N 3.36Å; S23-V26 PolarHBondContact O-N 3.04Å; S23-H27 PolarHBondContact O-CD2 2.97Å; S23-H27 PolarHBondContact O-N 3.01Å; S23-H27 PolarHBondContact OG-CD2 3.45Å; S23-H27 PolarHBondContact OG-NE2 3.18Å
24R55.6Low54.6Low182 Ų18269 Ų6969%0.68735%0.348SS*.Hα-helixtrans-58.4-34.3172.5-83.7-100.6-17399-2.4113.1F20 V21 G22F20-R24 WeakPolarHBondContact O-CG 3.23Å; F20-R24 PolarHBondContact O-N 3.48Å; F20-R24 VanDerWaalsContact O-N 3.08Å; V21-R24 WeakPolarHBondContact O-CB 3.31Å; V21-R24 PolarHBondContact O-N 2.89Å; G22-R24 VanDerWaalsContact C-N 3.32Å; G22-R24 PolarHBondContact O-N 2.92Å
25F50.3Low54.8Low100 Ų10071.1 Ų71.144%0.43937%0.366SS..Hα-helixtrans-81.1-30.8175.9-76.4-75.4000113.5V21 G22 S23 H27 P96 F100V21-F25 HydrophobicContact CG1-CD2 4.25Å; V21-F25 HydrophobicContact CG1-CE2 3.94Å; V21-F25 WeakPolarHBondContact O-CD2 3.44Å; V21-F25 PolarHBondContact O-N 3.38Å; G22-F25 PolarHBondContact O-N 3.34Å; G22-F25 VanDerWaalsContact O-N 3.09Å; S23-F25 VanDerWaalsContact C-N 3.26Å; S23-F25 PolarHBondContact O-N 3.36Å; F25-H27 VanDerWaalsContact C-N 3.26Å; F25-H27 PolarHBondContact O-N 2.93Å; F25-P96 HydrophobicContact CB-CB 4.46Å; F25-F100 HydrophobicContact CB-CB 4.13Å; F25-F100 HydrophobicContact CB-CD2 4.39Å; F25-F100 HydrophobicContact CB-CG 4.41Å
26V52.3Low54.8Low48 Ų4873.6 Ų73.629%0.29139%0.392SS..Iπ-helixtrans-66.8-31.2172.4175.90000110.8G22 S23 L31 F100G22-V26 VanDerWaalsContact O-CG2 3.28Å; G22-V26 WeakPolarHBondContact O-CG2 3.31Å; G22-V26 PolarHBondContact O-N 3.45Å; S23-V26 PolarHBondContact O-N 3.04Å; V26-L31 PolarHBondContact O-N 2.95Å; V26-F100 HydrophobicContact CB-CE2 4.07Å; V26-F100 HydrophobicContact CB-CZ 3.99Å; V26-F100 HydrophobicContact CG1-CZ 4.12Å; V26-F100 HydrophobicContact CG2-CD2 4.07Å; V26-F100 HydrophobicContact CG2-CE2 3.26Å; V26-F100 HydrophobicContact CG2-CZ 3.6Å
27H46.5Very low55.2Low115 Ų11571.2 Ų71.253%0.53238%0.375SS..Iπ-helixtrans-77.7141179.8-73.9-49.7000113.9S23 F25 E29S23-H27 PolarHBondContact O-CD2 2.97Å; S23-H27 PolarHBondContact O-N 3.01Å; S23-H27 PolarHBondContact OG-CD2 3.45Å; S23-H27 PolarHBondContact OG-NE2 3.18Å; F25-H27 VanDerWaalsContact C-N 3.26Å; F25-H27 PolarHBondContact O-N 2.93Å; H27-E29 PolarHBondContact O-N 3.26Å
28G54.1Low55.3Low46 Ų4672.1 Ų72.147%0.47438%0.376SS..Iπ-helixtrans80.7-99.1175.400000113.8R32G28-R32 WeakPolarHBondContact O-CG 3.39Å; G28-R32 PolarHBondContact O-N 2.73Å
29E49.3Very low55.5Low144 Ų14475 Ų7567%0.67339%0.388SS*.Iπ-helixtrans-69.5-36.9-175.8-70.6-161160.600112.7H27 R32 W33 R103H27-E29 PolarHBondContact O-N 3.26Å; E29-R32 PolarHBondContact O-N 2.91Å; E29-W33 WeakPolarHBondContact O-CB 3.39Å; E29-W33 PolarHBondContact O-N 3.4Å; E29-R103 IonicContact OE2-NH2 3.89Å
30G52.5Low55.4Low4 Ų474.8 Ų74.84%0.04139%0.385CS..Iπ-helixtrans-61.8-50.1175.400000112R32 W33 Y34G30-R32 PolarHBondContact O-N 3.43Å; G30-W33 PolarHBondContact O-N 3.26Å; G30-Y34 WeakPolarHBondContact O-CB 3.38Å; G30-Y34 PolarHBondContact O-N 2.85Å
31L56.2Low55.2Low51 Ų5174.2 Ų74.227%0.26740%0.398SS..Hα-helixtrans-61.1-37.9174.8-102.6150.1000113.5V26 A35V26-L31 PolarHBondContact O-N 2.95Å; L31-A35 WeakPolarHBondContact O-CB 3.49Å; L31-A35 PolarHBondContact O-N 3.26Å
32R54.7Low55.4Low210 Ų21081.8 Ų81.879%0.79242%0.418SS*.Hα-helixtrans-68.8-44.6176.7-79.6-179.8175-177.6-0.8112.5G28 E29 G30 A35 G36G28-R32 WeakPolarHBondContact O-CG 3.39Å; G28-R32 PolarHBondContact O-N 2.73Å; E29-R32 PolarHBondContact O-N 2.91Å; G30-R32 PolarHBondContact O-N 3.43Å; R32-A35 PolarHBondContact O-N 3.03Å; R32-G36 PolarHBondContact O-N 3.27Å
33W58.4Low55.6Low29 Ų2983.4 Ų83.411%0.1142%0.424CS..Hα-helixtrans-66.7-41.2174.917981.3000111.3E29 G30 A35 G36 L37 F99 R103 M105 W161E29-W33 WeakPolarHBondContact O-CB 3.39Å; E29-W33 PolarHBondContact O-N 3.4Å; G30-W33 PolarHBondContact O-N 3.26Å; W33-A35 PolarHBondContact O-N 2.87Å; W33-G36 PolarHBondContact O-N 3.05Å; W33-G36 VanDerWaalsContact O-N 3.16Å; W33-L37 HydrophobicContact CD2-CD1 3.91Å; W33-L37 HydrophobicContact CE3-CD1 3.57Å; W33-L37 HydrophobicContact CH2-CD1 3.66Å; W33-L37 HydrophobicContact CZ2-CD1 3.96Å; W33-L37 HydrophobicContact CZ3-CD1 3.44Å; W33-L37 VanDerWaalsContact CZ3-CD1 3.44Å; W33-L37 PolarHBondContact O-N 2.95Å; W33-F99 HydrophobicContact CZ3-CD1 4.47Å; W33-F99 AromaticContact CZ3-CE1 3.84Å; W33-F99 HydrophobicContact CZ3-CE1 3.84Å; W33-F99 HydrophobicContact CZ3-CZ 4.31Å; W33-R103 HydrophobicContact CD2-CG 4.38Å; W33-R103 HydrophobicContact CH2-CB 4.38Å; W33-R103 HydrophobicContact CZ2-CB 3.84Å; W33-R103 HydrophobicContact CZ2-CG 4.25Å; W33-M105 HydrophobicContact CH2-CE 3.92Å; W33-M105 HydrophobicContact CH2-CG 3.7Å; W33-M105 HydrophobicContact CH2-SD 4.23Å; W33-M105 HydrophobicContact CZ2-CE 3.69Å; W33-M105 HydrophobicContact CZ2-CG 4.34Å; W33-W161 AromaticContact NE1-CZ3 3.48Å
34Y59.5Low55.8Low39 Ų3982.7 Ų82.715%0.15342%0.419CS..Hα-helixtrans-63.7-40174.5-151.3-111.9000111.5G30 G36 L37 K39 H43 F99 L150G30-Y34 WeakPolarHBondContact O-CB 3.38Å; G30-Y34 PolarHBondContact O-N 2.85Å; Y34-G36 PolarHBondContact O-N 3Å; Y34-L37 HydrophobicContact CD2-CD1 4.06Å; Y34-L37 WeakPolarHBondContact O-CB 3.35Å; Y34-L37 PolarHBondContact O-N 3.24Å; Y34-L37 VanDerWaalsContact O-N 3.15Å; Y34-K39 HydrophobicContact CD1-CD 4.16Å; Y34-K39 VanDerWaalsContact CD1-NZ 3.29Å; Y34-K39 HydrophobicContact CE1-CD 4.01Å; Y34-K39 WeakPolarHBondContact O-CE 3.45Å; Y34-K39 PolarHBondContact O-NZ 3.19Å; Y34-H43 AromaticContact CE1-NE2 3.96Å; Y34-H43 AromaticContact CZ-NE2 3.84Å; Y34-H43 PolarHBondContact OH-NE2 2.86Å; Y34-F99 HydrophobicContact CD2-CE1 4.19Å; Y34-F99 HydrophobicContact CE2-CE1 4.06Å; Y34-F99 HydrophobicContact CE2-CZ 4.08Å; Y34-L150 WeakPolarHBondContact OH-CD2 3.28Å
35A58.7Low56Low72 Ų7277.1 Ų77.160%0.59541%0.406SS*.Hα-helixtrans-63-26.117500000113.5L31 R32 W33L31-A35 WeakPolarHBondContact O-CB 3.49Å; L31-A35 PolarHBondContact O-N 3.26Å; R32-A35 PolarHBondContact O-N 3.03Å; W33-A35 PolarHBondContact O-N 2.87Å
36G57.7Low56.4Low54 Ų5478 Ų7856%0.55741%0.411SS*.THydrogen-bonded Turntrans-81.7-11.9174.900000115R32 W33 Y34R32-G36 PolarHBondContact O-N 3.27Å; W33-G36 PolarHBondContact O-N 3.05Å; W33-G36 VanDerWaalsContact O-N 3.16Å; Y34-G36 PolarHBondContact O-N 3Å
37L62.9Low56.9Low8 Ų884.6 Ų84.64%0.04243%0.431CS..SBendtrans-81.4141.5179.2-78.2154.9000111W33 Y34 K39 M105 N158 W161W33-L37 HydrophobicContact CD2-CD1 3.91Å; W33-L37 HydrophobicContact CE3-CD1 3.57Å; W33-L37 HydrophobicContact CH2-CD1 3.66Å; W33-L37 HydrophobicContact CZ2-CD1 3.96Å; W33-L37 HydrophobicContact CZ3-CD1 3.44Å; W33-L37 VanDerWaalsContact CZ3-CD1 3.44Å; W33-L37 PolarHBondContact O-N 2.95Å; Y34-L37 HydrophobicContact CD2-CD1 4.06Å; Y34-L37 WeakPolarHBondContact O-CB 3.35Å; Y34-L37 PolarHBondContact O-N 3.24Å; Y34-L37 VanDerWaalsContact O-N 3.15Å; L37-K39 PolarHBondContact O-N 3.48Å; L37-K39 VanDerWaalsContact O-N 3.16Å; L37-M105 HydrophobicContact CD1-CE 4.48Å; L37-M105 HydrophobicContact CD1-SD 4.46Å; L37-M105 HydrophobicContact CD2-CE 3.41Å; L37-M105 VanDerWaalsContact CD2-CE 3.41Å; L37-M105 HydrophobicContact CD2-SD 3.73Å; L37-N158 HydrophobicContact CD2-CB 3.94Å; L37-N158 VanDerWaalsContact CD2-ND2 3.32Å; L37-N158 WeakPolarHBondContact CD2-ND2 3.35Å; L37-W161 HydrophobicContact CD2-CE3 4.06Å; L37-W161 HydrophobicContact CD2-CZ3 4.35Å
38Q59.3Low57.8Low115 Ų11580.8 Ų80.854%0.53742%0.416SS..  trans-65.2117.3168.2-74.8-169.5-3.600108.5N158Q38-N158 PolarHBondContact N-OD1 3.09Å; Q38-N158 PolarHBondContact O-ND2 3.5Å; Q38-N158 VanDerWaalsContact O-ND2 3.16Å
39K60.2Low58.3Low66 Ų6682 Ų8229%0.28741%0.411SS..  trans-111.4139.6179.1-63.6176.2-157.7171.20109.5Y34 L37Y34-K39 HydrophobicContact CD1-CD 4.16Å; Y34-K39 VanDerWaalsContact CD1-NZ 3.29Å; Y34-K39 HydrophobicContact CE1-CD 4.01Å; Y34-K39 WeakPolarHBondContact O-CE 3.45Å; Y34-K39 PolarHBondContact O-NZ 3.19Å; L37-K39 PolarHBondContact O-N 3.48Å; L37-K39 VanDerWaalsContact O-N 3.16Å
40P55.4Low59.1Low35 Ų3577.5 Ų77.523%0.22740%0.403CS..  trans-61.3143.4167.922.2-31.2000110.4W42 H43 C153P40-W42 PolarHBondContact O-N 3.43Å; P40-H43 WeakPolarHBondContact CD-ND1 3.47Å; P40-H43 PolarHBondContact O-N 3.45Å; P40-H43 VanDerWaalsContact O-N 3.12Å; P40-H43 PolarHBondContact O-ND1 2.87Å; P40-C153 HydrophobicContact CG-CB 4.11Å
41S53.6Low59.9Low118 Ų11880.7 Ų80.783%0.82542%0.423SS*.THydrogen-bonded Turntrans-59-13.4-177.855.30000114.8H43S41-H43 VanDerWaalsContact C-N 3.33Å
42W60Low60.6Low228 Ų22880 Ų8086%0.86442%0.42SS*.THydrogen-bonded Turntrans-887.4179-65.972.9000113.8P40 P44P40-W42 PolarHBondContact O-N 3.43Å; W42-P44 VanDerWaalsContact O-CD 3.25Å; W42-P44 WeakPolarHBondContact O-CD 3.32Å
43H57.9Low61.2Low41 Ų4172.3 Ų72.319%0.1939%0.392CS..PPolyproline II helixtrans-62.9117.9176.7-101.779.7000110.8Y34 P40 S41 L150Y34-H43 AromaticContact CE1-NE2 3.96Å; Y34-H43 AromaticContact CZ-NE2 3.84Å; Y34-H43 PolarHBondContact OH-NE2 2.86Å; P40-H43 WeakPolarHBondContact CD-ND1 3.47Å; P40-H43 PolarHBondContact O-N 3.45Å; P40-H43 VanDerWaalsContact O-N 3.12Å; P40-H43 PolarHBondContact O-ND1 2.87Å; S41-H43 VanDerWaalsContact C-N 3.33Å; H43-L150 VanDerWaalsContact CE1-CG 3.48Å; H43-L150 WeakPolarHBondContact CE1-CG 3.45Å; H43-L150 WeakPolarHBondContact NE2-CD1 3.5Å; H43-L150 WeakPolarHBondContact NE2-CD2 3.41Å; H43-L150 VanDerWaalsContact NE2-CG 3.32Å; H43-L150 WeakPolarHBondContact NE2-CG 3.46Å
44P56.5Low61.6Low32 Ų3272.6 Ų72.621%0.20840%0.404CS..PPolyproline II helixtrans-64.5143173.724.8-30.1000108.9W42 V48 F146W42-P44 VanDerWaalsContact O-CD 3.25Å; W42-P44 WeakPolarHBondContact O-CD 3.32Å; P44-V48 HydrophobicContact CB-CB 4.41Å; P44-F146 HydrophobicContact CG-CE1 3.77Å; P44-F146 HydrophobicContact CG-CZ 3.95Å
45P60.4Low62.2Low64 Ų6475.5 Ų75.542%0.41643%0.425SS..PPolyproline II helixtrans-61.4145.6-179.323.7-31.6000110.3W47 V48P45-W47 PolarHBondContact O-N 3.38Å; P45-V48 HydrophobicContact CG-CG2 3.9Å; P45-V48 WeakPolarHBondContact O-CB 3.42Å; P45-V48 WeakPolarHBondContact O-CG2 3.47Å; P45-V48 PolarHBondContact O-N 2.84Å
