A0A060KZN7_PANTA Loading...

Microsomal glutathione S-transferase 2

Catalyzes several different glutathione-dependent reactions. Catalyzes the glutathione-dependent reduction of lipid hydroperoxides, such as 5-HPETE. Has glutathione transferase activity, toward xenobiotic electrophiles, such as 1-chloro-2, 4-dinitrobenzene (CDNB). Catalyzes also the conjugation of leukotriene A4 with reduced glutathione to form leukotriene C4 (LTC4). Involved in oxidative DNA damage induced by ER stress and anticancer agents by activating LTC4 biosynthetic machinery in nonimmune cells.

AlphaFold DB , UniProt , Accession A0A060KZN7, Species PANTA (Panthera tigris altaica, Siberian tiger), Gene MGST2, Length 146 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
1M47.2Very low83.2Confident225 Ų22574 Ų74100%1.10845%0.45SS*.  0-53.20-103.3179.4-88.600113.3G3M1-G3 PolarHBondContact O-N 2.93Å
2A48Very low84.5Confident84 Ų8469.3 Ų69.369%0.69442%0.422SS*.G310 helixtrans-69.1-23.7-179.400000115.9H4 S5 I6A2-H4 VanDerWaalsContact C-N 3.3Å; A2-H4 PolarHBondContact O-N 3.49Å; A2-S5 PolarHBondContact O-N 2.86Å; A2-I6 WeakPolarHBondContact O-CG1 3.32Å
3G60.9Low85.6Confident50 Ų5071.2 Ų71.252%0.51543%0.434SS..G310 helixtrans-61-31.4-176.400000115.1M1 S5M1-G3 PolarHBondContact O-N 2.93Å; G3-S5 VanDerWaalsContact C-N 3.26Å; G3-S5 PolarHBondContact O-N 2.82Å
4H76.8Confident86.6Confident145 Ų14572.1 Ų72.167%0.67144%0.435SS*.G310 helixtrans-84.110-175-56.8-69.7000114.2A2 Q76A2-H4 VanDerWaalsContact C-N 3.3Å; A2-H4 PolarHBondContact O-N 3.49Å; H4-Q76 VanDerWaalsContact C-OE1 3.31Å; H4-Q76 PolarHBondContact O-NE2 3.22Å; H4-Q76 PolarHBondContact O-OE1 3.39Å
5S94.7Very high87.4Confident23 Ų2367.5 Ų67.516%0.16141%0.407CS..G310 helixtrans-139.84.5-179.5-62.10000114.2A2 G3 L7 L8 A9 W72 Q76A2-S5 PolarHBondContact O-N 2.86Å; G3-S5 VanDerWaalsContact C-N 3.26Å; G3-S5 PolarHBondContact O-N 2.82Å; S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 2.61Å; S5-L8 PolarHBondContact O-N 2.66Å; S5-L8 VanDerWaalsContact O-N 3.1Å; S5-A9 PolarHBondContact O-N 3.13Å; S5-W72 PolarHBondContact OG-NE1 3.3Å; S5-Q76 VanDerWaalsContact C-NE2 3.3Å
6I97Very high88.1Confident109 Ų10965.7 Ų65.756%0.55940%0.401SS*.Hα-helixtrans-54.1-45-178.6-63.3175.9000111.7A2 L8 A9 A10A2-I6 WeakPolarHBondContact O-CG1 3.32Å; I6-L8 PolarHBondContact O-N 3.12Å; I6-A9 PolarHBondContact O-N 3.43Å; I6-A10 WeakPolarHBondContact O-CB 3.16Å; I6-A10 PolarHBondContact O-N 2.97Å
7L97.4Very high88.7Confident73 Ų7366.3 Ų66.338%0.38241%0.408SS..Hα-helixtrans-65.4-37.2-179.3-60.1176.8000113.2S5 V11 Q76 V77 T80S5-L7 VanDerWaalsContact C-N 3.3Å; S5-L7 PolarHBondContact O-N 2.61Å; L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.33Å; L7-V11 VanDerWaalsContact O-N 3.1Å; L7-Q76 HydrophobicContact CB-CG 4.33Å; L7-Q76 HydrophobicContact CD1-CG 4.5Å; L7-V77 HydrophobicContact CD1-CG2 4.16Å; L7-T80 HydrophobicContact CB-CG2 4.11Å; L7-T80 WeakPolarHBondContact CB-OG1 3.36Å
8L98.3Very high89.3Confident0 Ų063.7 Ų63.70%039%0.39CS..Hα-helixtrans-72.1-40.1178.6-55.4175.4000110.5S5 I6 V11 S12 L67 W68 Q76 A79S5-L8 PolarHBondContact O-N 2.66Å; S5-L8 VanDerWaalsContact O-N 3.1Å; I6-L8 PolarHBondContact O-N 3.12Å; L8-V11 PolarHBondContact O-N 3.34Å; L8-S12 WeakPolarHBondContact O-CB 3.38Å; L8-S12 PolarHBondContact O-N 3.04Å; L8-S12 PolarHBondContact O-OG 3.03Å; L8-L67 HydrophobicContact CD2-CD1 4.11Å; L8-L67 HydrophobicContact CD2-CG 4.28Å; L8-W68 HydrophobicContact CD1-CE3 4.26Å; L8-Q76 HydrophobicContact CD1-CG 4.21Å; L8-Q76 HydrophobicContact CD2-CG 4.18Å; L8-Q76 HydrophobicContact CG-CG 3.86Å; L8-A79 HydrophobicContact CD2-CB 4.04Å
9A98.3Very high89.8Confident41 Ų4161.7 Ų61.734%0.33938%0.376SS..Hα-helixtrans-61.6-45174.400000111.3S5 I6 V11 S12 V13S5-A9 PolarHBondContact O-N 3.13Å; I6-A9 PolarHBondContact O-N 3.43Å; A9-V11 PolarHBondContact O-N 2.97Å; A9-S12 WeakPolarHBondContact O-CB 3.39Å; A9-S12 PolarHBondContact O-N 3.47Å; A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 3.42Å
10A98.4Very high90.2Very high60 Ų6062.3 Ų62.350%0.49638%0.383SS..Hα-helixtrans-59.7-46.3176.400000112.2I6 S12 V13 L14I6-A10 WeakPolarHBondContact O-CB 3.16Å; I6-A10 PolarHBondContact O-N 2.97Å; A10-S12 VanDerWaalsContact C-N 3.33Å; A10-S12 PolarHBondContact O-N 3.36Å; A10-V13 PolarHBondContact O-N 2.92Å; A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 PolarHBondContact O-N 3.36Å
11V98.7Very high90.7Very high4 Ų463.2 Ų63.22%0.02438%0.38CS..Hα-helixtrans-62.8-40.1175.21720000111.4L7 L8 A9 L14 S15 F63 L67 T80 L84 I87L7-V11 WeakPolarHBondContact O-CG2 3.25Å; L7-V11 PolarHBondContact O-N 3.33Å; L7-V11 VanDerWaalsContact O-N 3.1Å; L8-V11 PolarHBondContact O-N 3.34Å; A9-V11 PolarHBondContact O-N 2.97Å; V11-L14 PolarHBondContact O-N 3.43Å; V11-S15 WeakPolarHBondContact O-CB 3.31Å; V11-S15 PolarHBondContact O-N 3.32Å; V11-S15 PolarHBondContact O-OG 3.46Å; V11-F63 HydrophobicContact CG1-CZ 4.09Å; V11-L67 HydrophobicContact CB-CD2 4.27Å; V11-L67 HydrophobicContact CG1-CD1 4.43Å; V11-L67 HydrophobicContact CG1-CD2 3.75Å; V11-T80 HydrophobicContact CG2-CG2 3.79Å; V11-L84 HydrophobicContact CG2-CD2 4.12Å; V11-L84 HydrophobicContact CG2-CG 4.24Å; V11-I87 HydrophobicContact CG1-CD1 3.95Å
12S98.8Very high93.1Very high17 Ų1752.5 Ų52.512%0.11933%0.327CS..Hα-helixtrans-64.5-42179.4-59.30000112.1L8 A9 A10 S15 A16 Y60 W68L8-S12 WeakPolarHBondContact O-CB 3.38Å; L8-S12 PolarHBondContact O-N 3.04Å; L8-S12 PolarHBondContact O-OG 3.03Å; A9-S12 WeakPolarHBondContact O-CB 3.39Å; A9-S12 PolarHBondContact O-N 3.47Å; A10-S12 VanDerWaalsContact C-N 3.33Å; A10-S12 PolarHBondContact O-N 3.36Å; S12-S15 WeakPolarHBondContact CA-OG 3.36Å; S12-S15 PolarHBondContact O-N 2.91Å; S12-S15 PolarHBondContact O-OG 2.9Å; S12-A16 WeakPolarHBondContact O-CB 3.4Å; S12-A16 PolarHBondContact O-N 3.03Å; S12-Y60 PolarHBondContact O-OH 3.27Å; S12-W68 PolarHBondContact OG-NE1 3.15Å
13V98.8Very high95.5Very high95 Ų9550.6 Ų50.658%0.57631%0.312SS*.Hα-helixtrans-65.4-45.7174.8172.10000110.4A9 A10 S15 A16 C17A9-V13 WeakPolarHBondContact O-CG2 3.46Å; A9-V13 PolarHBondContact O-N 3.42Å; A10-V13 PolarHBondContact O-N 2.92Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.29Å; V13-A16 WeakPolarHBondContact O-CB 3.42Å; V13-A16 PolarHBondContact O-N 3.26Å; V13-A16 VanDerWaalsContact O-N 3.16Å; V13-C17 PolarHBondContact O-N 3.15Å; V13-C17 PolarHBondContact O-SG 3.06Å; V13-C17 VanDerWaalsContact O-SG 3.35Å
14L98.8Very high97.3Very high84 Ų8453.7 Ų53.744%0.4432%0.316SS..Hα-helixtrans-58.9-43.1176.7179.662.9000111.8A10 V11 A16 C17 Q18 L84 I87A10-L14 WeakPolarHBondContact O-CB 3.44Å; A10-L14 PolarHBondContact O-N 3.36Å; V11-L14 PolarHBondContact O-N 3.43Å; L14-A16 VanDerWaalsContact C-N 3.35Å; L14-C17 WeakPolarHBondContact O-CB 3.31Å; L14-C17 PolarHBondContact O-N 2.97Å; L14-Q18 PolarHBondContact O-N 3.03Å; L14-L84 HydrophobicContact CD2-CD2 3.79Å; L14-I87 HydrophobicContact CB-CD1 4.29Å; L14-I87 HydrophobicContact CD2-CD1 3.93Å; L14-I87 HydrophobicContact CG-CD1 4Å
15S98.8Very high98.4Very high2 Ų248.5 Ų48.51%0.01429%0.292CS..Hα-helixtrans-68.3-34.3177.564.80000112.5V11 S12 V13 Q18 Q19 Y60V11-S15 WeakPolarHBondContact O-CB 3.31Å; V11-S15 PolarHBondContact O-N 3.32Å; V11-S15 PolarHBondContact O-OG 3.46Å; S12-S15 WeakPolarHBondContact CA-OG 3.36Å; S12-S15 PolarHBondContact O-N 2.91Å; S12-S15 PolarHBondContact O-OG 2.9Å; V13-S15 VanDerWaalsContact C-N 3.31Å; V13-S15 PolarHBondContact O-N 3.29Å; S15-Q18 WeakPolarHBondContact O-CB 3.42Å; S15-Q18 PolarHBondContact O-N 2.93Å; S15-Q19 WeakPolarHBondContact O-CG 3.48Å; S15-Q19 PolarHBondContact O-N 3.42Å; S15-Y60 WeakPolarHBondContact OG-CE2 3.3Å; S15-Y60 PolarHBondContact OG-OH 3.42Å
16A98.8Very high98.6Very high39 Ų3948 Ų4832%0.32229%0.287SS..Hα-helixtrans-64.1-42.1172.700000111.2S12 V13 L14 Q18 Q19 S20 Y60S12-A16 WeakPolarHBondContact O-CB 3.4Å; S12-A16 PolarHBondContact O-N 3.03Å; V13-A16 WeakPolarHBondContact O-CB 3.42Å; V13-A16 PolarHBondContact O-N 3.26Å; V13-A16 VanDerWaalsContact O-N 3.16Å; L14-A16 VanDerWaalsContact C-N 3.35Å; A16-Q18 VanDerWaalsContact C-N 3.29Å; A16-Q18 PolarHBondContact O-N 3.46Å; A16-Q19 PolarHBondContact O-N 2.89Å; A16-S20 PolarHBondContact O-N 2.91Å; A16-S20 PolarHBondContact O-OG 3.49Å; A16-Y60 WeakPolarHBondContact CA-OH 3.46Å; A16-Y60 PolarHBondContact N-OH 2.97Å
17C98.9Very high98.6Very high76 Ų7644.4 Ų44.451%0.51428%0.278SS..Hα-helixtrans-59-39.9172.5-67.20000111.9V13 L14 S20 Y21V13-C17 PolarHBondContact O-N 3.15Å; V13-C17 PolarHBondContact O-SG 3.06Å; V13-C17 VanDerWaalsContact O-SG 3.35Å; L14-C17 WeakPolarHBondContact O-CB 3.31Å; L14-C17 PolarHBondContact O-N 2.97Å; C17-S20 PolarHBondContact O-N 3.36Å; C17-Y21 WeakPolarHBondContact O-CB 3.44Å; C17-Y21 PolarHBondContact O-N 3.43Å