46H57.7Low62.8Low118 Ų11872.4 Ų72.455%0.54640%0.399SS..Hα-helixtrans-61.6-24.4-164-13.5128000112.6V48 L49H46-V48 PolarHBondContact O-N 3.37Å; H46-L49 WeakPolarHBondContact O-CB 3.23Å; H46-L49 PolarHBondContact O-N 3.26Å
47W63.1Low63.3Low187 Ų18771 Ų7171%0.70838%0.377SS*.Hα-helixtrans-65-22.4175.273.9-96.6000113.1P45 P51P45-W47 PolarHBondContact O-N 3.38Å; W47-P51 WeakPolarHBondContact O-CD 3.3Å; W47-P51 WeakPolarHBondContact O-CG 3.35Å
48V66.1Low63.6Low36 Ų3674.6 Ų74.622%0.21840%0.403CS..Hα-helixtrans-75.3-28178.81790000111.4P44 P45 H46 G50 P51 V52P44-V48 HydrophobicContact CB-CB 4.41Å; P45-V48 HydrophobicContact CG-CG2 3.9Å; P45-V48 WeakPolarHBondContact O-CB 3.42Å; P45-V48 WeakPolarHBondContact O-CG2 3.47Å; P45-V48 PolarHBondContact O-N 2.84Å; H46-V48 PolarHBondContact O-N 3.37Å; V48-G50 VanDerWaalsContact C-N 3.32Å; V48-G50 PolarHBondContact O-N 3.44Å; V48-P51 WeakPolarHBondContact O-CD 3.27Å; V48-V52 HydrophobicContact CG1-CG2 4.06Å; V48-V52 VanDerWaalsContact O-CG2 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.07Å; V48-V52 PolarHBondContact O-N 3.5Å
49L65.3Low64.1Low72 Ų7270 Ų7038%0.37738%0.384SS..Hα-helixtrans-60.2-43.4178.4-63.2171.9000111H46 V52 W53 W143H46-L49 WeakPolarHBondContact O-CB 3.23Å; H46-L49 PolarHBondContact O-N 3.26Å; L49-V52 PolarHBondContact O-N 2.91Å; L49-W53 PolarHBondContact O-N 3.3Å; L49-W143 HydrophobicContact CD2-CH2 3.66Å; L49-W143 HydrophobicContact CD2-CZ2 3.45Å; L49-W143 VanDerWaalsContact CD2-CZ2 3.45Å
50G64.7Low64.5Low48 Ų4867.1 Ų67.150%0.49537%0.372SS..Hα-helixtrans-59.7-56.6-177.500000114.1V48 V52 W53 G54V48-G50 VanDerWaalsContact C-N 3.32Å; V48-G50 PolarHBondContact O-N 3.44Å; G50-V52 VanDerWaalsContact C-N 3.32Å; G50-V52 PolarHBondContact O-N 3.41Å; G50-W53 PolarHBondContact O-N 2.96Å; G50-G54 PolarHBondContact O-N 3.3Å
51P70.2Confident65Low71 Ų7166.1 Ų66.146%0.46137%0.368SS..Hα-helixtrans-57.5-42.2175.9-25.232.9000112.6W47 V48 G54 T55W47-P51 WeakPolarHBondContact O-CD 3.3Å; W47-P51 WeakPolarHBondContact O-CG 3.35Å; V48-P51 WeakPolarHBondContact O-CD 3.27Å; P51-G54 PolarHBondContact O-N 2.71Å; P51-T55 PolarHBondContact O-N 3.48Å; P51-T55 PolarHBondContact O-OG1 3.44Å; P51-T55 VanDerWaalsContact O-OG1 3.06Å
52V70.1Confident65.8Low36 Ų3667.1 Ų67.122%0.21836%0.355CS..Hα-helixtrans-61.8-50.7178.8172.40000110.6V48 L49 G50 G54 T55 L56 W143V48-V52 HydrophobicContact CG1-CG2 4.06Å; V48-V52 VanDerWaalsContact O-CG2 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.07Å; V48-V52 PolarHBondContact O-N 3.5Å; L49-V52 PolarHBondContact O-N 2.91Å; G50-V52 VanDerWaalsContact C-N 3.32Å; G50-V52 PolarHBondContact O-N 3.41Å; V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 PolarHBondContact O-N 2.99Å; V52-T55 PolarHBondContact O-N 3.32Å; V52-L56 HydrophobicContact CG1-CD1 3.67Å; V52-L56 HydrophobicContact CG1-CG 4.14Å; V52-L56 WeakPolarHBondContact O-CB 3.45Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.18Å; V52-W143 HydrophobicContact CB-CH2 3.92Å; V52-W143 HydrophobicContact CB-CZ2 3.98Å; V52-W143 HydrophobicContact CB-CZ3 4.22Å; V52-W143 HydrophobicContact CG1-CD2 3.42Å; V52-W143 VanDerWaalsContact CG1-CD2 3.42Å; V52-W143 VanDerWaalsContact CG1-CE2 3.49Å; V52-W143 HydrophobicContact CG1-CE3 3.59Å; V52-W143 HydrophobicContact CG1-CG 3.94Å; V52-W143 HydrophobicContact CG1-CH2 3.79Å; V52-W143 HydrophobicContact CG1-CZ2 3.66Å; V52-W143 HydrophobicContact CG1-CZ3 3.77Å; V52-W143 HydrophobicContact CG2-CH2 3.98Å; V52-W143 HydrophobicContact CG2-CZ3 4Å
53W67.3Low66.2Low50 Ų5056.3 Ų56.319%0.18931%0.314CS..Hα-helixtrans-58.5-40.1175.1-78112.9000112L49 G50 L56 Y57 Y140 W143L49-W53 PolarHBondContact O-N 3.3Å; G50-W53 PolarHBondContact O-N 2.96Å; W53-L56 PolarHBondContact O-N 2.92Å; W53-Y57 HydrophobicContact CB-CD2 4.34Å; W53-Y57 HydrophobicContact CB-CE2 4.01Å; W53-Y57 HydrophobicContact CD2-CE2 4.48Å; W53-Y57 HydrophobicContact CE3-CE1 4.3Å; W53-Y57 AromaticContact CE3-CE2 3.88Å; W53-Y57 HydrophobicContact CE3-CE2 3.88Å; W53-Y57 AromaticContact CE3-CZ 3.67Å; W53-Y57 WeakPolarHBondContact O-CB 3.25Å; W53-Y57 WeakPolarHBondContact O-CD2 3.41Å; W53-Y57 PolarHBondContact O-N 2.82Å; W53-Y140 HydrophobicContact CZ3-CE2 4.08Å; W53-W143 AromaticContact CE2-NE1 3.62Å; W53-W143 AromaticContact CZ2-NE1 3.69Å; W53-W143 AromaticContact NE1-NE1 3.83Å
54G67.4Low66.6Low35 Ų3555.6 Ų55.636%0.36131%0.314SS..Hα-helixtrans-57.2-51.8173.900000112.6G50 P51 V52 L56 Y57 S58G50-G54 PolarHBondContact O-N 3.3Å; P51-G54 PolarHBondContact O-N 2.71Å; V52-G54 VanDerWaalsContact C-N 3.27Å; V52-G54 PolarHBondContact O-N 2.99Å; G54-L56 VanDerWaalsContact C-N 3.32Å; G54-L56 PolarHBondContact O-N 3.42Å; G54-Y57 PolarHBondContact O-N 3.3Å; G54-S58 PolarHBondContact O-N 3.49Å; G54-S58 PolarHBondContact O-OG 2.78Å; G54-S58 VanDerWaalsContact O-OG 3.14Å
55T71.8Confident67.1Low99 Ų9959.5 Ų59.561%0.60733%0.325SS*.Hα-helixtrans-61.3-40.8177.5-53.50000111.8P51 V52 S58 A59P51-T55 PolarHBondContact O-N 3.48Å; P51-T55 PolarHBondContact O-OG1 3.44Å; P51-T55 VanDerWaalsContact O-OG1 3.06Å; V52-T55 PolarHBondContact O-N 3.32Å; T55-S58 PolarHBondContact O-N 2.96Å; T55-A59 WeakPolarHBondContact O-CB 3.24Å; T55-A59 PolarHBondContact O-N 2.86Å
56L70.8Confident67.5Low7 Ų757.7 Ų57.74%0.03731%0.312CS..Hα-helixtrans-65.8-43.4179.1-70.2176.4000112.2V52 W53 G54 A59 M60 Y140 W143V52-L56 HydrophobicContact CG1-CD1 3.67Å; V52-L56 HydrophobicContact CG1-CG 4.14Å; V52-L56 WeakPolarHBondContact O-CB 3.45Å; V52-L56 WeakPolarHBondContact O-CG 3.4Å; V52-L56 PolarHBondContact O-N 3.18Å; W53-L56 PolarHBondContact O-N 2.92Å; G54-L56 VanDerWaalsContact C-N 3.32Å; G54-L56 PolarHBondContact O-N 3.42Å; L56-A59 PolarHBondContact O-N 2.84Å; L56-M60 WeakPolarHBondContact O-CG 3.18Å; L56-M60 PolarHBondContact O-N 3.47Å; L56-Y140 HydrophobicContact CB-CD2 3.93Å; L56-Y140 HydrophobicContact CD1-CD2 3.8Å; L56-Y140 HydrophobicContact CD1-CE2 4.36Å; L56-Y140 VanDerWaalsContact CD2-CA 3.46Å; L56-Y140 HydrophobicContact CD2-CD2 3.92Å; L56-Y140 HydrophobicContact CD2-CG 4.36Å; L56-Y140 HydrophobicContact CG-CD2 4.06Å; L56-W143 HydrophobicContact CD1-CB 3.81Å; L56-W143 HydrophobicContact CD1-CD2 4.41Å; L56-W143 HydrophobicContact CD1-CG 3.6Å
57Y68.6Low67.8Low24 Ų2452.5 Ų52.59%0.09429%0.288CS..Hα-helixtrans-67.1-37.5175.2-69.4-49000112.1P15 C19 W53 G54 A59 M60 G61P15-Y57 HydrophobicContact CB-CD1 3.55Å; P15-Y57 HydrophobicContact CB-CE1 3.42Å; P15-Y57 VanDerWaalsContact CB-CE1 3.42Å; P15-Y57 HydrophobicContact CB-CG 4.34Å; P15-Y57 HydrophobicContact CG-CD1 4.46Å; C19-Y57 HydrophobicContact CB-CE2 3.58Å; W53-Y57 HydrophobicContact CB-CD2 4.34Å; W53-Y57 HydrophobicContact CB-CE2 4.01Å; W53-Y57 HydrophobicContact CD2-CE2 4.48Å; W53-Y57 HydrophobicContact CE3-CE1 4.3Å; W53-Y57 AromaticContact CE3-CE2 3.88Å; W53-Y57 HydrophobicContact CE3-CE2 3.88Å; W53-Y57 AromaticContact CE3-CZ 3.67Å; W53-Y57 WeakPolarHBondContact O-CB 3.25Å; W53-Y57 WeakPolarHBondContact O-CD2 3.41Å; W53-Y57 PolarHBondContact O-N 2.82Å; G54-Y57 PolarHBondContact O-N 3.3Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; Y57-M60 HydrophobicContact CD1-SD 4.5Å; Y57-M60 PolarHBondContact O-N 3.42Å; Y57-G61 PolarHBondContact O-N 3.31Å
58S69.2Low67.9Low85 Ų8547.4 Ų47.459%0.59427%0.269SS*.Hα-helixtrans-61.8-42.5171.3-63.90000111.7G54 T55 G61 Y62G54-S58 PolarHBondContact O-N 3.49Å; G54-S58 PolarHBondContact O-OG 2.78Å; G54-S58 VanDerWaalsContact O-OG 3.14Å; T55-S58 PolarHBondContact O-N 2.96Å; S58-G61 PolarHBondContact O-N 2.84Å; S58-Y62 WeakPolarHBondContact O-CB 3.4Å; S58-Y62 PolarHBondContact O-N 3.43Å
59A70.6Confident67.9Low18 Ų1852.2 Ų52.215%0.14929%0.287CS..Hα-helixtrans-65.4-41.6177.100000112.3T55 L56 Y57 Y62 G63 L136T55-A59 WeakPolarHBondContact O-CB 3.24Å; T55-A59 PolarHBondContact O-N 2.86Å; L56-A59 PolarHBondContact O-N 2.84Å; Y57-A59 VanDerWaalsContact C-N 3.34Å; A59-Y62 PolarHBondContact O-N 2.79Å; A59-G63 PolarHBondContact O-N 3.35Å; A59-L136 HydrophobicContact CB-CD2 4.2Å
60M68.4Low68Low5 Ų554.1 Ų54.13%0.02529%0.294CS..Hα-helixtrans-65-42.9174.2-75-178.9124.200112.1L56 Y57 Y62 G63 S64 Y85 W126 L137 Y140L56-M60 WeakPolarHBondContact O-CG 3.18Å; L56-M60 PolarHBondContact O-N 3.47Å; Y57-M60 HydrophobicContact CD1-SD 4.5Å; Y57-M60 PolarHBondContact O-N 3.42Å; M60-Y62 VanDerWaalsContact C-N 3.34Å; M60-Y62 PolarHBondContact O-N 3.15Å; M60-G63 PolarHBondContact O-N 2.77Å; M60-S64 PolarHBondContact O-N 2.83Å; M60-S64 PolarHBondContact O-OG 2.98Å; M60-Y85 HydrophobicContact CB-CE2 4.25Å; M60-Y85 HydrophobicContact CE-CD2 4.19Å; M60-Y85 HydrophobicContact CE-CE2 3.77Å; M60-Y85 HydrophobicContact CG-CE2 4.47Å; M60-Y85 HydrophobicContact SD-CE2 3.99Å; M60-W126 WeakPolarHBondContact O-CH2 3.49Å; M60-L137 HydrophobicContact CE-CD2 3.91Å; M60-L137 HydrophobicContact CG-CD2 4Å; M60-Y140 HydrophobicContact CE-CD1 4.2Å; M60-Y140 HydrophobicContact CE-CE1 3.81Å; M60-Y140 HydrophobicContact CE-CE2 4.21Å; M60-Y140 HydrophobicContact SD-CD2 4.34Å; M60-Y140 HydrophobicContact SD-CE2 4.08Å
61G66.1Low68Low15 Ų1553 Ų5316%0.15528%0.277CS..Hα-helixtrans-63.1-39.5175.800000112.7T12 Y57 S58 S64 Y65T12-G61 VanDerWaalsContact CG2-CA 3.48Å; Y57-G61 PolarHBondContact O-N 3.31Å; S58-G61 PolarHBondContact O-N 2.84Å; G61-S64 PolarHBondContact O-OG 3.42Å; G61-Y65 PolarHBondContact O-N 2.91Å
62Y70.7Confident67.5Low139 Ų13953 Ų5355%0.54529%0.289SS..Hα-helixtrans-71.9-39.3175.8-166-100.2000112.3S58 A59 M60 Y65 L66 L136S58-Y62 WeakPolarHBondContact O-CB 3.4Å; S58-Y62 PolarHBondContact O-N 3.43Å; A59-Y62 PolarHBondContact O-N 2.79Å; M60-Y62 VanDerWaalsContact C-N 3.34Å; M60-Y62 PolarHBondContact O-N 3.15Å; Y62-Y65 WeakPolarHBondContact O-CB 3.5Å; Y62-Y65 PolarHBondContact O-N 3.41Å; Y62-L66 PolarHBondContact O-N 3.22Å; Y62-L136 HydrophobicContact CD1-CD1 3.95Å; Y62-L136 HydrophobicContact CD1-CD2 4.35Å
63G67.1Low66.8Low0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-63.8-40.2176.500000112.8A59 M60 Y65 L66 V67A59-G63 PolarHBondContact O-N 3.35Å; M60-G63 PolarHBondContact O-N 2.77Å; G63-Y65 VanDerWaalsContact C-N 3.34Å; G63-Y65 PolarHBondContact O-N 3.28Å; G63-L66 PolarHBondContact O-N 2.93Å; G63-V67 VanDerWaalsContact O-CG2 3.31Å; G63-V67 WeakPolarHBondContact O-CG2 3.38Å; G63-V67 PolarHBondContact O-N 3.47Å
64S66.6Low66Low26 Ų2655.7 Ų55.718%0.18230%0.304CS..Hα-helixtrans-65.5-37.5175.570.30000112.3M60 G61 W68M60-S64 PolarHBondContact O-N 2.83Å; M60-S64 PolarHBondContact O-OG 2.98Å; G61-S64 PolarHBondContact O-OG 3.42Å; S64-W68 WeakPolarHBondContact O-CB 3Å; S64-W68 PolarHBondContact O-N 3.38Å
65Y67Low65.3Low115 Ų11557.4 Ų57.445%0.45131%0.307SS..Hα-helixtrans-63.6-40.7172.9175.7-102.2000112.3G61 Y62 G63 W68 K69G61-Y65 PolarHBondContact O-N 2.91Å; Y62-Y65 WeakPolarHBondContact O-CB 3.5Å; Y62-Y65 PolarHBondContact O-N 3.41Å; G63-Y65 VanDerWaalsContact C-N 3.34Å; G63-Y65 PolarHBondContact O-N 3.28Å; Y65-W68 HydrophobicContact CD2-CE3 4.33Å; Y65-W68 HydrophobicContact CE2-CE3 4.23Å; Y65-W68 HydrophobicContact CE2-CZ3 4.26Å; Y65-W68 PolarHBondContact O-N 2.79Å; Y65-K69 WeakPolarHBondContact O-CB 3.3Å; Y65-K69 PolarHBondContact O-N 2.88Å
66L68.1Low64.4Low26 Ų2661 Ų6114%0.13632%0.317CS..Hα-helixtrans-67.6-44.4179.1-162.475.8000111.9Y62 G63 W68 K69 E70 L132 A133Y62-L66 PolarHBondContact O-N 3.22Å; G63-L66 PolarHBondContact O-N 2.93Å; L66-W68 VanDerWaalsContact C-N 3.33Å; L66-W68 PolarHBondContact O-N 3Å; L66-K69 PolarHBondContact O-N 3.43Å; L66-E70 PolarHBondContact O-N 3.49Å; L66-L132 HydrophobicContact CD2-CB 3.44Å; L66-L132 VanDerWaalsContact CD2-CB 3.44Å; L66-A133 HydrophobicContact CB-CB 4.49Å; L66-A133 HydrophobicContact CD2-CB 4.25Å
67V65.2Low63.6Low9 Ų967.2 Ų67.26%0.05535%0.346CS..Hα-helixtrans-57.3-48.3174168.30000109.9G63 K69 E70 L71 W126 V129 A133G63-V67 VanDerWaalsContact O-CG2 3.31Å; G63-V67 WeakPolarHBondContact O-CG2 3.38Å; G63-V67 PolarHBondContact O-N 3.47Å; V67-K69 VanDerWaalsContact C-N 3.32Å; V67-K69 PolarHBondContact O-N 2.96Å; V67-E70 PolarHBondContact O-N 3.17Å; V67-L71 HydrophobicContact CG1-CD1 3.49Å; V67-L71 VanDerWaalsContact CG1-CD1 3.49Å; V67-L71 WeakPolarHBondContact O-CB 3.34Å; V67-L71 WeakPolarHBondContact O-CD1 3.44Å; V67-L71 PolarHBondContact O-N 3.17Å; V67-W126 HydrophobicContact CG2-CB 4.33Å; V67-W126 HydrophobicContact CG2-CD2 4.03Å; V67-W126 HydrophobicContact CG2-CE3 4.34Å; V67-W126 HydrophobicContact CG2-CG 4.02Å; V67-V129 HydrophobicContact CG1-CG1 4.13Å; V67-A133 HydrophobicContact CG2-CB 3.53Å
68W64.9Low62.9Low80 Ų8066.2 Ų66.230%0.30334%0.342SS..Hα-helixtrans-59.6-40.6177177.575.6000113.1P4 S64 Y65 L66 G72P4-W68 HydrophobicContact CB-CH2 3.76Å; P4-W68 HydrophobicContact CB-CZ2 3.17Å; P4-W68 HydrophobicContact CG-CH2 3.68Å; P4-W68 HydrophobicContact CG-CZ2 3.56Å; S64-W68 WeakPolarHBondContact O-CB 3Å; S64-W68 PolarHBondContact O-N 3.38Å; Y65-W68 HydrophobicContact CD2-CE3 4.33Å; Y65-W68 HydrophobicContact CE2-CE3 4.23Å; Y65-W68 HydrophobicContact CE2-CZ3 4.26Å; Y65-W68 PolarHBondContact O-N 2.79Å; L66-W68 VanDerWaalsContact C-N 3.33Å; L66-W68 PolarHBondContact O-N 3Å; W68-G72 PolarHBondContact O-N 3.32Å
69K66.9Low62.3Low136 Ų13666.1 Ų66.159%0.59134%0.338SS*.Hα-helixtrans-66.6-40.8178.3-174.2-178.8177.2-175.70112.2Y65 L66 V67 G72Y65-K69 WeakPolarHBondContact O-CB 3.3Å; Y65-K69 PolarHBondContact O-N 2.88Å; L66-K69 PolarHBondContact O-N 3.43Å; V67-K69 VanDerWaalsContact C-N 3.32Å; V67-K69 PolarHBondContact O-N 2.96Å; K69-G72 PolarHBondContact O-N 2.78Å
70E66.8Low61.8Low112 Ų11269.7 Ų69.752%0.52336%0.358SS..Hα-helixtrans-75.1-30.7179.7-72.6-150.4150.800113.4L66 V67 G72 S130L66-E70 PolarHBondContact O-N 3.49Å; V67-E70 PolarHBondContact O-N 3.17Å; E70-G72 PolarHBondContact O-N 3.45Å; E70-S130 WeakPolarHBondContact OE2-CA 3.5Å; E70-S130 WeakPolarHBondContact OE2-CB 3.49Å; E70-S130 PolarHBondContact OE2-OG 3.06Å
71L63.6Low61.4Low25 Ų2569.8 Ų69.813%0.13136%0.359CS..THydrogen-bonded Turntrans-73.7-5.5173.4-85144.7000114.1V67 G73 E77 A78 V129V67-L71 HydrophobicContact CG1-CD1 3.49Å; V67-L71 VanDerWaalsContact CG1-CD1 3.49Å; V67-L71 WeakPolarHBondContact O-CB 3.34Å; V67-L71 WeakPolarHBondContact O-CD1 3.44Å; V67-L71 PolarHBondContact O-N 3.17Å; L71-G73 PolarHBondContact O-N 2.98Å; L71-G73 VanDerWaalsContact O-N 3.15Å; L71-E77 HydrophobicContact CD2-CB 3.7Å; L71-A78 HydrophobicContact CD1-CB 4.09Å; L71-V129 HydrophobicContact CD1-CB 4.49Å; L71-V129 HydrophobicContact CD1-CG1 3.5Å; L71-V129 VanDerWaalsContact CD1-CG1 3.5Å; L71-V129 HydrophobicContact CD1-CG2 4.32Å; L71-V129 HydrophobicContact CD2-CG1 4.36Å; L71-V129 HydrophobicContact CG-CG1 3.61Å
72G60.2Low61.1Low71 Ų7171.3 Ų71.373%0.73236%0.363SS*.THydrogen-bonded Turntrans67.411177.500000115.2W68 K69 E70W68-G72 PolarHBondContact O-N 3.32Å; K69-G72 PolarHBondContact O-N 2.78Å; E70-G72 PolarHBondContact O-N 3.45Å
73G56.4Low60.6Low14 Ų1466.7 Ų66.714%0.14436%0.358CS..SBendtrans144.3-161.5178.600000115.2L71 T75L71-G73 PolarHBondContact O-N 2.98Å; L71-G73 VanDerWaalsContact O-N 3.15Å; G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 2.89Å
74F49.8Very low60.4Low129 Ų12969.5 Ų69.557%0.56637%0.373SS*.SBendtrans-86.367.9178.1-123.8-84.4000110.1P7P7-F74 HydrophobicContact CB-CE2 4.33Å; P7-F74 HydrophobicContact CB-CZ 4.47Å; P7-F74 HydrophobicContact CG-CE2 3.75Å; P7-F74 HydrophobicContact CG-CZ 4.33Å
75T52.8Low60.3Low71 Ų7168.7 Ų68.744%0.43637%0.366SS..  trans-87.3156.6175-43.40000109.8G73 E77 A78G73-T75 VanDerWaalsContact C-N 3.32Å; G73-T75 PolarHBondContact O-N 2.89Å; T75-E77 PolarHBondContact O-N 3.35Å; T75-A78 WeakPolarHBondContact O-CB 3.27Å; T75-A78 PolarHBondContact O-N 2.97Å
76E52.3Low60Low174 Ų17466 Ų6681%0.81336%0.362SS*.Hα-helixtrans-51.7-30.4178.5-73.3-172.1146.700113.2A78 V79E76-A78 VanDerWaalsContact C-N 3.27Å; E76-A78 PolarHBondContact O-N 3.42Å; E76-V79 WeakPolarHBondContact O-CB 3.33Å; E76-V79 PolarHBondContact O-N 2.87Å; E76-V79 VanDerWaalsContact O-N 3.15Å
77E54.7Low59.8Low138 Ų13866.4 Ų66.465%0.64537%0.371SS*.Hα-helixtrans-66.8-22.8175.7-67.2-175171.400114.1L71 T75 P81L71-E77 HydrophobicContact CD2-CB 3.7Å; T75-E77 PolarHBondContact O-N 3.35Å; E77-P81 WeakPolarHBondContact O-CD 3.29Å; E77-P81 WeakPolarHBondContact O-CG 3.42Å
78A54.3Low59.9Low2 Ų266.1 Ų66.12%0.01737%0.37CS..Hα-helixtrans-77.6-25.2174.200000111.7L71 T75 E76 V80 P81 L82L71-A78 HydrophobicContact CD1-CB 4.09Å; T75-A78 WeakPolarHBondContact O-CB 3.27Å; T75-A78 PolarHBondContact O-N 2.97Å; E76-A78 VanDerWaalsContact C-N 3.27Å; E76-A78 PolarHBondContact O-N 3.42Å; A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V80 PolarHBondContact O-N 3.33Å; A78-P81 VanDerWaalsContact O-CD 3.28Å; A78-P81 WeakPolarHBondContact O-CD 3.44Å; A78-P81 WeakPolarHBondContact O-CG 3.48Å; A78-L82 HydrophobicContact CB-CD1 4.11Å; A78-L82 VanDerWaalsContact O-CB 3.3Å; A78-L82 WeakPolarHBondContact O-CB 3.47Å; A78-L82 WeakPolarHBondContact O-CD1 3.28Å; A78-L82 PolarHBondContact O-N 3.47Å
79V56.5Low59.9Low83 Ų8363.3 Ų63.350%0.50336%0.36SS..Hα-helixtrans-67.7-34.7-176.8-175.40000111.6E76 G83E76-V79 WeakPolarHBondContact O-CB 3.33Å; E76-V79 PolarHBondContact O-N 2.87Å; E76-V79 VanDerWaalsContact O-N 3.15Å; V79-G83 PolarHBondContact O-N 3.21Å
80V60.1Low59.8Low94 Ų9459.8 Ų59.857%0.5736%0.357SS*.Hα-helixtrans-64.5-54.8178.5178.10000112.8A78 L82 G83 L84A78-V80 VanDerWaalsContact C-N 3.34Å; A78-V80 PolarHBondContact O-N 3.33Å; V80-L82 VanDerWaalsContact C-N 3.31Å; V80-L82 PolarHBondContact O-N 2.95Å; V80-G83 PolarHBondContact O-N 3.37Å; V80-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 WeakPolarHBondContact O-CB 3.43Å; V80-L84 PolarHBondContact O-N 2.86Å
81P59.2Low59.7Low6 Ų656.8 Ų56.84%0.03934%0.344CS..Hα-helixtrans-66.4-30.617722.7-30.5000112.9E77 A78 Y85 A125E77-P81 WeakPolarHBondContact O-CD 3.29Å; E77-P81 WeakPolarHBondContact O-CG 3.42Å; A78-P81 VanDerWaalsContact O-CD 3.28Å; A78-P81 WeakPolarHBondContact O-CD 3.44Å; A78-P81 WeakPolarHBondContact O-CG 3.48Å; P81-Y85 WeakPolarHBondContact O-CB 3.47Å; P81-Y85 PolarHBondContact O-N 3.23Å; P81-A125 HydrophobicContact CB-CB 4.41Å
82L60.5Low59.9Low48 Ų4856.7 Ų56.725%0.25134%0.343SS..Hα-helixtrans-71.2-38.9173.6-88.1135.9000112.5F11 A78 V80 Y85 T86F11-L82 HydrophobicContact CD2-CD2 3.62Å; F11-L82 HydrophobicContact CE2-CD2 3.48Å; F11-L82 VanDerWaalsContact CE2-CD2 3.48Å; F11-L82 HydrophobicContact CG-CD2 4.29Å; F11-L82 HydrophobicContact CZ-CD2 3.99Å; A78-L82 HydrophobicContact CB-CD1 4.11Å; A78-L82 VanDerWaalsContact O-CB 3.3Å; A78-L82 WeakPolarHBondContact O-CB 3.47Å; A78-L82 WeakPolarHBondContact O-CD1 3.28Å; A78-L82 PolarHBondContact O-N 3.47Å; V80-L82 VanDerWaalsContact C-N 3.31Å; V80-L82 PolarHBondContact O-N 2.95Å; L82-Y85 PolarHBondContact O-N 3.41Å; L82-T86 PolarHBondContact O-N 3.06Å; L82-T86 PolarHBondContact O-OG1 3.21Å
83G59.9Low60Low42 Ų4259 Ų5943%0.43333%0.33SS..Hα-helixtrans-66.3-44.1175.300000112V79 V80 Y85 T86 G87V79-G83 PolarHBondContact O-N 3.21Å; V80-G83 PolarHBondContact O-N 3.37Å; G83-Y85 PolarHBondContact O-N 3.39Å; G83-T86 PolarHBondContact O-N 2.97Å; G83-G87 PolarHBondContact O-N 2.88Å
84L62.9Low60.3Low59 Ų5960 Ų6031%0.30934%0.337SS..Hα-helixtrans-59.3-44.3173.1-95.4150.9000112V80 T86 G87 Q88 A121 T122 A125V80-L84 HydrophobicContact CG1-CD1 4.19Å; V80-L84 WeakPolarHBondContact O-CB 3.43Å; V80-L84 PolarHBondContact O-N 2.86Å; L84-T86 VanDerWaalsContact C-N 3.33Å; L84-T86 PolarHBondContact O-N 2.86Å; L84-G87 PolarHBondContact O-N 2.92Å; L84-Q88 WeakPolarHBondContact O-CB 3.42Å; L84-Q88 PolarHBondContact O-N 3.14Å; L84-A121 HydrophobicContact CD2-CB 3.81Å; L84-T122 HydrophobicContact CB-CG2 4.49Å; L84-A125 HydrophobicContact CD1-CB 4.13Å