18Q98.8Very high98.7Very high19 Ų1947.2 Ų47.29%0.08929%0.287CS..Hα-helixtrans-63.5-42.1174.5179.6179.366.800112.4L14 S15 A16 Y21 F22 I87L14-Q18 PolarHBondContact O-N 3.03Å; S15-Q18 WeakPolarHBondContact O-CB 3.42Å; S15-Q18 PolarHBondContact O-N 2.93Å; A16-Q18 VanDerWaalsContact C-N 3.29Å; A16-Q18 PolarHBondContact O-N 3.46Å; Q18-Y21 WeakPolarHBondContact O-CB 3.46Å; Q18-Y21 PolarHBondContact O-N 3.2Å; Q18-F22 HydrophobicContact CG-CD2 4.11Å; Q18-F22 HydrophobicContact CG-CE1 4.1Å; Q18-F22 HydrophobicContact CG-CE2 3.45Å; Q18-F22 VanDerWaalsContact CG-CE2 3.45Å; Q18-F22 HydrophobicContact CG-CZ 3.44Å; Q18-F22 VanDerWaalsContact CG-CZ 3.44Å; Q18-F22 WeakPolarHBondContact O-CD2 3.43Å; Q18-F22 WeakPolarHBondContact O-CG 3.48Å; Q18-F22 PolarHBondContact O-N 3.29Å; Q18-I87 PolarHBondContact NE2-O 3.31Å
19Q98.8Very high98.7Very high26 Ų2647.5 Ų47.512%0.12129%0.289CS..Hα-helixtrans-63-43.8176.3-68.8-66.895.300111.6S15 A16 Y21 F22 A23 C56 Y60S15-Q19 WeakPolarHBondContact O-CG 3.48Å; S15-Q19 PolarHBondContact O-N 3.42Å; A16-Q19 PolarHBondContact O-N 2.89Å; Q19-Y21 VanDerWaalsContact C-N 3.32Å; Q19-Y21 PolarHBondContact O-N 3.44Å; Q19-F22 PolarHBondContact O-N 3.34Å; Q19-A23 PolarHBondContact O-N 3.43Å; Q19-C56 PolarHBondContact NE2-O 2.95Å; Q19-Y60 HydrophobicContact CG-CD1 4.33Å; Q19-Y60 HydrophobicContact CG-CD2 3.74Å; Q19-Y60 HydrophobicContact CG-CE1 4.41Å; Q19-Y60 HydrophobicContact CG-CE2 3.85Å; Q19-Y60 HydrophobicContact CG-CG 4Å
20S98.8Very high98.7Very high73 Ų7347.8 Ų47.851%0.5128%0.281SS..Hα-helixtrans-60.4-42.3173.6-630000111.6A16 C17 F22 A23 L24A16-S20 PolarHBondContact O-N 2.91Å; A16-S20 PolarHBondContact O-OG 3.49Å; C17-S20 PolarHBondContact O-N 3.36Å; S20-F22 PolarHBondContact O-N 3.42Å; S20-A23 PolarHBondContact O-N 2.84Å; S20-L24 WeakPolarHBondContact O-CG 3.49Å; S20-L24 PolarHBondContact O-N 2.93Å
21Y98.8Very high98.7Very high82 Ų8251.9 Ų51.932%0.32229%0.294SS..Hα-helixtrans-59.2-46.5174.9169.6-96.7000112.3C17 Q18 Q19 A23 L24 H25 W95C17-Y21 WeakPolarHBondContact O-CB 3.44Å; C17-Y21 PolarHBondContact O-N 3.43Å; Q18-Y21 WeakPolarHBondContact O-CB 3.46Å; Q18-Y21 PolarHBondContact O-N 3.2Å; Q19-Y21 VanDerWaalsContact C-N 3.32Å; Q19-Y21 PolarHBondContact O-N 3.44Å; Y21-A23 VanDerWaalsContact C-N 3.35Å; Y21-A23 PolarHBondContact O-N 3.45Å; Y21-L24 PolarHBondContact O-N 3.12Å; Y21-H25 AromaticContact CD2-CD2 3.89Å; Y21-H25 AromaticContact CD2-NE2 3.96Å; Y21-H25 AromaticContact CE1-CD2 3.69Å; Y21-H25 AromaticContact CE1-NE2 3.93Å; Y21-H25 AromaticContact CE2-CD2 3.54Å; Y21-H25 AromaticContact CE2-NE2 3.19Å; Y21-H25 WeakPolarHBondContact CE2-NE2 3.16Å; Y21-H25 AromaticContact CZ-CD2 3.45Å; Y21-H25 VanDerWaalsContact CZ-CD2 3.45Å; Y21-H25 AromaticContact CZ-NE2 3.19Å; Y21-H25 PolarHBondContact O-CD2 3.5Å; Y21-H25 VanDerWaalsContact O-CD2 3.3Å; Y21-H25 PolarHBondContact O-N 3.45Å; Y21-H25 PolarHBondContact OH-NE2 2.93Å; Y21-W95 HydrophobicContact CE1-CZ2 4.32Å; Y21-W95 AromaticContact CE1-NE1 3.87Å; Y21-W95 VanDerWaalsContact OH-CZ2 3.22Å; Y21-W95 WeakPolarHBondContact OH-CZ2 3.35Å; Y21-W95 PolarHBondContact OH-NE1 3.39Å
22F98.8Very high98.7Very high0 Ų058.8 Ų58.80%032%0.324CS..Hα-helixtrans-63-40.4175.8-62.5-30000112.3Q18 Q19 S20 L24 H25 V26 Q53 C56 F94Q18-F22 HydrophobicContact CG-CD2 4.11Å; Q18-F22 HydrophobicContact CG-CE1 4.1Å; Q18-F22 HydrophobicContact CG-CE2 3.45Å; Q18-F22 VanDerWaalsContact CG-CE2 3.45Å; Q18-F22 HydrophobicContact CG-CZ 3.44Å; Q18-F22 VanDerWaalsContact CG-CZ 3.44Å; Q18-F22 WeakPolarHBondContact O-CD2 3.43Å; Q18-F22 WeakPolarHBondContact O-CG 3.48Å; Q18-F22 PolarHBondContact O-N 3.29Å; Q19-F22 PolarHBondContact O-N 3.34Å; S20-F22 PolarHBondContact O-N 3.42Å; F22-L24 PolarHBondContact O-N 3.38Å; F22-H25 PolarHBondContact O-N 2.89Å; F22-V26 PolarHBondContact O-N 3.36Å; F22-Q53 HydrophobicContact CB-CB 4.34Å; F22-Q53 HydrophobicContact CB-CG 3.96Å; F22-C56 HydrophobicContact CD2-CB 4.1Å; F22-C56 HydrophobicContact CE2-CB 4.29Å; F22-F94 HydrophobicContact CB-CD2 4.12Å; F22-F94 HydrophobicContact CB-CE2 3.86Å; F22-F94 HydrophobicContact CB-CZ 4.18Å; F22-F94 HydrophobicContact CD1-CB 3.97Å; F22-F94 AromaticContact CD1-CD1 3.39Å; F22-F94 HydrophobicContact CD1-CD1 3.39Å; F22-F94 AromaticContact CD1-CD2 3.61Å; F22-F94 HydrophobicContact CD1-CD2 3.61Å; F22-F94 AromaticContact CD1-CE1 3.69Å; F22-F94 HydrophobicContact CD1-CE1 3.69Å; F22-F94 AromaticContact CD1-CE2 3.92Å; F22-F94 HydrophobicContact CD1-CE2 3.92Å; F22-F94 AromaticContact CD1-CG 3.35Å; F22-F94 HydrophobicContact CD1-CG 3.35Å; F22-F94 AromaticContact CD1-CZ 3.93Å; F22-F94 HydrophobicContact CD1-CZ 3.93Å; F22-F94 HydrophobicContact CD2-CD2 4.23Å; F22-F94 HydrophobicContact CD2-CG 4.45Å; F22-F94 HydrophobicContact CE1-CB 3.45Å; F22-F94 VanDerWaalsContact CE1-CB 3.45Å; F22-F94 AromaticContact CE1-CD1 3.48Å; F22-F94 HydrophobicContact CE1-CD1 3.48Å; F22-F94 VanDerWaalsContact CE1-CD1 3.48Å; F22-F94 HydrophobicContact CE1-CD2 4.03Å; F22-F94 HydrophobicContact CE1-CE1 4.22Å; F22-F94 AromaticContact CE1-CG 3.36Å; F22-F94 HydrophobicContact CE1-CG 3.36Å; F22-F94 HydrophobicContact CE2-CB 4.19Å; F22-F94 HydrophobicContact CE2-CG 4.44Å; F22-F94 HydrophobicContact CG-CD1 4.34Å; F22-F94 AromaticContact CG-CD2 3.74Å; F22-F94 HydrophobicContact CG-CD2 3.74Å; F22-F94 AromaticContact CG-CE2 3.97Å; F22-F94 HydrophobicContact CG-CE2 3.97Å; F22-F94 AromaticContact CG-CG 3.95Å; F22-F94 HydrophobicContact CG-CG 3.95Å; F22-F94 HydrophobicContact CG-CZ 4.33Å; F22-F94 HydrophobicContact CZ-CB 3.57Å; F22-F94 HydrophobicContact CZ-CD1 4.45Å; F22-F94 HydrophobicContact CZ-CD2 4.49Å; F22-F94 AromaticContact CZ-CG 3.93Å; F22-F94 HydrophobicContact CZ-CG 3.93Å
23A98.8Very high98.7Very high45 Ų4561 Ų6137%0.37233%0.33SS..Hα-helixtrans-61.9-42.1175.800000112.2Q19 S20 Y21 H25 V26 G27Q19-A23 PolarHBondContact O-N 3.43Å; S20-A23 PolarHBondContact O-N 2.84Å; Y21-A23 VanDerWaalsContact C-N 3.35Å; Y21-A23 PolarHBondContact O-N 3.45Å; A23-H25 VanDerWaalsContact C-N 3.29Å; A23-H25 PolarHBondContact O-N 2.94Å; A23-V26 WeakPolarHBondContact O-CB 3.37Å; A23-V26 PolarHBondContact O-N 2.93Å; A23-G27 PolarHBondContact O-N 3.3Å
24L98.8Very high98.6Very high114 Ų11465.3 Ų65.360%0.59734%0.341SS*.Hα-helixtrans-60.3-39.3173.8-70.7172.3000111.8S20 Y21 F22 G27 K28S20-L24 WeakPolarHBondContact O-CG 3.49Å; S20-L24 PolarHBondContact O-N 2.93Å; Y21-L24 PolarHBondContact O-N 3.12Å; F22-L24 PolarHBondContact O-N 3.38Å; L24-G27 PolarHBondContact O-N 2.87Å; L24-K28 WeakPolarHBondContact O-CG 3.42Å; L24-K28 PolarHBondContact O-N 3.35Å
25H98.6Very high98.6Very high37 Ų3761.8 Ų61.817%0.17132%0.323CS..Hα-helixtrans-66.3-36.9175.9-87.3-77.1000113.1Y21 F22 A23 K28 A29 F94 W95Y21-H25 AromaticContact CD2-CD2 3.89Å; Y21-H25 AromaticContact CD2-NE2 3.96Å; Y21-H25 AromaticContact CE1-CD2 3.69Å; Y21-H25 AromaticContact CE1-NE2 3.93Å; Y21-H25 AromaticContact CE2-CD2 3.54Å; Y21-H25 AromaticContact CE2-NE2 3.19Å; Y21-H25 WeakPolarHBondContact CE2-NE2 3.16Å; Y21-H25 AromaticContact CZ-CD2 3.45Å; Y21-H25 VanDerWaalsContact CZ-CD2 3.45Å; Y21-H25 AromaticContact CZ-NE2 3.19Å; Y21-H25 PolarHBondContact O-CD2 3.5Å; Y21-H25 VanDerWaalsContact O-CD2 3.3Å; Y21-H25 PolarHBondContact O-N 3.45Å; Y21-H25 PolarHBondContact OH-NE2 2.93Å; F22-H25 PolarHBondContact O-N 2.89Å; A23-H25 VanDerWaalsContact C-N 3.29Å; A23-H25 PolarHBondContact O-N 2.94Å; H25-K28 PolarHBondContact O-N 2.84Å; H25-A29 WeakPolarHBondContact O-CB 3.48Å; H25-A29 PolarHBondContact O-N 3.32Å; H25-F94 HydrophobicContact CB-CE1 4.1Å; H25-F94 HydrophobicContact CB-CZ 3.88Å; H25-W95 AromaticContact CE1-CH2 3.43Å; H25-W95 VanDerWaalsContact CE1-CH2 3.43Å; H25-W95 WeakPolarHBondContact CE1-CH2 3.41Å; H25-W95 AromaticContact CE1-CZ2 3.5Å; H25-W95 AromaticContact ND1-CH2 3.54Å; H25-W95 AromaticContact ND1-CZ2 3.87Å; H25-W95 AromaticContact NE2-CZ2 3.69Å
26V98.7Very high98.6Very high11 Ų1166.8 Ų66.87%0.06735%0.354CS..Hα-helixtrans-61.9-44.8169.91740000110.6F22 A23 K28 A29 R30 F46 I49 F50 Q53F22-V26 PolarHBondContact O-N 3.36Å; A23-V26 WeakPolarHBondContact O-CB 3.37Å; A23-V26 PolarHBondContact O-N 2.93Å; V26-K28 PolarHBondContact O-N 3.5Å; V26-A29 WeakPolarHBondContact O-CB 3.39Å; V26-A29 PolarHBondContact O-N 2.73Å; V26-A29 VanDerWaalsContact O-N 3.14Å; V26-R30 WeakPolarHBondContact O-CG 3.31Å; V26-R30 PolarHBondContact O-N 2.86Å; V26-F46 HydrophobicContact CG1-CE2 4.47Å; V26-I49 HydrophobicContact CG2-CG2 4.12Å; V26-F50 HydrophobicContact CG1-CD2 3.85Å; V26-Q53 HydrophobicContact CG2-CB 3.48Å; V26-Q53 VanDerWaalsContact CG2-CB 3.48Å; V26-Q53 HydrophobicContact CG2-CG 3.79Å
27G98.5Very high98.5Very high35 Ų3569.2 Ų69.236%0.36137%0.366SS..Hα-helixtrans-58-45.8175.900000112.7A23 L24 A29 R30 L31A23-G27 PolarHBondContact O-N 3.3Å; L24-G27 PolarHBondContact O-N 2.87Å; G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 3.39Å; G27-R30 WeakPolarHBondContact O-CB 3.28Å; G27-R30 PolarHBondContact O-N 3.09Å; G27-L31 PolarHBondContact O-N 3.31Å