85Y63.4Low61.1Low8 Ų856.3 Ų56.33%0.03132%0.319CS..Hα-helixtrans-61.2-41.3174.4179.6-100.7000112.2F11 P15 M60 P81 L82 G83 Q88 L89 W126F11-Y85 HydrophobicContact CB-CE1 4.19Å; F11-Y85 HydrophobicContact CD1-CD1 4.5Å; F11-Y85 PolarHBondContact O-OH 3.4Å; P15-Y85 WeakPolarHBondContact CG-OH 3.33Å; M60-Y85 HydrophobicContact CB-CE2 4.25Å; M60-Y85 HydrophobicContact CE-CD2 4.19Å; M60-Y85 HydrophobicContact CE-CE2 3.77Å; M60-Y85 HydrophobicContact CG-CE2 4.47Å; M60-Y85 HydrophobicContact SD-CE2 3.99Å; P81-Y85 WeakPolarHBondContact O-CB 3.47Å; P81-Y85 PolarHBondContact O-N 3.23Å; L82-Y85 PolarHBondContact O-N 3.41Å; G83-Y85 PolarHBondContact O-N 3.39Å; Y85-Q88 PolarHBondContact O-N 3.39Å; Y85-L89 WeakPolarHBondContact O-CB 3.36Å; Y85-L89 PolarHBondContact O-N 2.86Å; Y85-W126 HydrophobicContact CD2-CZ2 4.29Å
86T62Low61.4Low60 Ų6053.4 Ų53.437%0.36830%0.302SS..Hα-helixtrans-66-40.3178-50.90000111.5F11 L82 G83 L84 L89 A90F11-T86 WeakPolarHBondContact CE1-OG1 3.4Å; L82-T86 PolarHBondContact O-N 3.06Å; L82-T86 PolarHBondContact O-OG1 3.21Å; G83-T86 PolarHBondContact O-N 2.97Å; L84-T86 VanDerWaalsContact C-N 3.33Å; L84-T86 PolarHBondContact O-N 2.86Å; T86-L89 WeakPolarHBondContact O-CB 3.28Å; T86-L89 PolarHBondContact O-N 3.48Å; T86-A90 PolarHBondContact O-N 3.35Å
87G63.9Low61.8Low33 Ų3348 Ų4834%0.3428%0.282SS..Hα-helixtrans-61.9-50.7173.200000111.7G83 L84 L89 A90 L91G83-G87 PolarHBondContact O-N 2.88Å; L84-G87 PolarHBondContact O-N 2.92Å; G87-L89 PolarHBondContact O-N 3.3Å; G87-A90 PolarHBondContact O-N 3.44Å; G87-A90 VanDerWaalsContact O-N 3.16Å; G87-L91 VanDerWaalsContact O-CD1 3.26Å; G87-L91 WeakPolarHBondContact O-CD1 3.5Å; G87-L91 PolarHBondContact O-N 3.49Å
88Q65.8Low62.1Low4 Ų443.7 Ų43.72%0.01926%0.263CS..Hα-helixtrans-54.2-38.9175.2-175.1-171.5-3.400112L84 Y85 N92 A118 A119 T122 Y140L84-Q88 WeakPolarHBondContact O-CB 3.42Å; L84-Q88 PolarHBondContact O-N 3.14Å; Y85-Q88 PolarHBondContact O-N 3.39Å; Q88-N92 WeakPolarHBondContact O-CB 3.45Å; Q88-N92 PolarHBondContact O-N 2.87Å; Q88-A118 HydrophobicContact CB-CB 3.88Å; Q88-A118 HydrophobicContact CG-CB 3.93Å; Q88-A119 VanDerWaalsContact NE2-CA 3.29Å; Q88-T122 PolarHBondContact OE1-OG1 3.37Å; Q88-Y140 PolarHBondContact NE2-OH 2.83Å; Q88-Y140 VanDerWaalsContact NE2-OH 3.17Å
89L65.4Low62.4Low20 Ų2043.8 Ų43.811%0.10526%0.263CS..Hα-helixtrans-70.1-43.4179-162.674.2000113.2A14 P15 Y85 T86 G87 L91 N92 W93A14-L89 HydrophobicContact CB-CD2 3.68Å; P15-L89 HydrophobicContact CB-CD1 3.56Å; P15-L89 HydrophobicContact CG-CD1 3.58Å; P15-L89 HydrophobicContact CG-CD2 4.07Å; P15-L89 HydrophobicContact CG-CG 4.48Å; Y85-L89 WeakPolarHBondContact O-CB 3.36Å; Y85-L89 PolarHBondContact O-N 2.86Å; T86-L89 WeakPolarHBondContact O-CB 3.28Å; T86-L89 PolarHBondContact O-N 3.48Å; G87-L89 PolarHBondContact O-N 3.3Å; L89-L91 VanDerWaalsContact C-N 3.27Å; L89-L91 PolarHBondContact O-N 3.28Å; L89-N92 WeakPolarHBondContact O-CA 3.4Å; L89-N92 WeakPolarHBondContact O-CB 3.34Å; L89-N92 PolarHBondContact O-N 3.44Å; L89-N92 VanDerWaalsContact O-N 3.09Å; L89-W93 PolarHBondContact O-N 2.79Å
90A65.3Low62.4Low62 Ų6241 Ų4151%0.51224%0.244SC..Hα-helixtrans-60.8-40.1176.300000111.3T86 G87 W93 A94T86-A90 PolarHBondContact O-N 3.35Å; G87-A90 PolarHBondContact O-N 3.44Å; G87-A90 VanDerWaalsContact O-N 3.16Å; A90-W93 PolarHBondContact O-N 3.19Å; A90-A94 PolarHBondContact O-N 2.91Å; A90-A94 VanDerWaalsContact O-N 3.08Å
91L64Low62.2Low50 Ų5039.2 Ų39.226%0.26224%0.244SC..Hα-helixtrans-63.7-40.2171.9-84.4135.5000112.2G87 L89 W93 A94 W95 L114 V115G87-L91 VanDerWaalsContact O-CD1 3.26Å; G87-L91 WeakPolarHBondContact O-CD1 3.5Å; G87-L91 PolarHBondContact O-N 3.49Å; L89-L91 VanDerWaalsContact C-N 3.27Å; L89-L91 PolarHBondContact O-N 3.28Å; L91-W93 VanDerWaalsContact C-N 3.33Å; L91-W93 PolarHBondContact O-N 2.88Å; L91-A94 PolarHBondContact O-N 3.26Å; L91-W95 PolarHBondContact O-N 2.87Å; L91-L114 HydrophobicContact CD2-CB 3.81Å; L91-L114 HydrophobicContact CD2-CD2 3.6Å; L91-L114 HydrophobicContact CD2-CG 4.35Å; L91-V115 HydrophobicContact CB-CG2 3.9Å
92N67.6Low62.1Low22 Ų2241.3 Ų41.312%0.11826%0.262CS..Hα-helixtrans-64.1-37.6174.7-163.7-74000112.2Q88 L89 A94 W95 P96Q88-N92 WeakPolarHBondContact O-CB 3.45Å; Q88-N92 PolarHBondContact O-N 2.87Å; L89-N92 WeakPolarHBondContact O-CA 3.4Å; L89-N92 WeakPolarHBondContact O-CB 3.34Å; L89-N92 PolarHBondContact O-N 3.44Å; L89-N92 VanDerWaalsContact O-N 3.09Å; N92-A94 VanDerWaalsContact C-N 3.33Å; N92-A94 PolarHBondContact O-N 3.17Å; N92-W95 PolarHBondContact O-N 3.48Å; N92-P96 WeakPolarHBondContact O-CD 3.36Å
93W63.3Low62Low120 Ų12044.8 Ų44.846%0.45527%0.272SS..Hα-helixtrans-67.6-29174.3-85.238.7000113.6A14 L17 G18 L89 A90 L91 W95 P96 P97A14-W93 VanDerWaalsContact O-CZ2 3.3Å; A14-W93 WeakPolarHBondContact O-CZ2 3.5Å; A14-W93 PolarHBondContact O-NE1 2.9Å; A14-W93 VanDerWaalsContact O-NE1 3.17Å; L17-W93 HydrophobicContact CB-CH2 4.46Å; L17-W93 HydrophobicContact CB-CZ2 3.88Å; G18-W93 VanDerWaalsContact CA-CD1 3.43Å; L89-W93 PolarHBondContact O-N 2.79Å; A90-W93 PolarHBondContact O-N 3.19Å; L91-W93 VanDerWaalsContact C-N 3.33Å; L91-W93 PolarHBondContact O-N 2.88Å; W93-W95 VanDerWaalsContact C-N 3.33Å; W93-P96 WeakPolarHBondContact O-CD 3.48Å; W93-P97 VanDerWaalsContact O-CD 3.29Å; W93-P97 WeakPolarHBondContact O-CD 3.48Å
94A63.4Low62.1Low35 Ų3547.7 Ų47.729%0.28927%0.274SS..Hα-helixtrans-74.8-24.2177.200000112.6A90 L91 N92 P97 I98A90-A94 PolarHBondContact O-N 2.91Å; A90-A94 VanDerWaalsContact O-N 3.08Å; L91-A94 PolarHBondContact O-N 3.26Å; N92-A94 VanDerWaalsContact C-N 3.33Å; N92-A94 PolarHBondContact O-N 3.17Å; A94-P97 VanDerWaalsContact O-CD 3.26Å; A94-P97 WeakPolarHBondContact O-CD 3.49Å; A94-P97 WeakPolarHBondContact O-CG 3.32Å; A94-I98 HydrophobicContact CB-CD1 4.25Å; A94-I98 WeakPolarHBondContact O-CD1 3.2Å; A94-I98 VanDerWaalsContact O-CG1 3.22Å; A94-I98 WeakPolarHBondContact O-CG1 3.36Å; A94-I98 PolarHBondContact O-N 2.95Å
95W64.8Low62.1Low51 Ų5145.7 Ų45.719%0.19326%0.264CS..Hα-helixtrans-63-49-176.3-17590.6000114.4L91 N92 W93 I98 F99 F100 A108L91-W95 PolarHBondContact O-N 2.87Å; N92-W95 PolarHBondContact O-N 3.48Å; W93-W95 VanDerWaalsContact C-N 3.33Å; W95-I98 PolarHBondContact O-N 2.92Å; W95-F99 HydrophobicContact CD2-CB 4.31Å; W95-F99 AromaticContact CE2-CD2 3.86Å; W95-F99 HydrophobicContact CE3-CB 4.37Å; W95-F99 HydrophobicContact CH2-CB 4.16Å; W95-F99 HydrophobicContact CH2-CD1 4.18Å; W95-F99 AromaticContact CH2-CD2 3.91Å; W95-F99 HydrophobicContact CH2-CD2 3.91Å; W95-F99 AromaticContact CH2-CG 3.79Å; W95-F99 HydrophobicContact CH2-CG 3.79Å; W95-F99 HydrophobicContact CZ2-CB 4.09Å; W95-F99 HydrophobicContact CZ2-CD1 4.44Å; W95-F99 AromaticContact CZ2-CD2 3.35Å; W95-F99 HydrophobicContact CZ2-CD2 3.35Å; W95-F99 AromaticContact CZ2-CE2 3.99Å; W95-F99 HydrophobicContact CZ2-CE2 3.99Å; W95-F99 AromaticContact CZ2-CG 3.7Å; W95-F99 HydrophobicContact CZ2-CG 3.7Å; W95-F99 HydrophobicContact CZ3-CB 4.3Å; W95-F99 HydrophobicContact CZ3-CG 4.39Å; W95-F99 WeakPolarHBondContact O-CB 2.9Å; W95-F99 PolarHBondContact O-N 2.98Å; W95-F100 HydrophobicContact CH2-CE2 4.46Å; W95-F100 HydrophobicContact CZ3-CE2 4.2Å; W95-A108 PolarHBondContact NE1-O 3.01Å
96P60.3Low62Low10 Ų1046.8 Ų46.87%0.06528%0.277CS..Hα-helixtrans-58.7-47.4179.7-18.225.6000115.3F25 N92 W93 I98 F99 F100F25-P96 HydrophobicContact CB-CB 4.46Å; N92-P96 WeakPolarHBondContact O-CD 3.36Å; W93-P96 WeakPolarHBondContact O-CD 3.48Å; P96-I98 VanDerWaalsContact C-N 3.3Å; P96-I98 PolarHBondContact O-N 3.49Å; P96-F99 PolarHBondContact O-N 2.92Å; P96-F100 WeakPolarHBondContact O-CB 3.14Å; P96-F100 PolarHBondContact O-N 3.31Å
97P61.1Low62.1Low61 Ų6151.3 Ų51.340%0.39629%0.288SS..Iπ-helixtrans-66.5-30.2177.721.2-28.8000112.9W93 A94 G101 A102W93-P97 VanDerWaalsContact O-CD 3.29Å; W93-P97 WeakPolarHBondContact O-CD 3.48Å; A94-P97 VanDerWaalsContact O-CD 3.26Å; A94-P97 WeakPolarHBondContact O-CD 3.49Å; A94-P97 WeakPolarHBondContact O-CG 3.32Å; P97-G101 CarbonylContact O-C 3.51Å; P97-G101 WeakPolarHBondContact O-CA 3.48Å; P97-G101 PolarHBondContact O-N 3.34Å; P97-A102 PolarHBondContact O-N 3.4Å; P97-A102 VanDerWaalsContact O-N 3.09Å
98I61.2Low62.1Low47 Ų4749.8 Ų49.824%0.24127%0.272CS..Iπ-helixtrans-73.8-43.1175.6-64.6170.1000110.7A94 W95 P96 A102 W107 D111A94-I98 HydrophobicContact CB-CD1 4.25Å; A94-I98 WeakPolarHBondContact O-CD1 3.2Å; A94-I98 VanDerWaalsContact O-CG1 3.22Å; A94-I98 WeakPolarHBondContact O-CG1 3.36Å; A94-I98 PolarHBondContact O-N 2.95Å; W95-I98 PolarHBondContact O-N 2.92Å; P96-I98 VanDerWaalsContact C-N 3.3Å; P96-I98 PolarHBondContact O-N 3.49Å; I98-A102 WeakPolarHBondContact O-CB 3.46Å; I98-A102 PolarHBondContact O-N 2.99Å; I98-W107 HydrophobicContact CG2-CB 3.76Å; I98-D111 WeakPolarHBondContact CD1-OD2 3.27Å
99F60.6Low62.2Low4 Ų450.5 Ų50.52%0.01828%0.275CS..Iπ-helixtrans-69.6-54.7-179.6-162.9-86.5000112.3W33 Y34 W95 P96 R103 A108 N151W33-F99 HydrophobicContact CZ3-CD1 4.47Å; W33-F99 AromaticContact CZ3-CE1 3.84Å; W33-F99 HydrophobicContact CZ3-CE1 3.84Å; W33-F99 HydrophobicContact CZ3-CZ 4.31Å; Y34-F99 HydrophobicContact CD2-CE1 4.19Å; Y34-F99 HydrophobicContact CE2-CE1 4.06Å; Y34-F99 HydrophobicContact CE2-CZ 4.08Å; W95-F99 HydrophobicContact CD2-CB 4.31Å; W95-F99 AromaticContact CE2-CD2 3.86Å; W95-F99 HydrophobicContact CE3-CB 4.37Å; W95-F99 HydrophobicContact CH2-CB 4.16Å; W95-F99 HydrophobicContact CH2-CD1 4.18Å; W95-F99 AromaticContact CH2-CD2 3.91Å; W95-F99 HydrophobicContact CH2-CD2 3.91Å; W95-F99 AromaticContact CH2-CG 3.79Å; W95-F99 HydrophobicContact CH2-CG 3.79Å; W95-F99 HydrophobicContact CZ2-CB 4.09Å; W95-F99 HydrophobicContact CZ2-CD1 4.44Å; W95-F99 AromaticContact CZ2-CD2 3.35Å; W95-F99 HydrophobicContact CZ2-CD2 3.35Å; W95-F99 AromaticContact CZ2-CE2 3.99Å; W95-F99 HydrophobicContact CZ2-CE2 3.99Å; W95-F99 AromaticContact CZ2-CG 3.7Å; W95-F99 HydrophobicContact CZ2-CG 3.7Å; W95-F99 HydrophobicContact CZ3-CB 4.3Å; W95-F99 HydrophobicContact CZ3-CG 4.39Å; W95-F99 WeakPolarHBondContact O-CB 2.9Å; W95-F99 PolarHBondContact O-N 2.98Å; P96-F99 PolarHBondContact O-N 2.92Å; F99-R103 WeakPolarHBondContact O-CA 3.44Å; F99-R103 PolarHBondContact O-N 3.2Å; F99-A108 HydrophobicContact CB-CB 4.43Å; F99-A108 HydrophobicContact CD2-CB 3.15Å; F99-A108 HydrophobicContact CE2-CB 3.56Å; F99-A108 HydrophobicContact CG-CB 4.19Å; F99-N151 WeakPolarHBondContact CE2-OD1 3.28Å