28K98.5Very high98.4Very high132 Ų13271.8 Ų71.857%0.57438%0.382SS*.Hα-helixtrans-61.2-40.5173.8-71176.2-179.3179.30112.2L24 H25 V26 L31 K32L24-K28 WeakPolarHBondContact O-CG 3.42Å; L24-K28 PolarHBondContact O-N 3.35Å; H25-K28 PolarHBondContact O-N 2.84Å; V26-K28 PolarHBondContact O-N 3.5Å; K28-L31 PolarHBondContact O-N 2.95Å; K28-K32 WeakPolarHBondContact O-CB 3.16Å; K28-K32 PolarHBondContact O-N 3.49Å
29A98.4Very high98.4Very high5 Ų572.8 Ų72.84%0.04139%0.394CS..Hα-helixtrans-65.1-39177.200000111.7H25 V26 G27 L31 K32 Y33 F46 I49H25-A29 WeakPolarHBondContact O-CB 3.48Å; H25-A29 PolarHBondContact O-N 3.32Å; V26-A29 WeakPolarHBondContact O-CB 3.39Å; V26-A29 PolarHBondContact O-N 2.73Å; V26-A29 VanDerWaalsContact O-N 3.14Å; G27-A29 VanDerWaalsContact C-N 3.33Å; G27-A29 PolarHBondContact O-N 3.39Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.47Å; A29-K32 PolarHBondContact O-N 3.24Å; A29-Y33 HydrophobicContact CB-CD2 4.07Å; A29-Y33 HydrophobicContact CB-CE2 4.22Å; A29-Y33 WeakPolarHBondContact O-CB 3.27Å; A29-Y33 WeakPolarHBondContact O-CD2 3.3Å; A29-Y33 PolarHBondContact O-N 2.86Å; A29-F46 HydrophobicContact CB-CD2 3.91Å; A29-I49 HydrophobicContact CB-CB 4.46Å; A29-I49 HydrophobicContact CB-CD1 3.88Å; A29-I49 HydrophobicContact CB-CG2 4.16Å
30R98.6Very high98.4Very high47 Ų4775.2 Ų75.218%0.17741%0.41CS..Hα-helixtrans-56.2-45.4173.7-71.4-176.4170.8-75-0.1111.9V26 G27 K34 V35 A39 F46V26-R30 WeakPolarHBondContact O-CG 3.31Å; V26-R30 PolarHBondContact O-N 2.86Å; G27-R30 WeakPolarHBondContact O-CB 3.28Å; G27-R30 PolarHBondContact O-N 3.09Å; R30-K34 CarbonylContact O-C 3.58Å; R30-K34 VanDerWaalsContact O-CA 3.32Å; R30-K34 WeakPolarHBondContact O-CA 3.37Å; R30-K34 PolarHBondContact O-N 3.19Å; R30-V35 PolarHBondContact NH1-O 3.27Å; R30-V35 PolarHBondContact O-N 3.02Å; R30-A39 PolarHBondContact NH1-O 3.14Å; R30-A39 PolarHBondContact NH2-O 3.44Å; R30-F46 HydrophobicContact CB-CE2 4.46Å; R30-F46 HydrophobicContact CG-CD2 4.43Å; R30-F46 HydrophobicContact CG-CE2 3.5Å; R30-F46 VanDerWaalsContact CG-CE2 3.5Å; R30-F46 HydrophobicContact CG-CZ 4.03Å
31L98.4Very high98.3Very high146 Ų14675.4 Ų75.476%0.76441%0.411SS*.Hα-helixtrans-64.2-49176.8-63.4174.6000111.5G27 K28 A29 Y33 K34G27-L31 PolarHBondContact O-N 3.31Å; K28-L31 PolarHBondContact O-N 2.95Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 3.47Å; L31-Y33 PolarHBondContact O-N 3.04Å; L31-K34 PolarHBondContact O-N 3.09Å
32K98.3Very high98.2Very high150 Ų15073.7 Ų73.765%0.65242%0.419SS*.Hα-helixtrans-61.2-43.5-177.6-177178.3178.1-173.40112.9K28 A29K28-K32 WeakPolarHBondContact O-CB 3.16Å; K28-K32 PolarHBondContact O-N 3.49Å; A29-K32 PolarHBondContact O-N 3.24Å
33Y98.2Very high98.1Very high62 Ų6275 Ų7524%0.24343%0.428CS..THydrogen-bonded Turntrans-99.47.9-175.5-58.9-69.1000113.2A29 L31 V35 S43 E45 F46 I49A29-Y33 HydrophobicContact CB-CD2 4.07Å; A29-Y33 HydrophobicContact CB-CE2 4.22Å; A29-Y33 WeakPolarHBondContact O-CB 3.27Å; A29-Y33 WeakPolarHBondContact O-CD2 3.3Å; A29-Y33 PolarHBondContact O-N 2.86Å; L31-Y33 PolarHBondContact O-N 3.04Å; Y33-V35 VanDerWaalsContact C-N 3.3Å; Y33-V35 PolarHBondContact O-N 3.32Å; Y33-S43 WeakPolarHBondContact CD1-OG 3.48Å; Y33-E45 HydrophobicContact CE1-CB 3.74Å; Y33-E45 HydrophobicContact CE1-CG 4.13Å; Y33-E45 HydrophobicContact CE2-CB 3.95Å; Y33-E45 VanDerWaalsContact OH-CB 3.31Å; Y33-E45 WeakPolarHBondContact OH-CB 3.34Å; Y33-F46 HydrophobicContact CD2-CB 3.71Å; Y33-F46 HydrophobicContact CG-CB 4Å; Y33-I49 HydrophobicContact CE2-CD1 4.32Å
34K98.3Very high98.1Very high186 Ų18676.5 Ų76.581%0.80943%0.434SS*.THydrogen-bonded Turntrans53.740.9178.3-55.1-178.6-179179.60113.7R30 L31 T36R30-K34 CarbonylContact O-C 3.58Å; R30-K34 VanDerWaalsContact O-CA 3.32Å; R30-K34 WeakPolarHBondContact O-CA 3.37Å; R30-K34 PolarHBondContact O-N 3.19Å; L31-K34 PolarHBondContact O-N 3.09Å; K34-T36 PolarHBondContact O-N 3.14Å
35V98.4Very high98Very high10 Ų1074.3 Ų74.36%0.06142%0.42CS..  trans-96.989.2178.1-172.70000110.2R30 Y33 A39 F46R30-V35 PolarHBondContact NH1-O 3.27Å; R30-V35 PolarHBondContact O-N 3.02Å; Y33-V35 VanDerWaalsContact C-N 3.3Å; Y33-V35 PolarHBondContact O-N 3.32Å; V35-A39 HydrophobicContact CG1-CB 3.81Å; V35-F46 HydrophobicContact CB-CD1 4.18Å; V35-F46 HydrophobicContact CB-CD2 4.4Å; V35-F46 HydrophobicContact CB-CE1 4.09Å; V35-F46 HydrophobicContact CB-CE2 4.34Å; V35-F46 HydrophobicContact CB-CG 4.34Å; V35-F46 HydrophobicContact CB-CZ 4.17Å; V35-F46 HydrophobicContact CG1-CD1 4.08Å; V35-F46 HydrophobicContact CG1-CE1 3.65Å; V35-F46 HydrophobicContact CG1-CZ 3.93Å; V35-F46 HydrophobicContact CG2-CB 4.3Å; V35-F46 HydrophobicContact CG2-CD1 3.77Å; V35-F46 HydrophobicContact CG2-CD2 4.27Å; V35-F46 HydrophobicContact CG2-CE1 4.18Å; V35-F46 HydrophobicContact CG2-CG 3.81Å
36T97.6Very high98Very high108 Ų10872.5 Ų72.566%0.66341%0.412SS*.  trans-72.9133.6-180-48.50000111K34 A39K34-T36 PolarHBondContact O-N 3.14Å; T36-A39 VanDerWaalsContact O-CB 3.25Å; T36-A39 WeakPolarHBondContact O-CB 3.49Å; T36-A39 PolarHBondContact O-N 2.92Å; T36-A39 VanDerWaalsContact O-N 3.1Å
37P97.3Very high98Very high89 Ų8975.5 Ų75.558%0.57843%0.426SS*.THydrogen-bonded Turntrans-52.9145.7170.4-25.735.3000112.1A39P37-A39 VanDerWaalsContact C-N 3.35Å
38P97.9Very high98Very high130 Ų13076.3 Ų76.384%0.84442%0.418SS*.THydrogen-bonded Turncis-85.57.28.335.4-37.1000114.5V40P38-V40 PolarHBondContact O-N 3.42Å
39A98.3Very high98Very high41 Ų4171.2 Ų71.234%0.33940%0.396SS..  trans-60.6137.5-176.600000112.1R30 V35 T36 P37R30-A39 PolarHBondContact NH1-O 3.14Å; R30-A39 PolarHBondContact NH2-O 3.44Å; V35-A39 HydrophobicContact CG1-CB 3.81Å; T36-A39 VanDerWaalsContact O-CB 3.25Å; T36-A39 WeakPolarHBondContact O-CB 3.49Å; T36-A39 PolarHBondContact O-N 2.92Å; T36-A39 VanDerWaalsContact O-N 3.1Å; P37-A39 VanDerWaalsContact C-N 3.35Å
40V98.3Very high98.1Very high76 Ų7672.2 Ų72.246%0.46140%0.4SS..  trans-122.73.8175.8-64.40000112.5P38 F50P38-V40 PolarHBondContact O-N 3.42Å; V40-F50 HydrophobicContact CB-CD1 4.4Å; V40-F50 HydrophobicContact CB-CE1 3.8Å; V40-F50 HydrophobicContact CB-CZ 3.92Å; V40-F50 HydrophobicContact CG1-CE1 4.02Å; V40-F50 HydrophobicContact CG1-CE2 4.15Å; V40-F50 HydrophobicContact CG1-CZ 3.59Å
41S97.6Very high98.1Very high77 Ų7776.1 Ų76.154%0.53841%0.414SS..  trans-123.5157.4174.549.60000110.1E47S41-E47 VanDerWaalsContact CA-OE1 3.3Å; S41-E47 WeakPolarHBondContact CA-OE1 3.38Å; S41-E47 VanDerWaalsContact CB-OE1 3.31Å; S41-E47 WeakPolarHBondContact CB-OE1 3.5Å
42G95.9Very high98.1Very high47 Ų4769.1 Ų69.149%0.48538%0.378SS..SBendtrans167.4-118.7-175.800000111.6E47G42-E47 PolarHBondContact N-OE1 3.03Å
43S97.1Very high98.1Very high26 Ų2663.1 Ų63.118%0.18235%0.352CS..SBendtrans-71.7142.6174.3135.50000110.9Y33 E45 F46 E47Y33-S43 WeakPolarHBondContact CD1-OG 3.48Å; S43-E45 PolarHBondContact O-N 3.33Å; S43-E45 VanDerWaalsContact O-N 3.15Å; S43-E45 WeakPolarHBondContact OG-CB 3.39Å; S43-E45 PolarHBondContact OG-N 3.27Å; S43-E45 VanDerWaalsContact OG-N 3.15Å; S43-E45 PolarHBondContact OG-OE2 3.41Å; S43-F46 WeakPolarHBondContact O-CB 3.29Å; S43-F46 PolarHBondContact O-N 3.26Å; S43-F46 PolarHBondContact OG-N 3.34Å; S43-E47 PolarHBondContact O-N 2.99Å
44P97.8Very high98.1Very high78 Ų7863 Ų6351%0.50635%0.354SS..Hα-helixtrans-53.8-33.4174.2-28.336.2000113.8R48P44-R48 VanDerWaalsContact O-CG 3.31Å; P44-R48 WeakPolarHBondContact O-CG 3.34Å; P44-R48 PolarHBondContact O-N 3.38Å; P44-R48 PolarHBondContact O-NH1 2.87Å
45E98Very high98.1Very high67 Ų6755.3 Ų55.331%0.31332%0.322SS..Hα-helixtrans-66.4-45.8176.5-6453.6-12100111Y33 S43 R48 I49Y33-E45 HydrophobicContact CE1-CB 3.74Å; Y33-E45 HydrophobicContact CE1-CG 4.13Å; Y33-E45 HydrophobicContact CE2-CB 3.95Å; Y33-E45 VanDerWaalsContact OH-CB 3.31Å; Y33-E45 WeakPolarHBondContact OH-CB 3.34Å; S43-E45 PolarHBondContact O-N 3.33Å; S43-E45 VanDerWaalsContact O-N 3.15Å; S43-E45 WeakPolarHBondContact OG-CB 3.39Å; S43-E45 PolarHBondContact OG-N 3.27Å; S43-E45 VanDerWaalsContact OG-N 3.15Å; S43-E45 PolarHBondContact OG-OE2 3.41Å; E45-R48 PolarHBondContact O-N 3.45Å; E45-R48 IonicContact OE1-CZ 2.61Å; E45-R48 IonicContact OE1-NH1 3.64Å; E45-R48 PolarHBondContact OE1-NH1 3.26Å; E45-R48 IonicContact OE1-NH2 2.82Å; E45-R48 PolarHBondContact OE1-NH2 2.9Å; E45-I49 WeakPolarHBondContact O-CG1 3.36Å; E45-I49 PolarHBondContact O-N 2.96Å
46F98.5Very high98.2Very high0 Ų054.9 Ų54.90%032%0.319CS..Hα-helixtrans-60.2-48.2175.1169.1-100.7000110.9V26 A29 R30 Y33 V35 S43 R48 I49 F50V26-F46 HydrophobicContact CG1-CE2 4.47Å; A29-F46 HydrophobicContact CB-CD2 3.91Å; R30-F46 HydrophobicContact CB-CE2 4.46Å; R30-F46 HydrophobicContact CG-CD2 4.43Å; R30-F46 HydrophobicContact CG-CE2 3.5Å; R30-F46 VanDerWaalsContact CG-CE2 3.5Å; R30-F46 HydrophobicContact CG-CZ 4.03Å; Y33-F46 HydrophobicContact CD2-CB 3.71Å; Y33-F46 HydrophobicContact CG-CB 4Å; V35-F46 HydrophobicContact CB-CD1 4.18Å; V35-F46 HydrophobicContact CB-CD2 4.4Å; V35-F46 HydrophobicContact CB-CE1 4.09Å; V35-F46 HydrophobicContact CB-CE2 4.34Å; V35-F46 HydrophobicContact CB-CG 4.34Å; V35-F46 HydrophobicContact CB-CZ 4.17Å; V35-F46 HydrophobicContact CG1-CD1 4.08Å; V35-F46 HydrophobicContact CG1-CE1 3.65Å; V35-F46 HydrophobicContact CG1-CZ 3.93Å; V35-F46 HydrophobicContact CG2-CB 4.3Å; V35-F46 HydrophobicContact CG2-CD1 3.77Å; V35-F46 HydrophobicContact CG2-CD2 4.27Å; V35-F46 HydrophobicContact CG2-CE1 4.18Å; V35-F46 HydrophobicContact CG2-CG 3.81Å; S43-F46 WeakPolarHBondContact O-CB 3.29Å; S43-F46 PolarHBondContact O-N 3.26Å; S43-F46 PolarHBondContact OG-N 3.34Å; F46-R48 VanDerWaalsContact C-N 3.3Å; F46-R48 PolarHBondContact O-N 2.97Å; F46-I49 PolarHBondContact O-N 3.31Å; F46-F50 HydrophobicContact CE1-CB 4.23Å; F46-F50 HydrophobicContact CE1-CG 4.49Å; F46-F50 HydrophobicContact CE2-CB 4.41Å; F46-F50 HydrophobicContact CZ-CB 4.07Å; F46-F50 HydrophobicContact CZ-CD2 4.19Å; F46-F50 HydrophobicContact CZ-CG 4.26Å; F46-F50 WeakPolarHBondContact O-CB 3.24Å; F46-F50 PolarHBondContact O-N 3Å
47E98.6Very high98.2Very high74 Ų7452.7 Ų52.735%0.34631%0.305SS..Hα-helixtrans-60.8-39.5-178.6-70.8-176.5-16800111.8S41 G42 S43 F50 R51S41-E47 VanDerWaalsContact CA-OE1 3.3Å; S41-E47 WeakPolarHBondContact CA-OE1 3.38Å; S41-E47 VanDerWaalsContact CB-OE1 3.31Å; S41-E47 WeakPolarHBondContact CB-OE1 3.5Å; G42-E47 PolarHBondContact N-OE1 3.03Å; S43-E47 PolarHBondContact O-N 2.99Å; E47-F50 PolarHBondContact O-N 3.3Å; E47-R51 VanDerWaalsContact O-CB 3.27Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 WeakPolarHBondContact O-CG 3.32Å; E47-R51 PolarHBondContact O-N 3.45Å
48R98.6Very high98.3Very high52 Ų5253.2 Ų53.220%0.19630%0.3CS..Hα-helixtrans-60.7-48.2174.4-74.9-172.1-56.2-86.913.1112.2P44 E45 F46 R51 A52 Y97 S98P44-R48 VanDerWaalsContact O-CG 3.31Å; P44-R48 WeakPolarHBondContact O-CG 3.34Å; P44-R48 PolarHBondContact O-N 3.38Å; P44-R48 PolarHBondContact O-NH1 2.87Å; E45-R48 PolarHBondContact O-N 3.45Å; E45-R48 IonicContact OE1-CZ 2.61Å; E45-R48 IonicContact OE1-NH1 3.64Å; E45-R48 PolarHBondContact OE1-NH1 3.26Å; E45-R48 IonicContact OE1-NH2 2.82Å; E45-R48 PolarHBondContact OE1-NH2 2.9Å; F46-R48 VanDerWaalsContact C-N 3.3Å; F46-R48 PolarHBondContact O-N 2.97Å; R48-R51 PolarHBondContact O-N 3.24Å; R48-A52 VanDerWaalsContact O-CB 3.24Å; R48-A52 WeakPolarHBondContact O-CB 3.22Å; R48-A52 PolarHBondContact O-N 2.9Å; R48-Y97 HydrophobicContact CB-CD2 4.3Å; R48-Y97 HydrophobicContact CB-CE2 4.49Å; R48-Y97 WeakPolarHBondContact CD-O 3.4Å; R48-Y97 HydrophobicContact CG-CD2 4.28Å; R48-Y97 HydrophobicContact CG-CE2 4.17Å; R48-S98 PolarHBondContact NE-O 3.27Å
49I98.8Very high98.3Very high24 Ų2449 Ų4912%0.12327%0.268CS..Hα-helixtrans-63.2-45.2179-64.9164.7000110.5V26 A29 Y33 E45 F46 A52 Q53 F94V26-I49 HydrophobicContact CG2-CG2 4.12Å; A29-I49 HydrophobicContact CB-CB 4.46Å; A29-I49 HydrophobicContact CB-CD1 3.88Å; A29-I49 HydrophobicContact CB-CG2 4.16Å; Y33-I49 HydrophobicContact CE2-CD1 4.32Å; E45-I49 WeakPolarHBondContact O-CG1 3.36Å; E45-I49 PolarHBondContact O-N 2.96Å; F46-I49 PolarHBondContact O-N 3.31Å; I49-A52 PolarHBondContact O-N 3.43Å; I49-Q53 PolarHBondContact O-N 3.37Å; I49-Q53 VanDerWaalsContact O-N 3.09Å; I49-F94 HydrophobicContact CG2-CE2 4.45Å; I49-F94 HydrophobicContact CG2-CZ 3.95Å
50F98.8Very high98.4Very high27 Ų2749.1 Ų49.112%0.11826%0.261CS..Hα-helixtrans-61.3-49.7178.2-179.5-100.5000111.6V26 V40 F46 E47 A52 Q53 Q54V26-F50 HydrophobicContact CG1-CD2 3.85Å; V40-F50 HydrophobicContact CB-CD1 4.4Å; V40-F50 HydrophobicContact CB-CE1 3.8Å; V40-F50 HydrophobicContact CB-CZ 3.92Å; V40-F50 HydrophobicContact CG1-CE1 4.02Å; V40-F50 HydrophobicContact CG1-CE2 4.15Å; V40-F50 HydrophobicContact CG1-CZ 3.59Å; F46-F50 HydrophobicContact CE1-CB 4.23Å; F46-F50 HydrophobicContact CE1-CG 4.49Å; F46-F50 HydrophobicContact CE2-CB 4.41Å; F46-F50 HydrophobicContact CZ-CB 4.07Å; F46-F50 HydrophobicContact CZ-CD2 4.19Å; F46-F50 HydrophobicContact CZ-CG 4.26Å; F46-F50 WeakPolarHBondContact O-CB 3.24Å; F46-F50 PolarHBondContact O-N 3Å; E47-F50 PolarHBondContact O-N 3.3Å; F50-A52 VanDerWaalsContact C-N 3.32Å; F50-A52 PolarHBondContact O-N 3.04Å; F50-Q53 PolarHBondContact O-N 3.49Å; F50-Q54 HydrophobicContact CD1-CG 4.16Å; F50-Q54 HydrophobicContact CE1-CG 3.74Å; F50-Q54 HydrophobicContact CE2-CG 4.25Å; F50-Q54 HydrophobicContact CZ-CG 3.78Å; F50-Q54 WeakPolarHBondContact O-CG 3.42Å; F50-Q54 PolarHBondContact O-N 3.07Å
51R98.6Very high98.4Very high128 Ų12849 Ų4948%0.48326%0.261SS..Hα-helixtrans-66.3-32.7178.5-66.7-63.4-66.6158.51.5112.6E47 R48 N55 Y97E47-R51 VanDerWaalsContact O-CB 3.27Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 WeakPolarHBondContact O-CG 3.32Å; E47-R51 PolarHBondContact O-N 3.45Å; R48-R51 PolarHBondContact O-N 3.24Å; R51-N55 WeakPolarHBondContact O-CB 3.34Å; R51-N55 PolarHBondContact O-N 2.88Å; R51-Y97 HydrophobicContact CB-CE1 4.33Å
52A98.8Very high98.4Very high0 Ų049.1 Ų49.10%026%0.255CS..Hα-helixtrans-62.2-48.3173.600000111.3R48 I49 F50 C56 F94 Y97R48-A52 VanDerWaalsContact O-CB 3.24Å; R48-A52 WeakPolarHBondContact O-CB 3.22Å; R48-A52 PolarHBondContact O-N 2.9Å; I49-A52 PolarHBondContact O-N 3.43Å; F50-A52 VanDerWaalsContact C-N 3.32Å; F50-A52 PolarHBondContact O-N 3.04Å; A52-C56 PolarHBondContact O-N 3.2Å; A52-C56 PolarHBondContact O-SG 3.29Å; A52-C56 VanDerWaalsContact O-SG 3.33Å; A52-F94 HydrophobicContact CB-CD2 3.62Å; A52-F94 HydrophobicContact CB-CE2 3.96Å; A52-F94 HydrophobicContact CB-CG 4.42Å; A52-Y97 HydrophobicContact CB-CD1 3.78Å; A52-Y97 HydrophobicContact CB-CG 4.05Å
53Q98.8Very high98.6Very high23 Ų2346.9 Ų46.911%0.10723%0.232CC..Hα-helixtrans-63.8-44.8176.5-178.3-89.6-26.500112.1F22 V26 I49 F50 N55 C56 V57 F94F22-Q53 HydrophobicContact CB-CB 4.34Å; F22-Q53 HydrophobicContact CB-CG 3.96Å; V26-Q53 HydrophobicContact CG2-CB 3.48Å; V26-Q53 VanDerWaalsContact CG2-CB 3.48Å; V26-Q53 HydrophobicContact CG2-CG 3.79Å; I49-Q53 PolarHBondContact O-N 3.37Å; I49-Q53 VanDerWaalsContact O-N 3.09Å; F50-Q53 PolarHBondContact O-N 3.49Å; Q53-N55 VanDerWaalsContact C-N 3.35Å; Q53-N55 PolarHBondContact O-N 3.33Å; Q53-C56 WeakPolarHBondContact O-CB 3.48Å; Q53-C56 PolarHBondContact O-N 2.99Å; Q53-C56 VanDerWaalsContact O-N 3.12Å; Q53-V57 PolarHBondContact O-N 3.44Å; Q53-F94 HydrophobicContact CB-CE2 3.94Å
54Q98.8Very high98.7Very high61 Ų6147.8 Ų47.829%0.28523%0.234SC..Hα-helixtrans-59-44.6178.8-73.7-65.8-69.400112F50 C56 V57 E58F50-Q54 HydrophobicContact CD1-CG 4.16Å; F50-Q54 HydrophobicContact CE1-CG 3.74Å; F50-Q54 HydrophobicContact CE2-CG 4.25Å; F50-Q54 HydrophobicContact CZ-CG 3.78Å; F50-Q54 WeakPolarHBondContact O-CG 3.42Å; F50-Q54 PolarHBondContact O-N 3.07Å; Q54-C56 VanDerWaalsContact C-N 3.31Å; Q54-C56 PolarHBondContact O-N 2.76Å; Q54-V57 WeakPolarHBondContact O-CA 3.19Å; Q54-V57 WeakPolarHBondContact O-CB 3.42Å; Q54-V57 PolarHBondContact O-N 3.1Å; Q54-E58 WeakPolarHBondContact O-CG 3.35Å; Q54-E58 PolarHBondContact O-N 2.98Å
55N98.8Very high98.7Very high24 Ų2449.3 Ų49.313%0.12824%0.237CC..Hα-helixtrans-63.1-37.5176-174-97000112.5R51 Q53 V57 E58 F59 R90 Y93R51-N55 WeakPolarHBondContact O-CB 3.34Å; R51-N55 PolarHBondContact O-N 2.88Å; Q53-N55 VanDerWaalsContact C-N 3.35Å; Q53-N55 PolarHBondContact O-N 3.33Å; N55-V57 VanDerWaalsContact C-N 3.28Å; N55-V57 PolarHBondContact O-N 3.12Å; N55-E58 PolarHBondContact O-N 2.84Å; N55-F59 VanDerWaalsContact O-CD2 3.32Å; N55-F59 WeakPolarHBondContact O-CD2 3.25Å; N55-F59 PolarHBondContact O-N 3.32Å; N55-R90 PolarHBondContact OD1-NH1 2.98Å; N55-Y93 HydrophobicContact CB-CE1 4.02Å; N55-Y93 WeakPolarHBondContact CB-OH 3.49Å; N55-Y93 PolarHBondContact OD1-OH 2.93Å
56C98.7Very high98.7Very high1 Ų146.8 Ų46.81%0.00723%0.227CC..Hα-helixtrans-62.4-37.3173.2-65.80000111.5Q19 F22 A52 Q53 Q54 Y60Q19-C56 PolarHBondContact NE2-O 2.95Å; F22-C56 HydrophobicContact CD2-CB 4.1Å; F22-C56 HydrophobicContact CE2-CB 4.29Å; A52-C56 PolarHBondContact O-N 3.2Å; A52-C56 PolarHBondContact O-SG 3.29Å; A52-C56 VanDerWaalsContact O-SG 3.33Å; Q53-C56 WeakPolarHBondContact O-CB 3.48Å; Q53-C56 PolarHBondContact O-N 2.99Å; Q53-C56 VanDerWaalsContact O-N 3.12Å; Q54-C56 VanDerWaalsContact C-N 3.31Å; Q54-C56 PolarHBondContact O-N 2.76Å; C56-Y60 WeakPolarHBondContact O-CB 3.28Å; C56-Y60 PolarHBondContact O-N 3.08Å; C56-Y60 VanDerWaalsContact O-N 3.09Å