100F56.5Low62.4Low26 Ų2652.7 Ų52.711%0.11429%0.29CS..Iπ-helixtrans-91.7-35.8-172.4-72.9-73.9000113.2F25 V26 W95 P96F25-F100 HydrophobicContact CB-CB 4.13Å; F25-F100 HydrophobicContact CB-CD2 4.39Å; F25-F100 HydrophobicContact CB-CG 4.41Å; V26-F100 HydrophobicContact CB-CE2 4.07Å; V26-F100 HydrophobicContact CB-CZ 3.99Å; V26-F100 HydrophobicContact CG1-CZ 4.12Å; V26-F100 HydrophobicContact CG2-CD2 4.07Å; V26-F100 HydrophobicContact CG2-CE2 3.26Å; V26-F100 HydrophobicContact CG2-CZ 3.6Å; W95-F100 HydrophobicContact CH2-CE2 4.46Å; W95-F100 HydrophobicContact CZ3-CE2 4.2Å; P96-F100 WeakPolarHBondContact O-CB 3.14Å; P96-F100 PolarHBondContact O-N 3.31Å
101G55.4Low62.6Low55 Ų5550.6 Ų50.657%0.56727%0.27SS*.Iπ-helixtrans-75.8-52.3178.500000112.1P97P97-G101 CarbonylContact O-C 3.51Å; P97-G101 WeakPolarHBondContact O-CA 3.48Å; P97-G101 PolarHBondContact O-N 3.34Å
102A55.8Low63Low51 Ų5148.8 Ų48.842%0.42126%0.26SS..SBendtrans-83.4-16-178.800000113.8P97 I98 Q104P97-A102 PolarHBondContact O-N 3.4Å; P97-A102 VanDerWaalsContact O-N 3.09Å; I98-A102 WeakPolarHBondContact O-CB 3.46Å; I98-A102 PolarHBondContact O-N 2.99Å; A102-Q104 HydrophobicContact CB-CG 4.2Å; A102-Q104 VanDerWaalsContact O-CG 3.29Å; A102-Q104 WeakPolarHBondContact O-CG 3.4Å; A102-Q104 PolarHBondContact O-N 2.89Å
103R59.5Low63.3Low120 Ų12052.3 Ų52.345%0.45328%0.279SS..  trans52.522.4-176.7-63.2-179.2179.1170.72.5113.6E29 W33 F99 M105E29-R103 IonicContact OE2-NH2 3.89Å; W33-R103 HydrophobicContact CD2-CG 4.38Å; W33-R103 HydrophobicContact CH2-CB 4.38Å; W33-R103 HydrophobicContact CZ2-CB 3.84Å; W33-R103 HydrophobicContact CZ2-CG 4.25Å; F99-R103 WeakPolarHBondContact O-CA 3.44Å; F99-R103 PolarHBondContact O-N 3.2Å; R103-M105 PolarHBondContact O-N 2.95Å
104Q62.8Low63.8Low104 Ų10451 Ų5149%0.48628%0.28SS..  trans-95.990.1-179.7-59.9-165.428.600109.5A102 G106 W107 A108A102-Q104 HydrophobicContact CB-CG 4.2Å; A102-Q104 VanDerWaalsContact O-CG 3.29Å; A102-Q104 WeakPolarHBondContact O-CG 3.4Å; A102-Q104 PolarHBondContact O-N 2.89Å; Q104-G106 PolarHBondContact O-N 3.31Å; Q104-W107 HydrophobicContact CB-CB 4.35Å; Q104-W107 PolarHBondContact O-N 3.32Å; Q104-W107 VanDerWaalsContact O-N 3.12Å; Q104-A108 PolarHBondContact O-N 3.46Å; Q104-A108 VanDerWaalsContact O-N 3.16Å
105M61Low64.2Low17 Ų1749.5 Ų49.58%0.08427%0.267CS..Hα-helixtrans-54.5-24.3179.2-65.9176.5-114.500113.8W33 L37 R103 A108 L109 V154 N158 W161W33-M105 HydrophobicContact CH2-CE 3.92Å; W33-M105 HydrophobicContact CH2-CG 3.7Å; W33-M105 HydrophobicContact CH2-SD 4.23Å; W33-M105 HydrophobicContact CZ2-CE 3.69Å; W33-M105 HydrophobicContact CZ2-CG 4.34Å; L37-M105 HydrophobicContact CD1-CE 4.48Å; L37-M105 HydrophobicContact CD1-SD 4.46Å; L37-M105 HydrophobicContact CD2-CE 3.41Å; L37-M105 VanDerWaalsContact CD2-CE 3.41Å; L37-M105 HydrophobicContact CD2-SD 3.73Å; R103-M105 PolarHBondContact O-N 2.95Å; M105-A108 WeakPolarHBondContact O-CB 2.88Å; M105-L109 PolarHBondContact O-N 2.73Å; M105-V154 HydrophobicContact SD-CG1 4.02Å; M105-N158 HydrophobicContact CE-CB 4.22Å; M105-N158 HydrophobicContact SD-CB 4.17Å; M105-W161 HydrophobicContact CE-CE3 4.31Å
106G62.2Low64.8Low31 Ų3148.1 Ų48.132%0.3227%0.266SS..Hα-helixtrans-72.3-47.2175.800000113.5Q104 L109 V110Q104-G106 PolarHBondContact O-N 3.31Å; G106-L109 WeakPolarHBondContact O-CB 3.36Å; G106-L109 PolarHBondContact O-N 3.25Å; G106-L109 VanDerWaalsContact O-N 3.17Å; G106-V110 PolarHBondContact O-N 3.48Å
107W63.8Low65.5Low155 Ų15549.6 Ų49.659%0.58728%0.283SS*.Hα-helixtrans-68.6-38.6178.8-76.797.5000112I98 Q104 L109 V110 D111I98-W107 HydrophobicContact CG2-CB 3.76Å; Q104-W107 HydrophobicContact CB-CB 4.35Å; Q104-W107 PolarHBondContact O-N 3.32Å; Q104-W107 VanDerWaalsContact O-N 3.12Å; W107-L109 PolarHBondContact O-N 3.43Å; W107-V110 WeakPolarHBondContact O-CB 3.44Å; W107-V110 PolarHBondContact O-N 2.91Å; W107-V110 VanDerWaalsContact O-N 3.08Å; W107-D111 PolarHBondContact O-N 3.12Å
108A64.4Low66Low0 Ų047.5 Ų47.50%027%0.27CS..Hα-helixtrans-48-39.6167.600000114.6W95 F99 Q104 M105 L112W95-A108 PolarHBondContact NE1-O 3.01Å; F99-A108 HydrophobicContact CB-CB 4.43Å; F99-A108 HydrophobicContact CD2-CB 3.15Å; F99-A108 HydrophobicContact CE2-CB 3.56Å; F99-A108 HydrophobicContact CG-CB 4.19Å; Q104-A108 PolarHBondContact O-N 3.46Å; Q104-A108 VanDerWaalsContact O-N 3.16Å; M105-A108 WeakPolarHBondContact O-CB 2.88Å; A108-L112 VanDerWaalsContact O-CB 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.08Å; A108-L112 PolarHBondContact O-N 3.43Å
109L67.3Low66.6Low19 Ų1945.2 Ų45.210%0.09926%0.259CS..Hα-helixtrans-74.5-40.2-179.5-141.5164.9000110.7M105 G106 W107 L112 L113 T148 N151 Y152 W155M105-L109 PolarHBondContact O-N 2.73Å; G106-L109 WeakPolarHBondContact O-CB 3.36Å; G106-L109 PolarHBondContact O-N 3.25Å; G106-L109 VanDerWaalsContact O-N 3.17Å; W107-L109 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 2.8Å; L109-L113 HydrophobicContact CD2-CD1 3.83Å; L109-L113 HydrophobicContact CD2-CG 4.33Å; L109-L113 WeakPolarHBondContact O-CB 2.8Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.7Å; L109-T148 HydrophobicContact CD2-CG2 4.41Å; L109-N151 HydrophobicContact CG-CB 4.27Å; L109-Y152 HydrophobicContact CD1-CD2 4.15Å; L109-W155 HydrophobicContact CD1-CB 3.98Å; L109-W155 HydrophobicContact CD1-CD2 4.4Å; L109-W155 HydrophobicContact CD1-CE3 4.41Å; L109-W155 HydrophobicContact CD1-CG 4.23Å
110V70.8Confident67.3Low66 Ų6646.9 Ų46.940%0.427%0.273SS..Hα-helixtrans-63.1-47.6174.2176.70000110.6G106 W107 L112 L113 L114G106-V110 PolarHBondContact O-N 3.48Å; W107-V110 WeakPolarHBondContact O-CB 3.44Å; W107-V110 PolarHBondContact O-N 2.91Å; W107-V110 VanDerWaalsContact O-N 3.08Å; V110-L112 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 3.32Å; V110-L113 WeakPolarHBondContact O-CB 3.4Å; V110-L113 PolarHBondContact O-N 3.31Å; V110-L114 HydrophobicContact CG1-CD1 3.71Å; V110-L114 WeakPolarHBondContact O-CB 3.5Å; V110-L114 WeakPolarHBondContact O-CD1 3.35Å; V110-L114 PolarHBondContact O-N 3.44Å
111D69.1Low68.2Low19 Ų1947.6 Ų47.610%0.10228%0.284CS..Hα-helixtrans-58.8-42.7174.3-94.5-93.1000111.7I98 W107 L113 L114 V115I98-D111 WeakPolarHBondContact CD1-OD2 3.27Å; W107-D111 PolarHBondContact O-N 3.12Å; D111-L113 PolarHBondContact O-N 3.02Å; D111-L114 CarbonylContact O-C 3.57Å; D111-L114 WeakPolarHBondContact O-CB 3.33Å; D111-L114 PolarHBondContact O-N 3.4Å; D111-V115 VanDerWaalsContact O-CG2 3.32Å; D111-V115 WeakPolarHBondContact O-CG2 3.43Å; D111-V115 PolarHBondContact O-N 2.82Å
112L71.2Confident68.8Low11 Ų1145 Ų456%0.05826%0.257CS..Hα-helixtrans-68.9-34.9-179.6-161.265.7000112.6A108 L109 V110 S116 A147 N151A108-L112 VanDerWaalsContact O-CB 3.28Å; A108-L112 WeakPolarHBondContact O-CB 3.08Å; A108-L112 PolarHBondContact O-N 3.43Å; L109-L112 PolarHBondContact O-N 2.8Å; V110-L112 VanDerWaalsContact C-N 3.31Å; V110-L112 PolarHBondContact O-N 3.32Å; L112-S116 WeakPolarHBondContact O-CB 3.34Å; L112-S116 PolarHBondContact O-N 3.06Å; L112-S116 PolarHBondContact O-OG 2.86Å; L112-A147 VanDerWaalsContact CD2-C 3.48Å; L112-A147 HydrophobicContact CD2-CB 3.98Å; L112-A147 WeakPolarHBondContact CD2-O 3.29Å; L112-N151 HydrophobicContact CD2-CB 4.1Å; L112-N151 VanDerWaalsContact CD2-ND2 3.34Å; L112-N151 WeakPolarHBondContact CD2-ND2 3.29Å
113L74.5Confident69.6Low97 Ų9743 Ų4351%0.50824%0.239SC..Hα-helixtrans-64.3-41.7169.6-84.5161.1000111.4L109 V110 D111 S116 G117 T148L109-L113 HydrophobicContact CD2-CD1 3.83Å; L109-L113 HydrophobicContact CD2-CG 4.33Å; L109-L113 WeakPolarHBondContact O-CB 2.8Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 2.7Å; V110-L113 WeakPolarHBondContact O-CB 3.4Å; V110-L113 PolarHBondContact O-N 3.31Å; D111-L113 PolarHBondContact O-N 3.02Å; L113-S116 WeakPolarHBondContact O-CB 3.49Å; L113-S116 PolarHBondContact O-N 2.96Å; L113-G117 PolarHBondContact O-N 3.31Å; L113-T148 HydrophobicContact CD2-CG2 4.3Å; L113-T148 HydrophobicContact CG-CG2 4.37Å
114L74.1Confident70.3Confident93 Ų9341.4 Ų41.449%0.48724%0.243SC..Hα-helixtrans-64.4-43.8175.5-103.5111.7000111.8L91 V110 D111 S116 G117 A118L91-L114 HydrophobicContact CD2-CB 3.81Å; L91-L114 HydrophobicContact CD2-CD2 3.6Å; L91-L114 HydrophobicContact CD2-CG 4.35Å; V110-L114 HydrophobicContact CG1-CD1 3.71Å; V110-L114 WeakPolarHBondContact O-CB 3.5Å; V110-L114 WeakPolarHBondContact O-CD1 3.35Å; V110-L114 PolarHBondContact O-N 3.44Å; D111-L114 CarbonylContact O-C 3.57Å; D111-L114 WeakPolarHBondContact O-CB 3.33Å; D111-L114 PolarHBondContact O-N 3.4Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 2.79Å; L114-G117 PolarHBondContact O-N 3.5Å; L114-A118 WeakPolarHBondContact O-CB 3.32Å; L114-A118 PolarHBondContact O-N 3.01Å
115V72.9Confident70.6Confident2 Ų237.6 Ų37.61%0.01223%0.229CC..Hα-helixtrans-61.2-40.1172.9170.90000110.5L91 D111 A118 A119 L144L91-V115 HydrophobicContact CB-CG2 3.9Å; D111-V115 VanDerWaalsContact O-CG2 3.32Å; D111-V115 WeakPolarHBondContact O-CG2 3.43Å; D111-V115 PolarHBondContact O-N 2.82Å; V115-A118 PolarHBondContact O-N 3.37Å; V115-A119 VanDerWaalsContact O-CB 3.23Å; V115-A119 WeakPolarHBondContact O-CB 3.26Å; V115-A119 PolarHBondContact O-N 3.3Å; V115-L144 HydrophobicContact CG1-CD2 3.9Å