57V98.8Very high98.7Very high61 Ų6146.8 Ų46.837%0.3723%0.227SC..Hα-helixtrans-65.5-47.7174.9171.50000112.1Q53 Q54 N55 F59 Y60 P61Q53-V57 PolarHBondContact O-N 3.44Å; Q54-V57 WeakPolarHBondContact O-CA 3.19Å; Q54-V57 WeakPolarHBondContact O-CB 3.42Å; Q54-V57 PolarHBondContact O-N 3.1Å; N55-V57 VanDerWaalsContact C-N 3.28Å; N55-V57 PolarHBondContact O-N 3.12Å; V57-F59 PolarHBondContact O-N 3.47Å; V57-Y60 PolarHBondContact O-N 3.39Å; V57-Y60 VanDerWaalsContact O-N 3.11Å; V57-P61 WeakPolarHBondContact O-CD 3.49Å
58E98.8Very high98.7Very high101 Ų10146.4 Ų46.447%0.47222%0.222SC..Hα-helixtrans-56.1-37.2-179.9-70.7164.6-176.800112.2Q54 N55Q54-E58 WeakPolarHBondContact O-CG 3.35Å; Q54-E58 PolarHBondContact O-N 2.98Å; N55-E58 PolarHBondContact O-N 2.84Å
59F98.8Very high98.7Very high40 Ų4046.4 Ų46.418%0.17523%0.225CC..Hα-helixtrans-91.7-10.8-179.1-80.5-99000114.5N55 V57 I62 F63 F108 L112 L115N55-F59 VanDerWaalsContact O-CD2 3.32Å; N55-F59 WeakPolarHBondContact O-CD2 3.25Å; N55-F59 PolarHBondContact O-N 3.32Å; V57-F59 PolarHBondContact O-N 3.47Å; F59-I62 HydrophobicContact CD1-CD1 4.27Å; F59-I62 PolarHBondContact O-N 3.47Å; F59-F63 PolarHBondContact O-N 3.15Å; F59-F108 HydrophobicContact CE2-CE2 4.42Å; F59-F108 HydrophobicContact CZ-CE2 4.35Å; F59-F108 HydrophobicContact CZ-CZ 4.4Å; F59-L112 HydrophobicContact CE1-CD2 3.68Å; F59-L112 HydrophobicContact CZ-CD2 4.2Å; F59-L115 HydrophobicContact CD1-CD1 3.6Å; F59-L115 HydrophobicContact CE1-CD1 4.23Å
60Y98.8Very high98.7Very high45 Ų4545.3 Ų45.318%0.17622%0.219CC..Hα-helixtrans-63.3-43.2-175.7-172.9-115.6000113.2S12 S15 A16 Q19 C56 V57 I62 F63 L64S12-Y60 PolarHBondContact O-OH 3.27Å; S15-Y60 WeakPolarHBondContact OG-CE2 3.3Å; S15-Y60 PolarHBondContact OG-OH 3.42Å; A16-Y60 WeakPolarHBondContact CA-OH 3.46Å; A16-Y60 PolarHBondContact N-OH 2.97Å; Q19-Y60 HydrophobicContact CG-CD1 4.33Å; Q19-Y60 HydrophobicContact CG-CD2 3.74Å; Q19-Y60 HydrophobicContact CG-CE1 4.41Å; Q19-Y60 HydrophobicContact CG-CE2 3.85Å; Q19-Y60 HydrophobicContact CG-CG 4Å; C56-Y60 WeakPolarHBondContact O-CB 3.28Å; C56-Y60 PolarHBondContact O-N 3.08Å; C56-Y60 VanDerWaalsContact O-N 3.09Å; V57-Y60 PolarHBondContact O-N 3.39Å; V57-Y60 VanDerWaalsContact O-N 3.11Å; Y60-I62 VanDerWaalsContact C-N 3.33Å; Y60-I62 PolarHBondContact O-N 3.46Å; Y60-F63 HydrophobicContact CD2-CD1 4.24Å; Y60-F63 HydrophobicContact CE2-CD1 4.2Å; Y60-F63 WeakPolarHBondContact O-CB 3.43Å; Y60-F63 PolarHBondContact O-N 2.79Å; Y60-L64 HydrophobicContact CD1-CD1 4.07Å; Y60-L64 HydrophobicContact CE1-CD1 3.52Å; Y60-L64 HydrophobicContact CE1-CG 4.19Å; Y60-L64 HydrophobicContact CE2-CD1 4.46Å; Y60-L64 HydrophobicContact CE2-CD2 4.46Å; Y60-L64 HydrophobicContact CE2-CG 4.27Å; Y60-L64 PolarHBondContact O-N 3.02Å
61P98.8Very high98.7Very high72 Ų7244.3 Ų44.347%0.46822%0.216SC..Hα-helixtrans-61.7-39.9174.1-23.934.8000112.8V57 F63 L64 I65V57-P61 WeakPolarHBondContact O-CD 3.49Å; P61-F63 VanDerWaalsContact C-N 3.34Å; P61-F63 PolarHBondContact O-N 3.3Å; P61-L64 PolarHBondContact O-N 2.95Å; P61-I65 WeakPolarHBondContact O-CG1 3.45Å; P61-I65 PolarHBondContact O-N 3.29Å
62I98.8Very high98.6Very high81 Ų8144.8 Ų44.842%0.41522%0.219SC..Hα-helixtrans-62.2-45.4178-54.3174.7000109.9F59 Y60 T66 L115F59-I62 HydrophobicContact CD1-CD1 4.27Å; F59-I62 PolarHBondContact O-N 3.47Å; Y60-I62 VanDerWaalsContact C-N 3.33Å; Y60-I62 PolarHBondContact O-N 3.46Å; I62-T66 HydrophobicContact CG2-CG2 4.43Å; I62-T66 WeakPolarHBondContact O-CB 3.32Å; I62-T66 VanDerWaalsContact O-CG2 3.3Å; I62-T66 WeakPolarHBondContact O-CG2 3.48Å; I62-T66 PolarHBondContact O-N 3.34Å; I62-T66 PolarHBondContact O-OG1 2.99Å; I62-L115 HydrophobicContact CG2-CD2 4.47Å
63F98.9Very high98.5Very high0 Ų049.9 Ų49.90%024%0.238CC..Hα-helixtrans-58.6-50.1175.2167.9-113.6000112.2V11 F59 Y60 P61 T66 L67 Y86 L115 L118V11-F63 HydrophobicContact CG1-CZ 4.09Å; F59-F63 PolarHBondContact O-N 3.15Å; Y60-F63 HydrophobicContact CD2-CD1 4.24Å; Y60-F63 HydrophobicContact CE2-CD1 4.2Å; Y60-F63 WeakPolarHBondContact O-CB 3.43Å; Y60-F63 PolarHBondContact O-N 2.79Å; P61-F63 VanDerWaalsContact C-N 3.34Å; P61-F63 PolarHBondContact O-N 3.3Å; F63-T66 PolarHBondContact O-N 3.5Å; F63-T66 PolarHBondContact O-OG1 3.26Å; F63-T66 VanDerWaalsContact O-OG1 3.1Å; F63-L67 HydrophobicContact CE1-CD2 4.2Å; F63-L67 HydrophobicContact CE2-CB 4.2Å; F63-L67 HydrophobicContact CE2-CD2 4.39Å; F63-L67 HydrophobicContact CZ-CB 4.42Å; F63-L67 HydrophobicContact CZ-CD2 3.81Å; F63-L67 HydrophobicContact CZ-CG 4.5Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 3.46Å; F63-Y86 HydrophobicContact CB-CD1 4.29Å; F63-Y86 HydrophobicContact CB-CE1 3.61Å; F63-Y86 HydrophobicContact CB-CE2 4.47Å; F63-Y86 AromaticContact CD1-CD1 3.93Å; F63-Y86 HydrophobicContact CD1-CD1 3.93Å; F63-Y86 AromaticContact CD1-CE1 3.7Å; F63-Y86 HydrophobicContact CD1-CE1 3.7Å; F63-Y86 AromaticContact CD2-CD1 3.24Å; F63-Y86 HydrophobicContact CD2-CD1 3.24Å; F63-Y86 HydrophobicContact CD2-CD2 4.18Å; F63-Y86 AromaticContact CD2-CE1 3.49Å; F63-Y86 HydrophobicContact CD2-CE1 3.49Å; F63-Y86 VanDerWaalsContact CD2-CE1 3.49Å; F63-Y86 HydrophobicContact CD2-CE2 4.39Å; F63-Y86 AromaticContact CD2-CG 3.6Å; F63-Y86 HydrophobicContact CD2-CG 3.6Å; F63-Y86 HydrophobicContact CE1-CD1 4.04Å; F63-Y86 HydrophobicContact CE1-CE1 4.24Å; F63-Y86 AromaticContact CE2-CD1 3.38Å; F63-Y86 HydrophobicContact CE2-CD1 3.38Å; F63-Y86 HydrophobicContact CE2-CE1 4.07Å; F63-Y86 AromaticContact CE2-CG 3.72Å; F63-Y86 HydrophobicContact CE2-CG 3.72Å; F63-Y86 AromaticContact CG-CD1 3.52Å; F63-Y86 HydrophobicContact CG-CD1 3.52Å; F63-Y86 AromaticContact CG-CE1 3.27Å; F63-Y86 HydrophobicContact CG-CE1 3.27Å; F63-Y86 HydrophobicContact CG-CG 4.28Å; F63-Y86 AromaticContact CG-CZ 3.87Å; F63-Y86 AromaticContact CZ-CD1 3.77Å; F63-Y86 HydrophobicContact CZ-CD1 3.77Å; F63-Y86 HydrophobicContact CZ-CE1 4.4Å; F63-Y86 HydrophobicContact CZ-CG 4.47Å; F63-L115 HydrophobicContact CB-CD2 3.88Å; F63-L115 HydrophobicContact CD2-CD2 4.24Å; F63-L118 HydrophobicContact CD2-CD1 4.25Å; F63-L118 HydrophobicContact CE2-CD1 4.18Å
64L98.7Very high98.3Very high44 Ų4453.3 Ų53.323%0.2325%0.253CS..Hα-helixtrans-61.2-49.2-179.5-74.7179000111.3Y60 P61 T66 L67 W68Y60-L64 HydrophobicContact CD1-CD1 4.07Å; Y60-L64 HydrophobicContact CE1-CD1 3.52Å; Y60-L64 HydrophobicContact CE1-CG 4.19Å; Y60-L64 HydrophobicContact CE2-CD1 4.46Å; Y60-L64 HydrophobicContact CE2-CD2 4.46Å; Y60-L64 HydrophobicContact CE2-CG 4.27Å; Y60-L64 PolarHBondContact O-N 3.02Å; P61-L64 PolarHBondContact O-N 2.95Å; L64-T66 VanDerWaalsContact C-N 3.35Å; L64-T66 PolarHBondContact O-N 3.25Å; L64-L67 PolarHBondContact O-N 2.98Å; L64-W68 PolarHBondContact O-N 3.49Å
65I98.8Very high98.2Very high110 Ų11053.2 Ų53.256%0.56426%0.255SS*.Hα-helixtrans-58.6-49.2-179.8-67.3168.8000110.5P61 L67 W68 M69P61-I65 WeakPolarHBondContact O-CG1 3.45Å; P61-I65 PolarHBondContact O-N 3.29Å; I65-L67 PolarHBondContact O-N 3.18Å; I65-W68 PolarHBondContact O-N 3.01Å; I65-M69 HydrophobicContact CG2-CG 4.21Å; I65-M69 WeakPolarHBondContact O-CB 3.39Å; I65-M69 VanDerWaalsContact O-CG 3.23Å; I65-M69 WeakPolarHBondContact O-CG 3.38Å; I65-M69 PolarHBondContact O-N 2.98Å
66T98.8Very high98.1Very high15 Ų1554 Ų549%0.09226%0.257CS..Hα-helixtrans-67.3-38.1-17854.30000113I62 F63 L64 A70 T119I62-T66 HydrophobicContact CG2-CG2 4.43Å; I62-T66 WeakPolarHBondContact O-CB 3.32Å; I62-T66 VanDerWaalsContact O-CG2 3.3Å; I62-T66 WeakPolarHBondContact O-CG2 3.48Å; I62-T66 PolarHBondContact O-N 3.34Å; I62-T66 PolarHBondContact O-OG1 2.99Å; F63-T66 PolarHBondContact O-N 3.5Å; F63-T66 PolarHBondContact O-OG1 3.26Å; F63-T66 VanDerWaalsContact O-OG1 3.1Å; L64-T66 VanDerWaalsContact C-N 3.35Å; L64-T66 PolarHBondContact O-N 3.25Å; T66-A70 VanDerWaalsContact O-CB 3.24Å; T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.45Å; T66-T119 VanDerWaalsContact CG2-OG1 3.26Å; T66-T119 WeakPolarHBondContact CG2-OG1 3.26Å
67L98.8Very high98.1Very high0 Ų057.9 Ų57.90%028%0.281CS..Hα-helixtrans-58.5-50.2173.8175.468.9000111.4L8 V11 F63 L64 I65 G71 A79L8-L67 HydrophobicContact CD2-CD1 4.11Å; L8-L67 HydrophobicContact CD2-CG 4.28Å; V11-L67 HydrophobicContact CB-CD2 4.27Å; V11-L67 HydrophobicContact CG1-CD1 4.43Å; V11-L67 HydrophobicContact CG1-CD2 3.75Å; F63-L67 HydrophobicContact CE1-CD2 4.2Å; F63-L67 HydrophobicContact CE2-CB 4.2Å; F63-L67 HydrophobicContact CE2-CD2 4.39Å; F63-L67 HydrophobicContact CZ-CB 4.42Å; F63-L67 HydrophobicContact CZ-CD2 3.81Å; F63-L67 HydrophobicContact CZ-CG 4.5Å; F63-L67 WeakPolarHBondContact O-CB 3.4Å; F63-L67 PolarHBondContact O-N 3.46Å; L64-L67 PolarHBondContact O-N 2.98Å; I65-L67 PolarHBondContact O-N 3.18Å; L67-G71 PolarHBondContact O-N 3.45Å; L67-A79 HydrophobicContact CD1-CB 4.3Å; L67-A79 VanDerWaalsContact CD1-O 3.23Å; L67-A79 WeakPolarHBondContact CD1-O 3.32Å
68W98.6Very high98Very high65 Ų6560.9 Ų60.925%0.24629%0.289CS..Hα-helixtrans-70.4-41.2-176.8-78.381.9000111.6L8 S12 L64 I65 G71 W72L8-W68 HydrophobicContact CD1-CE3 4.26Å; S12-W68 PolarHBondContact OG-NE1 3.15Å; L64-W68 PolarHBondContact O-N 3.49Å; I65-W68 PolarHBondContact O-N 3.01Å; W68-G71 PolarHBondContact O-N 2.88Å; W68-W72 HydrophobicContact CD2-CZ2 4.44Å; W68-W72 HydrophobicContact CE3-CD2 4.12Å; W68-W72 AromaticContact CE3-CE2 3.4Å; W68-W72 VanDerWaalsContact CE3-CE2 3.4Å; W68-W72 AromaticContact CE3-CH2 3.7Å; W68-W72 HydrophobicContact CE3-CH2 3.7Å; W68-W72 AromaticContact CE3-CZ2 3.2Å; W68-W72 HydrophobicContact CE3-CZ2 3.2Å; W68-W72 HydrophobicContact CE3-CZ3 4.34Å; W68-W72 AromaticContact CE3-NE1 3.78Å; W68-W72 AromaticContact CZ3-CE2 3.69Å; W68-W72 HydrophobicContact CZ3-CH2 4.08Å; W68-W72 AromaticContact CZ3-CZ2 3.29Å; W68-W72 HydrophobicContact CZ3-CZ2 3.29Å; W68-W72 AromaticContact CZ3-NE1 3.85Å; W68-W72 WeakPolarHBondContact O-CB 3.48Å; W68-W72 PolarHBondContact O-N 3.07Å
69M98.4Very high97.9Very high52 Ų5256.1 Ų56.126%0.25627%0.267SS..Hα-helixtrans-63.6-46.3175.9-67.1-55.196.200111.8I65 G71 W72 Y73 I126I65-M69 HydrophobicContact CG2-CG 4.21Å; I65-M69 WeakPolarHBondContact O-CB 3.39Å; I65-M69 VanDerWaalsContact O-CG 3.23Å; I65-M69 WeakPolarHBondContact O-CG 3.38Å; I65-M69 PolarHBondContact O-N 2.98Å; M69-G71 VanDerWaalsContact C-N 3.33Å; M69-G71 PolarHBondContact O-N 3.24Å; M69-W72 HydrophobicContact CE-CE3 3.7Å; M69-W72 HydrophobicContact CE-CZ3 3.85Å; M69-Y73 HydrophobicContact CE-CE2 4.28Å; M69-Y73 WeakPolarHBondContact O-CB 3.44Å; M69-Y73 WeakPolarHBondContact O-CD2 3.46Å; M69-Y73 PolarHBondContact O-N 2.92Å; M69-Y73 HydrophobicContact SD-CD2 4.13Å; M69-Y73 HydrophobicContact SD-CE2 3.75Å; M69-I126 HydrophobicContact CB-CD1 4.34Å; M69-I126 HydrophobicContact CG-CD1 4.38Å; M69-I126 HydrophobicContact SD-CD1 4.17Å
70A98.2Very high97.9Very high1 Ų155 Ų551%0.00826%0.264CS..Hα-helixtrans-63.5-39.7175.100000112.2T66 F74 N75 A79 L118 L121T66-A70 VanDerWaalsContact O-CB 3.24Å; T66-A70 WeakPolarHBondContact O-CB 3.45Å; T66-A70 PolarHBondContact O-N 3.45Å; A70-F74 WeakPolarHBondContact O-CA 3.34Å; A70-F74 VanDerWaalsContact O-CB 3.28Å; A70-F74 WeakPolarHBondContact O-CB 3.34Å; A70-F74 PolarHBondContact O-N 3.2Å; A70-N75 PolarHBondContact O-N 3.4Å; A70-A79 HydrophobicContact CB-CB 4.04Å; A70-L118 HydrophobicContact CB-CD2 3.83Å; A70-L121 HydrophobicContact CB-CB 4.12Å
71G97.6Very high97.9Very high6 Ų656.1 Ų56.16%0.06228%0.277CS..Hα-helixtrans-68.4-40.1-178.200000113.7L67 W68 M69 N75 Q76 A79L67-G71 PolarHBondContact O-N 3.45Å; W68-G71 PolarHBondContact O-N 2.88Å; M69-G71 VanDerWaalsContact C-N 3.33Å; M69-G71 PolarHBondContact O-N 3.24Å; G71-N75 CarbonylContact O-C 3.55Å; G71-Q76 WeakPolarHBondContact O-CA 3.4Å; G71-Q76 PolarHBondContact O-N 3.24Å; G71-A79 VanDerWaalsContact CA-CB 3.5Å
72W97.2Very high97.9Very high139 Ų13954 Ų5453%0.52726%0.262SS..Hα-helixtrans-80.7-44.2179.6-73.8-24000113.6S5 W68 M69S5-W72 PolarHBondContact OG-NE1 3.3Å; W68-W72 HydrophobicContact CD2-CZ2 4.44Å; W68-W72 HydrophobicContact CE3-CD2 4.12Å; W68-W72 AromaticContact CE3-CE2 3.4Å; W68-W72 VanDerWaalsContact CE3-CE2 3.4Å; W68-W72 AromaticContact CE3-CH2 3.7Å; W68-W72 HydrophobicContact CE3-CH2 3.7Å; W68-W72 AromaticContact CE3-CZ2 3.2Å; W68-W72 HydrophobicContact CE3-CZ2 3.2Å; W68-W72 HydrophobicContact CE3-CZ3 4.34Å; W68-W72 AromaticContact CE3-NE1 3.78Å; W68-W72 AromaticContact CZ3-CE2 3.69Å; W68-W72 HydrophobicContact CZ3-CH2 4.08Å; W68-W72 AromaticContact CZ3-CZ2 3.29Å; W68-W72 HydrophobicContact CZ3-CZ2 3.29Å; W68-W72 AromaticContact CZ3-NE1 3.85Å; W68-W72 WeakPolarHBondContact O-CB 3.48Å; W68-W72 PolarHBondContact O-N 3.07Å; M69-W72 HydrophobicContact CE-CE3 3.7Å; M69-W72 HydrophobicContact CE-CZ3 3.85Å
73Y96.1Very high97.9Very high106 Ų10650.1 Ų50.142%0.41624%0.242SC..Hα-helixtrans-95.2-18.5-170.7-67.9-85.8000114M69 G125 I126M69-Y73 HydrophobicContact CE-CE2 4.28Å; M69-Y73 WeakPolarHBondContact O-CB 3.44Å; M69-Y73 WeakPolarHBondContact O-CD2 3.46Å; M69-Y73 PolarHBondContact O-N 2.92Å; M69-Y73 HydrophobicContact SD-CD2 4.13Å; M69-Y73 HydrophobicContact SD-CE2 3.75Å; Y73-G125 WeakPolarHBondContact O-CA 3.41Å; Y73-I126 HydrophobicContact CD1-CG1 3.87Å; Y73-I126 HydrophobicContact CD2-CD1 4.27Å; Y73-I126 HydrophobicContact CD2-CG1 3.68Å; Y73-I126 HydrophobicContact CE1-CG1 4.26Å; Y73-I126 HydrophobicContact CE2-CG1 4.09Å; Y73-I126 HydrophobicContact CG-CG1 3.56Å
74F95.9Very high97.9Very high96 Ų9654 Ų5442%0.42126%0.262SS..THydrogen-bonded Turntrans-114.8-71.4-179.4-174.2-92.3000112.1A70 F78 L121A70-F74 WeakPolarHBondContact O-CA 3.34Å; A70-F74 VanDerWaalsContact O-CB 3.28Å; A70-F74 WeakPolarHBondContact O-CB 3.34Å; A70-F74 PolarHBondContact O-N 3.2Å; F74-F78 HydrophobicContact CE1-CD2 4.38Å; F74-L121 HydrophobicContact CB-CB 4.32Å; F74-L121 WeakPolarHBondContact CB-O 3.16Å; F74-L121 HydrophobicContact CD1-CB 4.13Å; F74-L121 HydrophobicContact CD1-CD1 4.2Å; F74-L121 HydrophobicContact CD1-CD2 3.97Å; F74-L121 HydrophobicContact CD1-CG 4.31Å; F74-L121 HydrophobicContact CD2-CD2 4.27Å; F74-L121 HydrophobicContact CE1-CD1 4.27Å; F74-L121 HydrophobicContact CE1-CD2 3.66Å; F74-L121 HydrophobicContact CE1-CG 4.4Å; F74-L121 HydrophobicContact CE2-CD2 3.97Å; F74-L121 HydrophobicContact CG-CB 4.07Å; F74-L121 HydrophobicContact CG-CD2 4.28Å; F74-L121 HydrophobicContact CZ-CD2 3.66Å
75N96.3Very high97.9Very high59 Ų5954.6 Ų54.632%0.31627%0.268SS..  trans-165.8124.3179.1-173.8-79.9000111.6A70 G71 V77 F78 A79A70-N75 PolarHBondContact O-N 3.4Å; G71-N75 CarbonylContact O-C 3.55Å; N75-V77 PolarHBondContact O-N 2.91Å; N75-V77 WeakPolarHBondContact OD1-CB 3.34Å; N75-V77 PolarHBondContact OD1-N 2.88Å; N75-F78 HydrophobicContact CB-CB 4.27Å; N75-F78 HydrophobicContact CB-CD2 3.7Å; N75-F78 HydrophobicContact CB-CG 4.46Å; N75-F78 VanDerWaalsContact CG-CD2 3.45Å; N75-F78 WeakPolarHBondContact OD1-CD2 3.3Å; N75-F78 PolarHBondContact OD1-N 3.34Å; N75-A79 WeakPolarHBondContact O-CB 3.48Å; N75-A79 PolarHBondContact O-N 2.92Å; N75-A79 VanDerWaalsContact O-N 3.11Å
76Q97.2Very high97.9Very high39 Ų3949.6 Ų49.618%0.18224%0.242CC..Hα-helixtrans-61.7-42.7-177.1-164.4-172.3-3.900113.4H4 S5 L7 L8 G71 T80H4-Q76 VanDerWaalsContact C-OE1 3.31Å; H4-Q76 PolarHBondContact O-NE2 3.22Å; H4-Q76 PolarHBondContact O-OE1 3.39Å; S5-Q76 VanDerWaalsContact C-NE2 3.3Å; L7-Q76 HydrophobicContact CB-CG 4.33Å; L7-Q76 HydrophobicContact CD1-CG 4.5Å; L8-Q76 HydrophobicContact CD1-CG 4.21Å; L8-Q76 HydrophobicContact CD2-CG 4.18Å; L8-Q76 HydrophobicContact CG-CG 3.86Å; G71-Q76 WeakPolarHBondContact O-CA 3.4Å; G71-Q76 PolarHBondContact O-N 3.24Å; Q76-T80 WeakPolarHBondContact O-CB 3.42Å; Q76-T80 PolarHBondContact O-N 2.86Å; Q76-T80 PolarHBondContact O-OG1 2.9Å
77V97.1Very high97.9Very high83 Ų8349.8 Ų49.850%0.50324%0.242SC..Hα-helixtrans-69-46.8-175.5178.90000110.7L7 N75 A79 T80 C81L7-V77 HydrophobicContact CD1-CG2 4.16Å; N75-V77 PolarHBondContact O-N 2.91Å; N75-V77 WeakPolarHBondContact OD1-CB 3.34Å; N75-V77 PolarHBondContact OD1-N 2.88Å; V77-A79 PolarHBondContact O-N 3.36Å; V77-T80 WeakPolarHBondContact O-CB 3.4Å; V77-T80 PolarHBondContact O-N 3.01Å; V77-C81 PolarHBondContact O-N 3.26Å; V77-C81 PolarHBondContact O-SG 2.92Å
78F96.9Very high97.9Very high125 Ų12556.2 Ų56.255%0.54827%0.267SS..Hα-helixtrans-61.9-45.3177.3-73.1-60.3000111.8F74 N75 T80 C81 L82F74-F78 HydrophobicContact CE1-CD2 4.38Å; N75-F78 HydrophobicContact CB-CB 4.27Å; N75-F78 HydrophobicContact CB-CD2 3.7Å; N75-F78 HydrophobicContact CB-CG 4.46Å; N75-F78 VanDerWaalsContact CG-CD2 3.45Å; N75-F78 WeakPolarHBondContact OD1-CD2 3.3Å; N75-F78 PolarHBondContact OD1-N 3.34Å; F78-T80 VanDerWaalsContact C-N 3.29Å; F78-T80 PolarHBondContact O-N 3.21Å; F78-C81 PolarHBondContact O-N 3.35Å; F78-L82 WeakPolarHBondContact O-CG 3.48Å; F78-L82 PolarHBondContact O-N 3.44Å
79A98.3Very high98Very high1 Ų153.1 Ų53.11%0.00826%0.256CS..Hα-helixtrans-60-39.8176.400000111.8L8 L67 A70 G71 N75 V77 L82 G83 L118L8-A79 HydrophobicContact CD2-CB 4.04Å; L67-A79 HydrophobicContact CD1-CB 4.3Å; L67-A79 VanDerWaalsContact CD1-O 3.23Å; L67-A79 WeakPolarHBondContact CD1-O 3.32Å; A70-A79 HydrophobicContact CB-CB 4.04Å; G71-A79 VanDerWaalsContact CA-CB 3.5Å; N75-A79 WeakPolarHBondContact O-CB 3.48Å; N75-A79 PolarHBondContact O-N 2.92Å; N75-A79 VanDerWaalsContact O-N 3.11Å; V77-A79 PolarHBondContact O-N 3.36Å; A79-L82 PolarHBondContact O-N 3.05Å; A79-G83 PolarHBondContact O-N 3.11Å; A79-L118 HydrophobicContact CB-CD2 4.22Å