116S75.6Confident71Confident23 Ų2337 Ų3716%0.16123%0.226CC..Hα-helixtrans-65.6-41.6176.5-58.50000112.5L112 L113 L114 A119 A120 T148L112-S116 WeakPolarHBondContact O-CB 3.34Å; L112-S116 PolarHBondContact O-N 3.06Å; L112-S116 PolarHBondContact O-OG 2.86Å; L113-S116 WeakPolarHBondContact O-CB 3.49Å; L113-S116 PolarHBondContact O-N 2.96Å; L114-S116 VanDerWaalsContact C-N 3.28Å; L114-S116 PolarHBondContact O-N 2.79Å; S116-A119 WeakPolarHBondContact O-CB 3.28Å; S116-A119 PolarHBondContact O-N 3.32Å; S116-A120 WeakPolarHBondContact O-CB 3.32Å; S116-A120 PolarHBondContact O-N 3.33Å; S116-T148 PolarHBondContact OG-OG1 2.99Å
117G75.1Confident71.5Confident41 Ų4142 Ų4242%0.42324%0.236SC..Hα-helixtrans-65.8-44.4174.800000112.1L113 L114 A119 A120 A121L113-G117 PolarHBondContact O-N 3.31Å; L114-G117 PolarHBondContact O-N 3.5Å; G117-A119 VanDerWaalsContact C-N 3.35Å; G117-A119 PolarHBondContact O-N 2.94Å; G117-A120 PolarHBondContact O-N 3.4Å; G117-A121 WeakPolarHBondContact O-CB 3.11Å; G117-A121 PolarHBondContact O-N 3.41Å
118A72.7Confident71.6Confident16 Ų1642.5 Ų42.513%0.13225%0.245CC..Hα-helixtrans-60.4-45.7174.400000110.7Q88 L114 V115 A120 A121 T122Q88-A118 HydrophobicContact CB-CB 3.88Å; Q88-A118 HydrophobicContact CG-CB 3.93Å; L114-A118 WeakPolarHBondContact O-CB 3.32Å; L114-A118 PolarHBondContact O-N 3.01Å; V115-A118 PolarHBondContact O-N 3.37Å; A118-A120 PolarHBondContact O-N 2.85Å; A118-A121 WeakPolarHBondContact O-CB 3.5Å; A118-A121 PolarHBondContact O-N 3.08Å; A118-T122 PolarHBondContact O-N 2.89Å; A118-T122 PolarHBondContact O-OG1 3.36Å
119A73.1Confident71.7Confident0 Ų044.5 Ų44.50%026%0.257CS..Hα-helixtrans-58-44175.200000114Q88 V115 S116 G117 T122 T123 Y140 L141 L144Q88-A119 VanDerWaalsContact NE2-CA 3.29Å; V115-A119 VanDerWaalsContact O-CB 3.23Å; V115-A119 WeakPolarHBondContact O-CB 3.26Å; V115-A119 PolarHBondContact O-N 3.3Å; S116-A119 WeakPolarHBondContact O-CB 3.28Å; S116-A119 PolarHBondContact O-N 3.32Å; G117-A119 VanDerWaalsContact C-N 3.35Å; G117-A119 PolarHBondContact O-N 2.94Å; A119-T122 PolarHBondContact O-N 3.18Å; A119-T123 WeakPolarHBondContact O-CB 3.39Å; A119-T123 PolarHBondContact O-N 3.17Å; A119-T123 PolarHBondContact O-OG1 3.18Å; A119-Y140 HydrophobicContact CB-CD1 4.09Å; A119-Y140 HydrophobicContact CB-CE1 3.53Å; A119-L141 HydrophobicContact CB-CD2 3.99Å; A119-L144 HydrophobicContact CB-CD1 3.29Å
120A75.9Confident71.6Confident39 Ų3943.6 Ų43.632%0.32225%0.252SS..Hα-helixtrans-63.9-43.7176.300000110.6S116 G117 A118 T122 T123 V124 L141S116-A120 WeakPolarHBondContact O-CB 3.32Å; S116-A120 PolarHBondContact O-N 3.33Å; G117-A120 PolarHBondContact O-N 3.4Å; A118-A120 PolarHBondContact O-N 2.85Å; A120-T122 PolarHBondContact O-N 3.44Å; A120-T123 WeakPolarHBondContact O-CB 3.34Å; A120-T123 PolarHBondContact O-N 3.34Å; A120-V124 WeakPolarHBondContact O-CG2 3.48Å; A120-V124 PolarHBondContact O-N 3.02Å; A120-L141 HydrophobicContact CB-CD2 4.21Å
121A74.1Confident71.6Confident41 Ų4143.4 Ų43.434%0.33925%0.252SS..Hα-helixtrans-60.8-44175.700000112L84 G117 A118 T123 V124 A125L84-A121 HydrophobicContact CD2-CB 3.81Å; G117-A121 WeakPolarHBondContact O-CB 3.11Å; G117-A121 PolarHBondContact O-N 3.41Å; A118-A121 WeakPolarHBondContact O-CB 3.5Å; A118-A121 PolarHBondContact O-N 3.08Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 3.24Å; A121-V124 PolarHBondContact O-N 2.84Å; A121-A125 WeakPolarHBondContact O-CB 2.72Å; A121-A125 PolarHBondContact O-N 3.37Å
122T69.2Low71.7Confident0 Ų047.1 Ų47.10%027%0.272CS..Hα-helixtrans-62.2-40.4174.6-34.90000111.3L84 Q88 A118 A119 A120 A125 W126L84-T122 HydrophobicContact CB-CG2 4.49Å; Q88-T122 PolarHBondContact OE1-OG1 3.37Å; A118-T122 PolarHBondContact O-N 2.89Å; A118-T122 PolarHBondContact O-OG1 3.36Å; A119-T122 PolarHBondContact O-N 3.18Å; A120-T122 PolarHBondContact O-N 3.44Å; T122-A125 PolarHBondContact O-N 3.46Å; T122-W126 HydrophobicContact CG2-CZ2 4.42Å; T122-W126 WeakPolarHBondContact O-CB 3.15Å; T122-W126 VanDerWaalsContact O-CD1 3.25Å; T122-W126 PolarHBondContact O-N 3.31Å
123T72Confident71.4Confident8 Ų846.6 Ų46.65%0.04927%0.269CS..Hα-helixtrans-64.7-42.5178-53.50000111.6A119 A120 A121 W126 Y127 A134 L137 L141A119-T123 WeakPolarHBondContact O-CB 3.39Å; A119-T123 PolarHBondContact O-N 3.17Å; A119-T123 PolarHBondContact O-OG1 3.18Å; A120-T123 WeakPolarHBondContact O-CB 3.34Å; A120-T123 PolarHBondContact O-N 3.34Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 3.24Å; T123-W126 PolarHBondContact O-N 2.9Å; T123-Y127 WeakPolarHBondContact O-CB 2.99Å; T123-Y127 PolarHBondContact O-N 3.31Å; T123-A134 HydrophobicContact CG2-CB 4.23Å; T123-L137 HydrophobicContact CG2-CB 3.95Å; T123-L137 HydrophobicContact CG2-CD1 4.41Å; T123-L141 HydrophobicContact CG2-CD1 4Å
124V75.2Confident71.2Confident88 Ų8842 Ų4253%0.53325%0.245SC..Hα-helixtrans-65.9-42.9176.4173.20000110.7A120 A121 W126 Y127 Q128A120-V124 WeakPolarHBondContact O-CG2 3.48Å; A120-V124 PolarHBondContact O-N 3.02Å; A121-V124 PolarHBondContact O-N 2.84Å; V124-W126 VanDerWaalsContact C-N 3.34Å; V124-W126 PolarHBondContact O-N 3.16Å; V124-Y127 WeakPolarHBondContact O-CB 3.36Å; V124-Y127 PolarHBondContact O-N 3.02Å; V124-Q128 PolarHBondContact O-N 3.03Å; V124-Q128 VanDerWaalsContact O-N 3.15Å
125A68.8Low71.3Confident23 Ų2345 Ų4519%0.1925%0.249CC..Hα-helixtrans-61.4-42.3175.500000111.8P81 L84 A121 T122 Y127 Q128P81-A125 HydrophobicContact CB-CB 4.41Å; L84-A125 HydrophobicContact CD1-CB 4.13Å; A121-A125 WeakPolarHBondContact O-CB 2.72Å; A121-A125 PolarHBondContact O-N 3.37Å; T122-A125 PolarHBondContact O-N 3.46Å; A125-Y127 VanDerWaalsContact C-N 3.34Å; A125-Q128 PolarHBondContact O-N 3.08Å
126W69.3Low71.1Confident6 Ų647.5 Ų47.52%0.02326%0.263CS..Hα-helixtrans-70.5-30.7176-72.518.7000112.2M60 V67 Y85 T122 T123 V124 Q128 V129 S130 A133 L137M60-W126 WeakPolarHBondContact O-CH2 3.49Å; V67-W126 HydrophobicContact CG2-CB 4.33Å; V67-W126 HydrophobicContact CG2-CD2 4.03Å; V67-W126 HydrophobicContact CG2-CE3 4.34Å; V67-W126 HydrophobicContact CG2-CG 4.02Å; Y85-W126 HydrophobicContact CD2-CZ2 4.29Å; T122-W126 HydrophobicContact CG2-CZ2 4.42Å; T122-W126 WeakPolarHBondContact O-CB 3.15Å; T122-W126 VanDerWaalsContact O-CD1 3.25Å; T122-W126 PolarHBondContact O-N 3.31Å; T123-W126 PolarHBondContact O-N 2.9Å; V124-W126 VanDerWaalsContact C-N 3.34Å; V124-W126 PolarHBondContact O-N 3.16Å; W126-Q128 VanDerWaalsContact C-N 3.32Å; W126-Q128 PolarHBondContact O-N 3.16Å; W126-V129 PolarHBondContact O-N 3.09Å; W126-S130 CarbonylContact O-C 3.59Å; W126-S130 PolarHBondContact O-N 3.23Å; W126-A133 HydrophobicContact CE3-CB 4.03Å; W126-L137 HydrophobicContact CD2-CD1 3.78Å; W126-L137 HydrophobicContact CE3-CD1 3.25Å; W126-L137 HydrophobicContact CE3-CG 4.16Å; W126-L137 HydrophobicContact CG-CD1 4.35Å; W126-L137 HydrophobicContact CH2-CD1 4.45Å; W126-L137 HydrophobicContact CZ3-CD1 3.62Å; W126-L137 HydrophobicContact CZ3-CG 4.14Å
127Y72.8Confident71Confident134 Ų13446.5 Ų46.553%0.52526%0.255SS..Hα-helixtrans-65.8-35.8176.5-172.2-92.6000112T123 V124 A125 V129 P131 A134T123-Y127 WeakPolarHBondContact O-CB 2.99Å; T123-Y127 PolarHBondContact O-N 3.31Å; V124-Y127 WeakPolarHBondContact O-CB 3.36Å; V124-Y127 PolarHBondContact O-N 3.02Å; A125-Y127 VanDerWaalsContact C-N 3.34Å; Y127-V129 VanDerWaalsContact C-N 3.26Å; Y127-V129 PolarHBondContact O-N 3.43Å; Y127-P131 HydrophobicContact CD2-CB 4.39Å; Y127-P131 HydrophobicContact CE2-CB 4.17Å; Y127-A134 HydrophobicContact CD2-CB 3.68Å; Y127-A134 HydrophobicContact CG-CB 4.17Å
128Q66.3Low71.1Confident166 Ų16650.5 Ų50.578%0.77626%0.259SS*.Hα-helixtrans-68-27.1176.4-66-147.912.700113.1V124 A125 W126V124-Q128 PolarHBondContact O-N 3.03Å; V124-Q128 VanDerWaalsContact O-N 3.15Å; A125-Q128 PolarHBondContact O-N 3.08Å; W126-Q128 VanDerWaalsContact C-N 3.32Å; W126-Q128 PolarHBondContact O-N 3.16Å
129V65.5Low71.2Confident43 Ų4353 Ų5326%0.26127%0.274SS..Hα-helixtrans-91.6-55.3178.2-178.90000111.5V67 L71 W126 Y127V67-V129 HydrophobicContact CG1-CG1 4.13Å; L71-V129 HydrophobicContact CD1-CB 4.49Å; L71-V129 HydrophobicContact CD1-CG1 3.5Å; L71-V129 VanDerWaalsContact CD1-CG1 3.5Å; L71-V129 HydrophobicContact CD1-CG2 4.32Å; L71-V129 HydrophobicContact CD2-CG1 4.36Å; L71-V129 HydrophobicContact CG-CG1 3.61Å; W126-V129 PolarHBondContact O-N 3.09Å; Y127-V129 VanDerWaalsContact C-N 3.26Å; Y127-V129 PolarHBondContact O-N 3.43Å
130S65.7Low71.3Confident0 Ų053.3 Ų53.30%028%0.275CS..  trans-140.4106.4-175.5-167.10000111.6E70 W126 L132 A133 A134E70-S130 WeakPolarHBondContact OE2-CA 3.5Å; E70-S130 WeakPolarHBondContact OE2-CB 3.49Å; E70-S130 PolarHBondContact OE2-OG 3.06Å; W126-S130 CarbonylContact O-C 3.59Å; W126-S130 PolarHBondContact O-N 3.23Å; S130-L132 PolarHBondContact O-N 2.97Å; S130-L132 VanDerWaalsContact O-N 3.12Å; S130-A133 PolarHBondContact O-N 3.16Å; S130-A134 PolarHBondContact O-N 3.17Å
131P70.3Confident71.2Confident61 Ų6153.8 Ų53.840%0.39627%0.272SS..Hα-helixtrans-66.4-15.7-179.524-31.8000113.5Y127 R135Y127-P131 HydrophobicContact CD2-CB 4.39Å; Y127-P131 HydrophobicContact CE2-CB 4.17Å; P131-R135 PolarHBondContact O-N 2.82Å
132L70.7Confident71.4Confident97 Ų9754.9 Ų54.951%0.50828%0.281SS..Hα-helixtrans-74.2-42.9170.8-86.8163.7000111.5L66 S130 A134 R135 L136L66-L132 HydrophobicContact CD2-CB 3.44Å; L66-L132 VanDerWaalsContact CD2-CB 3.44Å; S130-L132 PolarHBondContact O-N 2.97Å; S130-L132 VanDerWaalsContact O-N 3.12Å; L132-A134 VanDerWaalsContact C-N 3.35Å; L132-A134 PolarHBondContact O-N 3.49Å; L132-R135 WeakPolarHBondContact O-CB 3.42Å; L132-R135 PolarHBondContact O-N 3.45Å; L132-L136 PolarHBondContact O-N 2.99Å
133A66.8Low71.8Confident0 Ų056.4 Ų56.40%029%0.287CS..Hα-helixtrans-65.5-38.3178.700000112L66 V67 W126 S130 R135 L136L66-A133 HydrophobicContact CB-CB 4.49Å; L66-A133 HydrophobicContact CD2-CB 4.25Å; V67-A133 HydrophobicContact CG2-CB 3.53Å; W126-A133 HydrophobicContact CE3-CB 4.03Å; S130-A133 PolarHBondContact O-N 3.16Å; A133-R135 VanDerWaalsContact C-N 3.3Å; A133-R135 PolarHBondContact O-N 2.76Å; A133-L136 WeakPolarHBondContact O-CB 3.5Å; A133-L136 PolarHBondContact O-N 3.45Å
134A69.5Low71.9Confident0 Ų056.1 Ų56.10%029%0.285CS..Hα-helixtrans-64.6-33.7174.200000112.9T123 Y127 S130 L132 L136 L137 Y138T123-A134 HydrophobicContact CG2-CB 4.23Å; Y127-A134 HydrophobicContact CD2-CB 3.68Å; Y127-A134 HydrophobicContact CG-CB 4.17Å; S130-A134 PolarHBondContact O-N 3.17Å; L132-A134 VanDerWaalsContact C-N 3.35Å; L132-A134 PolarHBondContact O-N 3.49Å; A134-L136 VanDerWaalsContact C-N 3.28Å; A134-L136 PolarHBondContact O-N 2.9Å; A134-L137 WeakPolarHBondContact O-CB 3.26Å; A134-L137 PolarHBondContact O-N 3.22Å; A134-Y138 PolarHBondContact O-N 2.8Å
135R75.1Confident71.8Confident156 Ų15654.5 Ų54.559%0.58928%0.281SS*.Hα-helixtrans-66.4-31.3177.6-133.3176.7-66.1179.4-2112.3P131 L132 A133 L137 Y138P131-R135 PolarHBondContact O-N 2.82Å; L132-R135 WeakPolarHBondContact O-CB 3.42Å; L132-R135 PolarHBondContact O-N 3.45Å; A133-R135 VanDerWaalsContact C-N 3.3Å; A133-R135 PolarHBondContact O-N 2.76Å; R135-L137 PolarHBondContact O-N 3.2Å; R135-Y138 HydrophobicContact CG-CD2 4.03Å; R135-Y138 HydrophobicContact CG-CE2 4.06Å; R135-Y138 PolarHBondContact O-N 3.4Å
136L70.4Confident72.1Confident55 Ų5557.5 Ų57.529%0.28829%0.29SS..Hα-helixtrans-67.9-22.3172.5-79.7138.2000113A59 Y62 L132 A133 A134 P139A59-L136 HydrophobicContact CB-CD2 4.2Å; Y62-L136 HydrophobicContact CD1-CD1 3.95Å; Y62-L136 HydrophobicContact CD1-CD2 4.35Å; L132-L136 PolarHBondContact O-N 2.99Å; A133-L136 WeakPolarHBondContact O-CB 3.5Å; A133-L136 PolarHBondContact O-N 3.45Å; A134-L136 VanDerWaalsContact C-N 3.28Å; A134-L136 PolarHBondContact O-N 2.9Å; L136-P139 WeakPolarHBondContact O-CD 3.19Å; L136-P139 VanDerWaalsContact O-CG 3.31Å; L136-P139 WeakPolarHBondContact O-CG 3.47Å
137L71.8Confident72.2Confident2 Ų258.1 Ų58.11%0.0130%0.296CS..Hα-helixtrans-88.9-12.2177.1-83.3163.3000113.8M60 T123 W126 A134 R135 Y140 L141M60-L137 HydrophobicContact CE-CD2 3.91Å; M60-L137 HydrophobicContact CG-CD2 4Å; T123-L137 HydrophobicContact CG2-CB 3.95Å; T123-L137 HydrophobicContact CG2-CD1 4.41Å; W126-L137 HydrophobicContact CD2-CD1 3.78Å; W126-L137 HydrophobicContact CE3-CD1 3.25Å; W126-L137 HydrophobicContact CE3-CG 4.16Å; W126-L137 HydrophobicContact CG-CD1 4.35Å; W126-L137 HydrophobicContact CH2-CD1 4.45Å; W126-L137 HydrophobicContact CZ3-CD1 3.62Å; W126-L137 HydrophobicContact CZ3-CG 4.14Å; A134-L137 WeakPolarHBondContact O-CB 3.26Å; A134-L137 PolarHBondContact O-N 3.22Å; R135-L137 PolarHBondContact O-N 3.2Å; L137-Y140 HydrophobicContact CD2-CD1 3.86Å; L137-Y140 HydrophobicContact CD2-CG 4.11Å; L137-Y140 WeakPolarHBondContact O-CA 3.32Å; L137-Y140 VanDerWaalsContact O-CB 3.23Å; L137-Y140 WeakPolarHBondContact O-CB 3.22Å; L137-Y140 PolarHBondContact O-N 2.86Å; L137-L141 PolarHBondContact O-N 2.98Å
138Y77.5Confident72.2Confident125 Ų12552.9 Ų52.949%0.4928%0.278SS..Hα-helixtrans-56.3-46.9172.9-72.5-8.5000114.5A134 R135 Y140 L141 A142A134-Y138 PolarHBondContact O-N 2.8Å; R135-Y138 HydrophobicContact CG-CD2 4.03Å; R135-Y138 HydrophobicContact CG-CE2 4.06Å; R135-Y138 PolarHBondContact O-N 3.4Å; Y138-Y140 PolarHBondContact O-N 3.18Å; Y138-L141 PolarHBondContact O-N 3.27Å; Y138-A142 PolarHBondContact O-N 3.03Å
139P75.6Confident72.4Confident70 Ų7049 Ų4946%0.45527%0.266SS..Hα-helixtrans-62.4-28.7174.223.4-33.7000112.4L136 W143L136-P139 WeakPolarHBondContact O-CD 3.19Å; L136-P139 VanDerWaalsContact O-CG 3.31Å; L136-P139 WeakPolarHBondContact O-CG 3.47Å; P139-W143 WeakPolarHBondContact O-CB 3.44Å; P139-W143 PolarHBondContact O-N 3.41Å
140Y74Confident72.6Confident5 Ų548.2 Ų48.22%0.0226%0.26CS..Hα-helixtrans-68.5-44.9175.4-176.7-103.1000112.4W53 L56 M60 Q88 A119 L137 Y138 W143 L144W53-Y140 HydrophobicContact CZ3-CE2 4.08Å; L56-Y140 HydrophobicContact CB-CD2 3.93Å; L56-Y140 HydrophobicContact CD1-CD2 3.8Å; L56-Y140 HydrophobicContact CD1-CE2 4.36Å; L56-Y140 VanDerWaalsContact CD2-CA 3.46Å; L56-Y140 HydrophobicContact CD2-CD2 3.92Å; L56-Y140 HydrophobicContact CD2-CG 4.36Å; L56-Y140 HydrophobicContact CG-CD2 4.06Å; M60-Y140 HydrophobicContact CE-CD1 4.2Å; M60-Y140 HydrophobicContact CE-CE1 3.81Å; M60-Y140 HydrophobicContact CE-CE2 4.21Å; M60-Y140 HydrophobicContact SD-CD2 4.34Å; M60-Y140 HydrophobicContact SD-CE2 4.08Å; Q88-Y140 PolarHBondContact NE2-OH 2.83Å; Q88-Y140 VanDerWaalsContact NE2-OH 3.17Å; A119-Y140 HydrophobicContact CB-CD1 4.09Å; A119-Y140 HydrophobicContact CB-CE1 3.53Å; L137-Y140 HydrophobicContact CD2-CD1 3.86Å; L137-Y140 HydrophobicContact CD2-CG 4.11Å; L137-Y140 WeakPolarHBondContact O-CA 3.32Å; L137-Y140 VanDerWaalsContact O-CB 3.23Å; L137-Y140 WeakPolarHBondContact O-CB 3.22Å; L137-Y140 PolarHBondContact O-N 2.86Å; Y138-Y140 PolarHBondContact O-N 3.18Å; Y140-W143 WeakPolarHBondContact O-CB 3.34Å; Y140-W143 PolarHBondContact O-N 3.16Å; Y140-L144 HydrophobicContact CD1-CD1 3.67Å; Y140-L144 HydrophobicContact CD1-CG 4.45Å; Y140-L144 HydrophobicContact CE1-CD1 3.17Å; Y140-L144 HydrophobicContact CE1-CG 4.04Å; Y140-L144 WeakPolarHBondContact O-CG 3.33Å; Y140-L144 PolarHBondContact O-N 3.12Å
141L74.9Confident72.9Confident50 Ų5048.7 Ų48.726%0.26226%0.263SS..Hα-helixtrans-64.1-40.5174.9-72.3172.4000112A119 A120 T123 L137 Y138 W143 L144 A145A119-L141 HydrophobicContact CB-CD2 3.99Å; A120-L141 HydrophobicContact CB-CD2 4.21Å; T123-L141 HydrophobicContact CG2-CD1 4Å; L137-L141 PolarHBondContact O-N 2.98Å; Y138-L141 PolarHBondContact O-N 3.27Å; L141-W143 VanDerWaalsContact C-N 3.29Å; L141-W143 PolarHBondContact O-N 3.37Å; L141-L144 PolarHBondContact O-N 2.88Å; L141-A145 WeakPolarHBondContact O-CB 3.26Å; L141-A145 PolarHBondContact O-N 3.07Å
142A77.7Confident72.9Confident64 Ų6451 Ų5153%0.52926%0.264SS..Hα-helixtrans-60.2-41.4174.800000111.5Y138 A145 F146Y138-A142 PolarHBondContact O-N 3.03Å; A142-A145 PolarHBondContact O-N 3.4Å; A142-F146 WeakPolarHBondContact O-CB 3.35Å; A142-F146 PolarHBondContact O-N 3.28Å
143W78.2Confident72.8Confident32 Ų3247.6 Ų47.612%0.12125%0.248CC..Hα-helixtrans-64.3-43.2174.9-178-111.8000113.1L49 V52 W53 L56 P139 Y140 L141 A145 F146 A147L49-W143 HydrophobicContact CD2-CH2 3.66Å; L49-W143 HydrophobicContact CD2-CZ2 3.45Å; L49-W143 VanDerWaalsContact CD2-CZ2 3.45Å; V52-W143 HydrophobicContact CB-CH2 3.92Å; V52-W143 HydrophobicContact CB-CZ2 3.98Å; V52-W143 HydrophobicContact CB-CZ3 4.22Å; V52-W143 HydrophobicContact CG1-CD2 3.42Å; V52-W143 VanDerWaalsContact CG1-CD2 3.42Å; V52-W143 VanDerWaalsContact CG1-CE2 3.49Å; V52-W143 HydrophobicContact CG1-CE3 3.59Å; V52-W143 HydrophobicContact CG1-CG 3.94Å; V52-W143 HydrophobicContact CG1-CH2 3.79Å; V52-W143 HydrophobicContact CG1-CZ2 3.66Å; V52-W143 HydrophobicContact CG1-CZ3 3.77Å; V52-W143 HydrophobicContact CG2-CH2 3.98Å; V52-W143 HydrophobicContact CG2-CZ3 4Å; W53-W143 AromaticContact CE2-NE1 3.62Å; W53-W143 AromaticContact CZ2-NE1 3.69Å; W53-W143 AromaticContact NE1-NE1 3.83Å; L56-W143 HydrophobicContact CD1-CB 3.81Å; L56-W143 HydrophobicContact CD1-CD2 4.41Å; L56-W143 HydrophobicContact CD1-CG 3.6Å; P139-W143 WeakPolarHBondContact O-CB 3.44Å; P139-W143 PolarHBondContact O-N 3.41Å; Y140-W143 WeakPolarHBondContact O-CB 3.34Å; Y140-W143 PolarHBondContact O-N 3.16Å; L141-W143 VanDerWaalsContact C-N 3.29Å; L141-W143 PolarHBondContact O-N 3.37Å; W143-A145 PolarHBondContact O-N 2.85Å; W143-F146 HydrophobicContact CE3-CD1 4.27Å; W143-F146 HydrophobicContact CZ3-CD1 4.12Å; W143-F146 WeakPolarHBondContact O-CB 3.46Å; W143-F146 PolarHBondContact O-N 3.35Å; W143-A147 WeakPolarHBondContact O-CB 3.41Å; W143-A147 PolarHBondContact O-N 3.49Å
144L73.9Confident72.8Confident2 Ų247.7 Ų47.71%0.0125%0.249CC..Hα-helixtrans-64.9-38.5177.3-75.3170.2000112.6V115 A119 Y140 L141 F146 A147 T148V115-L144 HydrophobicContact CG1-CD2 3.9Å; A119-L144 HydrophobicContact CB-CD1 3.29Å; Y140-L144 HydrophobicContact CD1-CD1 3.67Å; Y140-L144 HydrophobicContact CD1-CG 4.45Å; Y140-L144 HydrophobicContact CE1-CD1 3.17Å; Y140-L144 HydrophobicContact CE1-CG 4.04Å; Y140-L144 WeakPolarHBondContact O-CG 3.33Å; Y140-L144 PolarHBondContact O-N 3.12Å; L141-L144 PolarHBondContact O-N 2.88Å; L144-F146 VanDerWaalsContact C-N 3.33Å; L144-A147 PolarHBondContact O-N 3.15Å; L144-T148 WeakPolarHBondContact O-CB 3.45Å; L144-T148 PolarHBondContact O-N 3.5Å; L144-T148 PolarHBondContact O-OG1 3.34Å
145A73.8Confident72.7Confident54 Ų5451.5 Ų51.545%0.44626%0.263SS..Hα-helixtrans-63.4-41.6173.100000111.3L141 A142 W143 T148 T149L141-A145 WeakPolarHBondContact O-CB 3.26Å; L141-A145 PolarHBondContact O-N 3.07Å; A142-A145 PolarHBondContact O-N 3.4Å; W143-A145 PolarHBondContact O-N 2.85Å; A145-T148 PolarHBondContact O-N 3.43Å; A145-T149 WeakPolarHBondContact O-CB 3.3Å; A145-T149 PolarHBondContact O-N 3.16Å; A145-T149 PolarHBondContact O-OG1 2.78Å
146F74.2Confident72.5Confident85 Ų8550 Ų5037%0.37326%0.258SS..Hα-helixtrans-62-47.8174.1-176.8-97000111.8P44 A142 W143 L144 T148 T149 L150P44-F146 HydrophobicContact CG-CE1 3.77Å; P44-F146 HydrophobicContact CG-CZ 3.95Å; A142-F146 WeakPolarHBondContact O-CB 3.35Å; A142-F146 PolarHBondContact O-N 3.28Å; W143-F146 HydrophobicContact CE3-CD1 4.27Å; W143-F146 HydrophobicContact CZ3-CD1 4.12Å; W143-F146 WeakPolarHBondContact O-CB 3.46Å; W143-F146 PolarHBondContact O-N 3.35Å; L144-F146 VanDerWaalsContact C-N 3.33Å; F146-T148 VanDerWaalsContact C-N 3.32Å; F146-T148 PolarHBondContact O-N 3.43Å; F146-T149 PolarHBondContact O-N 3.21Å; F146-L150 HydrophobicContact CE1-CD1 3.8Å; F146-L150 HydrophobicContact CZ-CD1 4.2Å; F146-L150 VanDerWaalsContact O-CB 3.27Å; F146-L150 WeakPolarHBondContact O-CB 3.1Å; F146-L150 PolarHBondContact O-N 3.36Å
147A72.2Confident72.3Confident19 Ų1950.3 Ų50.316%0.15726%0.26CS..Hα-helixtrans-62-39.7178.400000112.1L112 W143 L144 L150 N151L112-A147 VanDerWaalsContact CD2-C 3.48Å; L112-A147 HydrophobicContact CD2-CB 3.98Å; L112-A147 WeakPolarHBondContact CD2-O 3.29Å; W143-A147 WeakPolarHBondContact O-CB 3.41Å; W143-A147 PolarHBondContact O-N 3.49Å; L144-A147 PolarHBondContact O-N 3.15Å; A147-L150 PolarHBondContact O-N 3.5Å; A147-N151 WeakPolarHBondContact O-CB 3.34Å; A147-N151 PolarHBondContact O-N 2.78Å; A147-N151 PolarHBondContact O-ND2 3.41Å