80T98.5Very high98Very high16 Ų1650.7 Ų50.710%0.09824%0.244CC..Hα-helixtrans-63-48.8175.2-75.10000112.7L7 V11 Q76 V77 F78 L82 G83 L84L7-T80 HydrophobicContact CB-CG2 4.11Å; L7-T80 WeakPolarHBondContact CB-OG1 3.36Å; V11-T80 HydrophobicContact CG2-CG2 3.79Å; Q76-T80 WeakPolarHBondContact O-CB 3.42Å; Q76-T80 PolarHBondContact O-N 2.86Å; Q76-T80 PolarHBondContact O-OG1 2.9Å; V77-T80 WeakPolarHBondContact O-CB 3.4Å; V77-T80 PolarHBondContact O-N 3.01Å; F78-T80 VanDerWaalsContact C-N 3.29Å; F78-T80 PolarHBondContact O-N 3.21Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.38Å; T80-G83 PolarHBondContact O-N 3.09Å; T80-G83 VanDerWaalsContact O-N 3.15Å; T80-L84 HydrophobicContact CG2-CD1 4.47Å; T80-L84 WeakPolarHBondContact O-CG 3.34Å; T80-L84 PolarHBondContact O-N 2.95Å
81C98.6Very high98Very high69 Ų6954 Ų5447%0.46626%0.258SS..Hα-helixtrans-58.7-45.7177.7-68.40000111.3V77 F78 G83 L84 V85V77-C81 PolarHBondContact O-N 3.26Å; V77-C81 PolarHBondContact O-SG 2.92Å; F78-C81 PolarHBondContact O-N 3.35Å; C81-G83 VanDerWaalsContact C-N 3.34Å; C81-G83 PolarHBondContact O-N 3.43Å; C81-L84 PolarHBondContact O-N 3.43Å; C81-V85 WeakPolarHBondContact O-CG2 3.44Å; C81-V85 PolarHBondContact O-N 3.42Å; C81-V85 VanDerWaalsContact O-N 3.08Å
82L98.8Very high98Very high26 Ų2657.9 Ų57.914%0.13628%0.275CS..Hα-helixtrans-61.4-42.2175.2-69.3176.9000111.7F78 A79 T80 L84 V85 Y86 I114 L117 L118 L121F78-L82 WeakPolarHBondContact O-CG 3.48Å; F78-L82 PolarHBondContact O-N 3.44Å; A79-L82 PolarHBondContact O-N 3.05Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.38Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-L84 PolarHBondContact O-N 3.01Å; L82-V85 PolarHBondContact O-N 3.48Å; L82-V85 VanDerWaalsContact O-N 3.15Å; L82-Y86 PolarHBondContact O-N 3.38Å; L82-I114 HydrophobicContact CB-CG2 4.04Å; L82-I114 HydrophobicContact CD2-CD1 3.77Å; L82-I114 HydrophobicContact CD2-CG2 4.5Å; L82-I114 VanDerWaalsContact O-CG2 3.28Å; L82-I114 WeakPolarHBondContact O-CG2 3.49Å; L82-L117 HydrophobicContact CD1-CD2 3.84Å; L82-L117 HydrophobicContact CD1-CG 3.92Å; L82-L117 HydrophobicContact CD2-CD2 3.67Å; L82-L117 HydrophobicContact CG-CD2 4.44Å; L82-L118 HydrophobicContact CB-CD2 3.85Å; L82-L118 HydrophobicContact CB-CG 4.14Å; L82-L118 HydrophobicContact CD1-CD2 3.88Å; L82-L118 HydrophobicContact CD1-CG 4.25Å; L82-L121 HydrophobicContact CD1-CD1 3.67Å
83G98.8Very high98.1Very high0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-58.9-40.6175.600000113.5A79 T80 C81 Y86 I87A79-G83 PolarHBondContact O-N 3.11Å; T80-G83 PolarHBondContact O-N 3.09Å; T80-G83 VanDerWaalsContact O-N 3.15Å; C81-G83 VanDerWaalsContact C-N 3.34Å; C81-G83 PolarHBondContact O-N 3.43Å; G83-Y86 WeakPolarHBondContact O-CB 3.47Å; G83-Y86 PolarHBondContact O-N 2.99Å; G83-I87 WeakPolarHBondContact O-CG1 3.36Å; G83-I87 PolarHBondContact O-N 3.11Å
84L98.9Very high98.2Very high81 Ų8146.5 Ų46.542%0.42423%0.231SC..Hα-helixtrans-64.8-42.1174-66.6174.4000112V11 L14 T80 C81 L82 Y86 I87 Y88V11-L84 HydrophobicContact CG2-CD2 4.12Å; V11-L84 HydrophobicContact CG2-CG 4.24Å; L14-L84 HydrophobicContact CD2-CD2 3.79Å; T80-L84 HydrophobicContact CG2-CD1 4.47Å; T80-L84 WeakPolarHBondContact O-CG 3.34Å; T80-L84 PolarHBondContact O-N 2.95Å; C81-L84 PolarHBondContact O-N 3.43Å; L82-L84 VanDerWaalsContact C-N 3.33Å; L82-L84 PolarHBondContact O-N 3.01Å; L84-Y86 VanDerWaalsContact C-N 3.32Å; L84-Y86 PolarHBondContact O-N 3.23Å; L84-I87 PolarHBondContact O-N 3.5Å; L84-Y88 PolarHBondContact O-N 3.03Å
85V98.9Very high98.4Very high58 Ų5846.4 Ų46.435%0.35223%0.228SC..Hα-helixtrans-63.9-38.4175.3179.90000111C81 L82 Y88 A89 L110 I114C81-V85 WeakPolarHBondContact O-CG2 3.44Å; C81-V85 PolarHBondContact O-N 3.42Å; C81-V85 VanDerWaalsContact O-N 3.08Å; L82-V85 PolarHBondContact O-N 3.48Å; L82-V85 VanDerWaalsContact O-N 3.15Å; V85-Y88 PolarHBondContact O-N 2.83Å; V85-A89 WeakPolarHBondContact O-CB 3.39Å; V85-A89 PolarHBondContact O-N 3.23Å; V85-L110 HydrophobicContact CG1-CD1 4.27Å; V85-L110 HydrophobicContact CG1-CD2 4.34Å; V85-L110 HydrophobicContact CG1-CG 4.43Å; V85-I114 HydrophobicContact CB-CD1 4.14Å; V85-I114 HydrophobicContact CB-CG1 4.38Å; V85-I114 HydrophobicContact CG1-CD1 3.71Å; V85-I114 HydrophobicContact CG1-CG1 3.87Å
86Y98.9Very high98.5Very high5 Ų544.2 Ų44.22%0.0222%0.219CC..Hα-helixtrans-61-46.3174.2176.8-97000112.1F63 L82 G83 L84 Y88 A89 R90 L115F63-Y86 HydrophobicContact CB-CD1 4.29Å; F63-Y86 HydrophobicContact CB-CE1 3.61Å; F63-Y86 HydrophobicContact CB-CE2 4.47Å; F63-Y86 AromaticContact CD1-CD1 3.93Å; F63-Y86 HydrophobicContact CD1-CD1 3.93Å; F63-Y86 AromaticContact CD1-CE1 3.7Å; F63-Y86 HydrophobicContact CD1-CE1 3.7Å; F63-Y86 AromaticContact CD2-CD1 3.24Å; F63-Y86 HydrophobicContact CD2-CD1 3.24Å; F63-Y86 HydrophobicContact CD2-CD2 4.18Å; F63-Y86 AromaticContact CD2-CE1 3.49Å; F63-Y86 HydrophobicContact CD2-CE1 3.49Å; F63-Y86 VanDerWaalsContact CD2-CE1 3.49Å; F63-Y86 HydrophobicContact CD2-CE2 4.39Å; F63-Y86 AromaticContact CD2-CG 3.6Å; F63-Y86 HydrophobicContact CD2-CG 3.6Å; F63-Y86 HydrophobicContact CE1-CD1 4.04Å; F63-Y86 HydrophobicContact CE1-CE1 4.24Å; F63-Y86 AromaticContact CE2-CD1 3.38Å; F63-Y86 HydrophobicContact CE2-CD1 3.38Å; F63-Y86 HydrophobicContact CE2-CE1 4.07Å; F63-Y86 AromaticContact CE2-CG 3.72Å; F63-Y86 HydrophobicContact CE2-CG 3.72Å; F63-Y86 AromaticContact CG-CD1 3.52Å; F63-Y86 HydrophobicContact CG-CD1 3.52Å; F63-Y86 AromaticContact CG-CE1 3.27Å; F63-Y86 HydrophobicContact CG-CE1 3.27Å; F63-Y86 HydrophobicContact CG-CG 4.28Å; F63-Y86 AromaticContact CG-CZ 3.87Å; F63-Y86 AromaticContact CZ-CD1 3.77Å; F63-Y86 HydrophobicContact CZ-CD1 3.77Å; F63-Y86 HydrophobicContact CZ-CE1 4.4Å; F63-Y86 HydrophobicContact CZ-CG 4.47Å; L82-Y86 PolarHBondContact O-N 3.38Å; G83-Y86 WeakPolarHBondContact O-CB 3.47Å; G83-Y86 PolarHBondContact O-N 2.99Å; L84-Y86 VanDerWaalsContact C-N 3.32Å; L84-Y86 PolarHBondContact O-N 3.23Å; Y86-Y88 VanDerWaalsContact C-N 3.33Å; Y86-Y88 PolarHBondContact O-N 3.15Å; Y86-A89 WeakPolarHBondContact O-CB 3.23Å; Y86-A89 PolarHBondContact O-N 3.22Å; Y86-R90 HydrophobicContact CD1-CG 4.17Å; Y86-R90 HydrophobicContact CE1-CG 3.69Å; Y86-R90 HydrophobicContact CE2-CG 4.08Å; Y86-R90 VanDerWaalsContact CZ-NE 3.32Å; Y86-R90 WeakPolarHBondContact O-CG 3.44Å; Y86-R90 PolarHBondContact O-N 3.17Å; Y86-R90 PolarHBondContact OH-NE 3.42Å; Y86-R90 PolarHBondContact OH-NH2 3.16Å; Y86-L115 HydrophobicContact CD2-CD2 4.28Å; Y86-L115 HydrophobicContact CD2-CG 3.96Å; Y86-L115 HydrophobicContact CE2-CD1 3.68Å; Y86-L115 HydrophobicContact CE2-CD2 3.9Å; Y86-L115 HydrophobicContact CE2-CG 3.57Å
87I98.9Very high98.5Very high18 Ų1844 Ų449%0.09222%0.217CC..Hα-helixtrans-59.3-45.9176.5-68.8168.2000110V11 L14 Q18 G83 L84 A89 R90 H91V11-I87 HydrophobicContact CG1-CD1 3.95Å; L14-I87 HydrophobicContact CB-CD1 4.29Å; L14-I87 HydrophobicContact CD2-CD1 3.93Å; L14-I87 HydrophobicContact CG-CD1 4Å; Q18-I87 PolarHBondContact NE2-O 3.31Å; G83-I87 WeakPolarHBondContact O-CG1 3.36Å; G83-I87 PolarHBondContact O-N 3.11Å; L84-I87 PolarHBondContact O-N 3.5Å; I87-A89 PolarHBondContact O-N 2.99Å; I87-R90 PolarHBondContact O-N 2.99Å; I87-H91 PolarHBondContact O-N 2.95Å
88Y98.8Very high98.6Very high136 Ų13640.7 Ų40.753%0.53320%0.198SC..Hα-helixtrans-59.8-47.1175.4172.5-100.7000112.2L84 V85 Y86 R90 H91 Q92 L110L84-Y88 PolarHBondContact O-N 3.03Å; V85-Y88 PolarHBondContact O-N 2.83Å; Y86-Y88 VanDerWaalsContact C-N 3.33Å; Y86-Y88 PolarHBondContact O-N 3.15Å; Y88-R90 VanDerWaalsContact C-N 3.29Å; Y88-R90 PolarHBondContact O-N 2.85Å; Y88-H91 WeakPolarHBondContact O-CB 3.18Å; Y88-H91 PolarHBondContact O-N 3.14Å; Y88-H91 VanDerWaalsContact O-N 3.09Å; Y88-Q92 HydrophobicContact CD1-CG 4.45Å; Y88-Q92 HydrophobicContact CE1-CG 3.92Å; Y88-Q92 HydrophobicContact CE2-CG 4.18Å; Y88-Q92 PolarHBondContact O-N 2.88Å; Y88-L110 HydrophobicContact CD1-CD2 4.41Å
89A98.8Very high98.6Very high0 Ų040.4 Ų40.40%020%0.198CC..Hα-helixtrans-59.7-39.6178.100000112.2V85 Y86 I87 H91 Q92 Y93 G107 L110 S111V85-A89 WeakPolarHBondContact O-CB 3.39Å; V85-A89 PolarHBondContact O-N 3.23Å; Y86-A89 WeakPolarHBondContact O-CB 3.23Å; Y86-A89 PolarHBondContact O-N 3.22Å; I87-A89 PolarHBondContact O-N 2.99Å; A89-H91 VanDerWaalsContact C-N 3.34Å; A89-Q92 PolarHBondContact O-N 3.47Å; A89-Y93 WeakPolarHBondContact O-CB 3.45Å; A89-Y93 PolarHBondContact O-N 3.03Å; A89-G107 WeakPolarHBondContact O-CA 3.24Å; A89-L110 HydrophobicContact CB-CB 3.87Å; A89-L110 HydrophobicContact CB-CD2 3.68Å; A89-L110 HydrophobicContact CB-CG 3.62Å; A89-S111 VanDerWaalsContact CB-OG 3.29Å; A89-S111 WeakPolarHBondContact CB-OG 3.42Å