148T71.6Confident71.9Confident24 Ų2450.9 Ų50.915%0.14726%0.263CS..Hα-helixtrans-64.6-46.2175.7-58.10000111.4L109 L113 S116 L144 A145 F146 L150 N151 Y152L109-T148 HydrophobicContact CD2-CG2 4.41Å; L113-T148 HydrophobicContact CD2-CG2 4.3Å; L113-T148 HydrophobicContact CG-CG2 4.37Å; S116-T148 PolarHBondContact OG-OG1 2.99Å; L144-T148 WeakPolarHBondContact O-CB 3.45Å; L144-T148 PolarHBondContact O-N 3.5Å; L144-T148 PolarHBondContact O-OG1 3.34Å; A145-T148 PolarHBondContact O-N 3.43Å; F146-T148 VanDerWaalsContact C-N 3.32Å; F146-T148 PolarHBondContact O-N 3.43Å; T148-L150 VanDerWaalsContact C-N 3.32Å; T148-L150 PolarHBondContact O-N 3.27Å; T148-N151 PolarHBondContact O-N 3.31Å; T148-Y152 WeakPolarHBondContact O-CB 3.48Å; T148-Y152 PolarHBondContact O-N 3.41Å
149T70.3Confident70.9Confident85 Ų8551.9 Ų51.952%0.52127%0.266SS..Hα-helixtrans-62-43.1177.8-55.40000111.1A145 F146 Y152 C153A145-T149 WeakPolarHBondContact O-CB 3.3Å; A145-T149 PolarHBondContact O-N 3.16Å; A145-T149 PolarHBondContact O-OG1 2.78Å; F146-T149 PolarHBondContact O-N 3.21Å; T149-Y152 PolarHBondContact O-N 3.05Å; T149-C153 PolarHBondContact O-N 3.49Å; T149-C153 PolarHBondContact O-SG 2.98Å; T149-C153 VanDerWaalsContact O-SG 3.34Å
150L70Confident69.7Low26 Ų2651.1 Ų51.114%0.13627%0.27CS..Hα-helixtrans-65.3-44.2178.6-177.6154.2000111.6Y34 H43 F146 A147 T148 Y152 C153 V154Y34-L150 WeakPolarHBondContact OH-CD2 3.28Å; H43-L150 VanDerWaalsContact CE1-CG 3.48Å; H43-L150 WeakPolarHBondContact CE1-CG 3.45Å; H43-L150 WeakPolarHBondContact NE2-CD1 3.5Å; H43-L150 WeakPolarHBondContact NE2-CD2 3.41Å; H43-L150 VanDerWaalsContact NE2-CG 3.32Å; H43-L150 WeakPolarHBondContact NE2-CG 3.46Å; F146-L150 HydrophobicContact CE1-CD1 3.8Å; F146-L150 HydrophobicContact CZ-CD1 4.2Å; F146-L150 VanDerWaalsContact O-CB 3.27Å; F146-L150 WeakPolarHBondContact O-CB 3.1Å; F146-L150 PolarHBondContact O-N 3.36Å; A147-L150 PolarHBondContact O-N 3.5Å; T148-L150 VanDerWaalsContact C-N 3.32Å; T148-L150 PolarHBondContact O-N 3.27Å; L150-Y152 VanDerWaalsContact C-N 3.34Å; L150-Y152 PolarHBondContact O-N 3.42Å; L150-C153 PolarHBondContact O-N 3.19Å; L150-V154 HydrophobicContact CD2-CG2 4.43Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.17Å; L150-V154 PolarHBondContact O-N 2.86Å
151N72Confident68.5Low11 Ų1154 Ų546%0.05928%0.282CS..Hα-helixtrans-60.6-42.5172.4-93.3-89.7000112.4F99 L109 L112 A147 T148 V154 W155F99-N151 WeakPolarHBondContact CE2-OD1 3.28Å; L109-N151 HydrophobicContact CG-CB 4.27Å; L112-N151 HydrophobicContact CD2-CB 4.1Å; L112-N151 VanDerWaalsContact CD2-ND2 3.34Å; L112-N151 WeakPolarHBondContact CD2-ND2 3.29Å; A147-N151 WeakPolarHBondContact O-CB 3.34Å; A147-N151 PolarHBondContact O-N 2.78Å; A147-N151 PolarHBondContact O-ND2 3.41Å; T148-N151 PolarHBondContact O-N 3.31Å; N151-V154 PolarHBondContact O-N 3.04Å; N151-W155 WeakPolarHBondContact O-CB 3.29Å; N151-W155 PolarHBondContact O-N 3.3Å
152Y70.6Confident67.1Low108 Ų10861.8 Ų61.842%0.42431%0.307SS..Hα-helixtrans-64.1-43.5177.8-178.4-93.5000112.4L109 T148 T149 L150 W155 R156L109-Y152 HydrophobicContact CD1-CD2 4.15Å; T148-Y152 WeakPolarHBondContact O-CB 3.48Å; T148-Y152 PolarHBondContact O-N 3.41Å; T149-Y152 PolarHBondContact O-N 3.05Å; L150-Y152 VanDerWaalsContact C-N 3.34Å; L150-Y152 PolarHBondContact O-N 3.42Å; Y152-W155 HydrophobicContact CD2-CE3 4.31Å; Y152-W155 HydrophobicContact CE2-CE3 4.23Å; Y152-W155 HydrophobicContact CE2-CZ3 4.11Å; Y152-W155 PolarHBondContact O-N 3.44Å; Y152-R156 VanDerWaalsContact O-CB 3.28Å; Y152-R156 WeakPolarHBondContact O-CB 3.35Å; Y152-R156 PolarHBondContact O-N 2.97Å
153C69.4Low65.7Low26 Ų2662.6 Ų62.618%0.17632%0.322CS..Hα-helixtrans-61.5-46.7174-72.30000111.3P40 T149 L150 W155 R156 D157P40-C153 HydrophobicContact CG-CB 4.11Å; T149-C153 PolarHBondContact O-N 3.49Å; T149-C153 PolarHBondContact O-SG 2.98Å; T149-C153 VanDerWaalsContact O-SG 3.34Å; L150-C153 PolarHBondContact O-N 3.19Å; C153-W155 VanDerWaalsContact C-N 3.32Å; C153-W155 PolarHBondContact O-N 3.09Å; C153-R156 PolarHBondContact O-N 3.43Å; C153-D157 WeakPolarHBondContact O-CB 3.49Å; C153-D157 PolarHBondContact O-N 3.08Å
154V66.6Low64.1Low2 Ų263.7 Ų63.71%0.01234%0.343CS..Hα-helixtrans-60.9-41.6177.4171.40000111.5M105 L150 N151 N158M105-V154 HydrophobicContact SD-CG1 4.02Å; L150-V154 HydrophobicContact CD2-CG2 4.43Å; L150-V154 VanDerWaalsContact O-CG2 3.28Å; L150-V154 WeakPolarHBondContact O-CG2 3.17Å; L150-V154 PolarHBondContact O-N 2.86Å; N151-V154 PolarHBondContact O-N 3.04Å; V154-N158 WeakPolarHBondContact O-CB 3.47Å; V154-N158 PolarHBondContact O-N 2.85Å; V154-N158 PolarHBondContact O-ND2 3.01Å
155W67.6Low62.7Low81 Ų8173.4 Ų73.431%0.30738%0.38SS..Hα-helixtrans-66.3-46.4176.6176.872.8000112.1L109 N151 Y152 C153 N158 R159L109-W155 HydrophobicContact CD1-CB 3.98Å; L109-W155 HydrophobicContact CD1-CD2 4.4Å; L109-W155 HydrophobicContact CD1-CE3 4.41Å; L109-W155 HydrophobicContact CD1-CG 4.23Å; N151-W155 WeakPolarHBondContact O-CB 3.29Å; N151-W155 PolarHBondContact O-N 3.3Å; Y152-W155 HydrophobicContact CD2-CE3 4.31Å; Y152-W155 HydrophobicContact CE2-CE3 4.23Å; Y152-W155 HydrophobicContact CE2-CZ3 4.11Å; Y152-W155 PolarHBondContact O-N 3.44Å; C153-W155 VanDerWaalsContact C-N 3.32Å; C153-W155 PolarHBondContact O-N 3.09Å; W155-N158 CarbonylContact O-C 3.36Å; W155-N158 PolarHBondContact O-N 3.33Å; W155-R159 HydrophobicContact CD2-CG 4.42Å; W155-R159 VanDerWaalsContact CH2-NE 3.32Å; W155-R159 HydrophobicContact CZ2-CG 4.43Å; W155-R159 VanDerWaalsContact CZ3-NE 3.34Å; W155-R159 WeakPolarHBondContact O-CG 3.41Å; W155-R159 PolarHBondContact O-N 3.32Å
156R69.8Low61.1Low124 Ų12480.1 Ų80.147%0.46839%0.393SS..Hα-helixtrans-59.8-47.3178.6-176.5-169.767.5-172-3.6111.2Y152 C153 N158 R159Y152-R156 VanDerWaalsContact O-CB 3.28Å; Y152-R156 WeakPolarHBondContact O-CB 3.35Å; Y152-R156 PolarHBondContact O-N 2.97Å; C153-R156 PolarHBondContact O-N 3.43Å; R156-N158 VanDerWaalsContact C-N 3.32Å; R156-N158 PolarHBondContact O-N 3.46Å; R156-R159 WeakPolarHBondContact O-CB 3.2Å; R156-R159 PolarHBondContact O-N 3.24Å
157D66.6Low59.9Low62 Ų6282.5 Ų82.533%0.33241%0.409SS..Hα-helixtrans-74.5-25.1-175.9-60.8-7.1000111.2C153C153-D157 WeakPolarHBondContact O-CB 3.49Å; C153-D157 PolarHBondContact O-N 3.08Å
158N63.1Low58.7Low14 Ų1487.3 Ų87.38%0.07544%0.439CS..THydrogen-bonded Turntrans-104.223.3172.7-65.8-75.1000114.1L37 Q38 M105 V154 W155 R156 G160 W161L37-N158 HydrophobicContact CD2-CB 3.94Å; L37-N158 VanDerWaalsContact CD2-ND2 3.32Å; L37-N158 WeakPolarHBondContact CD2-ND2 3.35Å; Q38-N158 PolarHBondContact N-OD1 3.09Å; Q38-N158 PolarHBondContact O-ND2 3.5Å; Q38-N158 VanDerWaalsContact O-ND2 3.16Å; M105-N158 HydrophobicContact CE-CB 4.22Å; M105-N158 HydrophobicContact SD-CB 4.17Å; V154-N158 WeakPolarHBondContact O-CB 3.47Å; V154-N158 PolarHBondContact O-N 2.85Å; V154-N158 PolarHBondContact O-ND2 3.01Å; W155-N158 CarbonylContact O-C 3.36Å; W155-N158 PolarHBondContact O-N 3.33Å; R156-N158 VanDerWaalsContact C-N 3.32Å; R156-N158 PolarHBondContact O-N 3.46Å; N158-G160 PolarHBondContact O-N 2.95Å; N158-W161 HydrophobicContact CB-CB 4.06Å; N158-W161 WeakPolarHBondContact O-CB 3.06Å; N158-W161 PolarHBondContact O-N 2.92Å
159R56.3Low57.4Low145 Ų14599 Ų9955%0.54749%0.492SS..THydrogen-bonded Turntrans-57.6-22.9176.6-96.8177.5172.6-176-4.5113.6W155 R156W155-R159 HydrophobicContact CD2-CG 4.42Å; W155-R159 VanDerWaalsContact CH2-NE 3.32Å; W155-R159 HydrophobicContact CZ2-CG 4.43Å; W155-R159 VanDerWaalsContact CZ3-NE 3.34Å; W155-R159 WeakPolarHBondContact O-CG 3.41Å; W155-R159 PolarHBondContact O-N 3.32Å; R156-R159 WeakPolarHBondContact O-CB 3.2Å; R156-R159 PolarHBondContact O-N 3.24Å
160G51.5Low56.8Low54 Ų5499.7 Ų99.756%0.55749%0.49SS*.THydrogen-bonded Turntrans-85.6-4.2173.900000115.3N158 R162N158-G160 PolarHBondContact O-N 2.95Å; G160-R162 PolarHBondContact O-N 3.38Å
161W48.3Very low56.1Low67 Ų67103.6 Ų103.625%0.25451%0.509SS..  trans-102.370.5-174.7-136.364.7000110.7W33 L37 M105 N158W33-W161 AromaticContact NE1-CZ3 3.48Å; L37-W161 HydrophobicContact CD2-CE3 4.06Å; L37-W161 HydrophobicContact CD2-CZ3 4.35Å; M105-W161 HydrophobicContact CE-CE3 4.31Å; N158-W161 HydrophobicContact CB-CB 4.06Å; N158-W161 WeakPolarHBondContact O-CB 3.06Å; N158-W161 PolarHBondContact O-N 2.92Å
162R45.3Very low55.2Low213 Ų213108.7 Ų108.780%0.80453%0.534SS*.  trans-86.8116172.5-74-171.9-179.9-155.71.2109.8G160 G164G160-R162 PolarHBondContact O-N 3.38Å; R162-G164 PolarHBondContact O-N 3.05Å
163G48.2Very low54.3Low81 Ų81108.8 Ų108.884%0.83554%0.54SS*.THydrogen-bonded Turntrans68.538.4163.600000115.9R165G163-R165 VanDerWaalsContact C-N 3.27Å; G163-R165 PolarHBondContact O-N 3.26Å
164G45.3Very low53.3Low55 Ų55113.9 Ų113.957%0.56756%0.563SS**THydrogen-bonded Turntrans73.29.7170.200000116R162R162-G164 PolarHBondContact O-N 3.05Å
165R43.3Very low52.4Low206 Ų206121.4 Ų121.478%0.77760%0.6SS**  trans-125.8127.8167-84.8-176.7-103.6-168.3-5109.6G163 L167G163-R165 VanDerWaalsContact C-N 3.27Å; G163-R165 PolarHBondContact O-N 3.26Å; R165-L167 PolarHBondContact O-N 3.22Å
166R41.5Very low51.4Low194 Ų194124.3 Ų124.373%0.73262%0.621SS**PPolyproline II helixtrans-61.2123.5159.4-82.3-174.1-175.9-175.72.3106.4
167L47.5Very low49.9Very low136 Ų136124.3 Ų124.371%0.71263%0.633SS**PPolyproline II helixtrans-64.5128.6164-73.8162.5000107R165R165-L167 PolarHBondContact O-N 3.22Å
168P47.2Very low48.6Very low119 Ų119129.5 Ų129.577%0.77366%0.658SS**PPolyproline II helixtrans-62.5142.7166.626.2-28.2000108.5
169E45.1Very low47.2Very low270 Ų270140 Ų140100%1.26271%0.711SS**  trans-54.90177-60.7-160151.400113

Retrieved 169 of 169 residues in 57.1 ms (Link to these results)

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