90R98.8Very high98.5Very high1 Ų142 Ų420%0.00421%0.211CC..Hα-helixtrans-66.5-34.6175.2-76.6-66-179.9-174.2-5.7112.9N55 Y86 I87 Y88 Y93 F94 S111N55-R90 PolarHBondContact OD1-NH1 2.98Å; Y86-R90 HydrophobicContact CD1-CG 4.17Å; Y86-R90 HydrophobicContact CE1-CG 3.69Å; Y86-R90 HydrophobicContact CE2-CG 4.08Å; Y86-R90 VanDerWaalsContact CZ-NE 3.32Å; Y86-R90 WeakPolarHBondContact O-CG 3.44Å; Y86-R90 PolarHBondContact O-N 3.17Å; Y86-R90 PolarHBondContact OH-NE 3.42Å; Y86-R90 PolarHBondContact OH-NH2 3.16Å; I87-R90 PolarHBondContact O-N 2.99Å; Y88-R90 VanDerWaalsContact C-N 3.29Å; Y88-R90 PolarHBondContact O-N 2.85Å; R90-Y93 PolarHBondContact O-N 3.3Å; R90-F94 WeakPolarHBondContact O-CB 3.45Å; R90-F94 PolarHBondContact O-N 3.47Å; R90-S111 PolarHBondContact N-OG 3.34Å
91H98.8Very high98.4Very high69 Ų6943.2 Ų43.232%0.31922%0.223SC..Hα-helixtrans-63.8-46.9172.7-166.577.3000111.6I87 Y88 A89 Y93 F94 W95I87-H91 PolarHBondContact O-N 2.95Å; Y88-H91 WeakPolarHBondContact O-CB 3.18Å; Y88-H91 PolarHBondContact O-N 3.14Å; Y88-H91 VanDerWaalsContact O-N 3.09Å; A89-H91 VanDerWaalsContact C-N 3.34Å; H91-Y93 PolarHBondContact O-N 3.35Å; H91-F94 PolarHBondContact O-N 3.22Å; H91-W95 AromaticContact CD2-CD1 3.82Å; H91-W95 AromaticContact CE1-CD1 3.41Å; H91-W95 VanDerWaalsContact CE1-CD1 3.41Å; H91-W95 AromaticContact CE1-NE1 3.27Å; H91-W95 PolarHBondContact CE1-NE1 3.03Å; H91-W95 VanDerWaalsContact CE1-NE1 3.27Å; H91-W95 AromaticContact ND1-CD1 3.83Å; H91-W95 AromaticContact ND1-NE1 3.92Å; H91-W95 AromaticContact NE2-CD1 3.37Å; H91-W95 AromaticContact NE2-NE1 3.6Å; H91-W95 PolarHBondContact O-N 3.38Å; H91-W95 VanDerWaalsContact O-N 3.14Å
92Q98.7Very high98.3Very high88 Ų8849 Ų4941%0.41124%0.24SC..Hα-helixtrans-62.1-42.4175.6-67-61-50.500111.9Y88 A89 G96Y88-Q92 HydrophobicContact CD1-CG 4.45Å; Y88-Q92 HydrophobicContact CE1-CG 3.92Å; Y88-Q92 HydrophobicContact CE2-CG 4.18Å; Y88-Q92 PolarHBondContact O-N 2.88Å; A89-Q92 PolarHBondContact O-N 3.47Å; Q92-G96 WeakPolarHBondContact O-CA 3.44Å; Q92-G96 PolarHBondContact O-N 3.45Å
93Y98.8Very high98.2Very high6 Ų653 Ų532%0.02426%0.256CS..Hα-helixtrans-58.6-51.6175.7172.1-101.9000111.7N55 A89 R90 H91 Y97 R104 F108N55-Y93 HydrophobicContact CB-CE1 4.02Å; N55-Y93 WeakPolarHBondContact CB-OH 3.49Å; N55-Y93 PolarHBondContact OD1-OH 2.93Å; A89-Y93 WeakPolarHBondContact O-CB 3.45Å; A89-Y93 PolarHBondContact O-N 3.03Å; R90-Y93 PolarHBondContact O-N 3.3Å; H91-Y93 PolarHBondContact O-N 3.35Å; Y93-Y97 HydrophobicContact CE1-CD1 4.28Å; Y93-Y97 HydrophobicContact CE2-CD1 4.21Å; Y93-Y97 AromaticContact CZ-CD1 3.73Å; Y93-Y97 VanDerWaalsContact O-CB 3.28Å; Y93-Y97 WeakPolarHBondContact O-CB 3.44Å; Y93-Y97 PolarHBondContact O-N 2.89Å; Y93-Y97 WeakPolarHBondContact OH-CD1 3.42Å; Y93-Y97 WeakPolarHBondContact OH-CE1 3.45Å; Y93-R104 HydrophobicContact CD2-CB 3.87Å; Y93-R104 HydrophobicContact CD2-CG 4.4Å; Y93-R104 WeakPolarHBondContact CD2-O 3.26Å; Y93-R104 HydrophobicContact CE2-CB 3.76Å; Y93-R104 HydrophobicContact CE2-CG 3.93Å; Y93-F108 HydrophobicContact CD2-CB 3.58Å; Y93-F108 AromaticContact CD2-CD2 3.98Å; Y93-F108 HydrophobicContact CD2-CD2 3.98Å; Y93-F108 HydrophobicContact CD2-CG 4.23Å; Y93-F108 HydrophobicContact CE2-CB 3.79Å; Y93-F108 AromaticContact CE2-CD2 3.62Å; Y93-F108 HydrophobicContact CE2-CD2 3.62Å; Y93-F108 HydrophobicContact CE2-CG 4.02Å
94F98.8Very high98.1Very high0 Ų056.6 Ų56.60%027%0.27CS..Hα-helixtrans-62.4-50-174.9179.2-95000111.8F22 H25 I49 A52 Q53 R90 H91 Y97 S98F22-F94 HydrophobicContact CB-CD2 4.12Å; F22-F94 HydrophobicContact CB-CE2 3.86Å; F22-F94 HydrophobicContact CB-CZ 4.18Å; F22-F94 HydrophobicContact CD1-CB 3.97Å; F22-F94 AromaticContact CD1-CD1 3.39Å; F22-F94 HydrophobicContact CD1-CD1 3.39Å; F22-F94 AromaticContact CD1-CD2 3.61Å; F22-F94 HydrophobicContact CD1-CD2 3.61Å; F22-F94 AromaticContact CD1-CE1 3.69Å; F22-F94 HydrophobicContact CD1-CE1 3.69Å; F22-F94 AromaticContact CD1-CE2 3.92Å; F22-F94 HydrophobicContact CD1-CE2 3.92Å; F22-F94 AromaticContact CD1-CG 3.35Å; F22-F94 HydrophobicContact CD1-CG 3.35Å; F22-F94 AromaticContact CD1-CZ 3.93Å; F22-F94 HydrophobicContact CD1-CZ 3.93Å; F22-F94 HydrophobicContact CD2-CD2 4.23Å; F22-F94 HydrophobicContact CD2-CG 4.45Å; F22-F94 HydrophobicContact CE1-CB 3.45Å; F22-F94 VanDerWaalsContact CE1-CB 3.45Å; F22-F94 AromaticContact CE1-CD1 3.48Å; F22-F94 HydrophobicContact CE1-CD1 3.48Å; F22-F94 VanDerWaalsContact CE1-CD1 3.48Å; F22-F94 HydrophobicContact CE1-CD2 4.03Å; F22-F94 HydrophobicContact CE1-CE1 4.22Å; F22-F94 AromaticContact CE1-CG 3.36Å; F22-F94 HydrophobicContact CE1-CG 3.36Å; F22-F94 HydrophobicContact CE2-CB 4.19Å; F22-F94 HydrophobicContact CE2-CG 4.44Å; F22-F94 HydrophobicContact CG-CD1 4.34Å; F22-F94 AromaticContact CG-CD2 3.74Å; F22-F94 HydrophobicContact CG-CD2 3.74Å; F22-F94 AromaticContact CG-CE2 3.97Å; F22-F94 HydrophobicContact CG-CE2 3.97Å; F22-F94 AromaticContact CG-CG 3.95Å; F22-F94 HydrophobicContact CG-CG 3.95Å; F22-F94 HydrophobicContact CG-CZ 4.33Å; F22-F94 HydrophobicContact CZ-CB 3.57Å; F22-F94 HydrophobicContact CZ-CD1 4.45Å; F22-F94 HydrophobicContact CZ-CD2 4.49Å; F22-F94 AromaticContact CZ-CG 3.93Å; F22-F94 HydrophobicContact CZ-CG 3.93Å; H25-F94 HydrophobicContact CB-CE1 4.1Å; H25-F94 HydrophobicContact CB-CZ 3.88Å; I49-F94 HydrophobicContact CG2-CE2 4.45Å; I49-F94 HydrophobicContact CG2-CZ 3.95Å; A52-F94 HydrophobicContact CB-CD2 3.62Å; A52-F94 HydrophobicContact CB-CE2 3.96Å; A52-F94 HydrophobicContact CB-CG 4.42Å; Q53-F94 HydrophobicContact CB-CE2 3.94Å; R90-F94 WeakPolarHBondContact O-CB 3.45Å; R90-F94 PolarHBondContact O-N 3.47Å; H91-F94 PolarHBondContact O-N 3.22Å; F94-Y97 PolarHBondContact O-N 3.37Å; F94-S98 WeakPolarHBondContact O-CB 3.44Å; F94-S98 PolarHBondContact O-N 3.28Å; F94-S98 PolarHBondContact O-OG 3.42Å
95W98.6Very high98.1Very high95 Ų9555.6 Ų55.636%0.3626%0.264SS..Hα-helixtrans-71.8-40-179.1-78.3117.5000112.9Y21 H25 H91 Y97 S98 E99Y21-W95 HydrophobicContact CE1-CZ2 4.32Å; Y21-W95 AromaticContact CE1-NE1 3.87Å; Y21-W95 VanDerWaalsContact OH-CZ2 3.22Å; Y21-W95 WeakPolarHBondContact OH-CZ2 3.35Å; Y21-W95 PolarHBondContact OH-NE1 3.39Å; H25-W95 AromaticContact CE1-CH2 3.43Å; H25-W95 VanDerWaalsContact CE1-CH2 3.43Å; H25-W95 WeakPolarHBondContact CE1-CH2 3.41Å; H25-W95 AromaticContact CE1-CZ2 3.5Å; H25-W95 AromaticContact ND1-CH2 3.54Å; H25-W95 AromaticContact ND1-CZ2 3.87Å; H25-W95 AromaticContact NE2-CZ2 3.69Å; H91-W95 AromaticContact CD2-CD1 3.82Å; H91-W95 AromaticContact CE1-CD1 3.41Å; H91-W95 VanDerWaalsContact CE1-CD1 3.41Å; H91-W95 AromaticContact CE1-NE1 3.27Å; H91-W95 PolarHBondContact CE1-NE1 3.03Å; H91-W95 VanDerWaalsContact CE1-NE1 3.27Å; H91-W95 AromaticContact ND1-CD1 3.83Å; H91-W95 AromaticContact ND1-NE1 3.92Å; H91-W95 AromaticContact NE2-CD1 3.37Å; H91-W95 AromaticContact NE2-NE1 3.6Å; H91-W95 PolarHBondContact O-N 3.38Å; H91-W95 VanDerWaalsContact O-N 3.14Å; W95-Y97 VanDerWaalsContact C-N 3.32Å; W95-Y97 PolarHBondContact O-N 2.85Å; W95-S98 PolarHBondContact O-N 2.89Å; W95-E99 PolarHBondContact O-N 2.96Å
96G98.5Very high98Very high12 Ų1258.4 Ų58.412%0.12428%0.282CS..Hα-helixtrans-57.8-45.7172.800000111.6Q92 E99 A100 K103Q92-G96 WeakPolarHBondContact O-CA 3.44Å; Q92-G96 PolarHBondContact O-N 3.45Å; G96-E99 PolarHBondContact O-N 3.43Å; G96-A100 PolarHBondContact O-N 3.43Å; G96-K103 WeakPolarHBondContact O-CB 3.39Å
97Y98.4Very high97.9Very high35 Ų3558.3 Ų58.314%0.13728%0.283CS..Hα-helixtrans-66.9-43.1178.2-158.2170.5000111.8R48 R51 A52 Y93 F94 W95 E99 A100 A101 R104R48-Y97 HydrophobicContact CB-CD2 4.3Å; R48-Y97 HydrophobicContact CB-CE2 4.49Å; R48-Y97 WeakPolarHBondContact CD-O 3.4Å; R48-Y97 HydrophobicContact CG-CD2 4.28Å; R48-Y97 HydrophobicContact CG-CE2 4.17Å; R51-Y97 HydrophobicContact CB-CE1 4.33Å; A52-Y97 HydrophobicContact CB-CD1 3.78Å; A52-Y97 HydrophobicContact CB-CG 4.05Å; Y93-Y97 HydrophobicContact CE1-CD1 4.28Å; Y93-Y97 HydrophobicContact CE2-CD1 4.21Å; Y93-Y97 AromaticContact CZ-CD1 3.73Å; Y93-Y97 VanDerWaalsContact O-CB 3.28Å; Y93-Y97 WeakPolarHBondContact O-CB 3.44Å; Y93-Y97 PolarHBondContact O-N 2.89Å; Y93-Y97 WeakPolarHBondContact OH-CD1 3.42Å; Y93-Y97 WeakPolarHBondContact OH-CE1 3.45Å; F94-Y97 PolarHBondContact O-N 3.37Å; W95-Y97 VanDerWaalsContact C-N 3.32Å; W95-Y97 PolarHBondContact O-N 2.85Å; Y97-E99 PolarHBondContact O-N 2.93Å; Y97-A100 CarbonylContact O-C 3.55Å; Y97-A100 PolarHBondContact O-N 3.45Å; Y97-A101 HydrophobicContact CD2-CB 4.45Å; Y97-A101 HydrophobicContact CE2-CB 4.04Å; Y97-R104 HydrophobicContact CD1-CB 4.13Å; Y97-R104 HydrophobicContact CD1-CG 4.46Å; Y97-R104 HydrophobicContact CD2-CB 4.33Å; Y97-R104 HydrophobicContact CG-CB 3.78Å; Y97-R104 HydrophobicContact CG-CG 4.4Å
98S97.4Very high97.9Very high13 Ų1360 Ų609%0.09129%0.289CS..Hα-helixtrans-55.3-40.7177.8-62.20000111.7R48 F94 W95R48-S98 PolarHBondContact NE-O 3.27Å; F94-S98 WeakPolarHBondContact O-CB 3.44Å; F94-S98 PolarHBondContact O-N 3.28Å; F94-S98 PolarHBondContact O-OG 3.42Å; W95-S98 PolarHBondContact O-N 2.89Å
99E97Very high97.9Very high119 Ų11962 Ų6256%0.55630%0.296SS*.Hα-helixtrans-70.8-57.8175.6-165.9-170.2169.300111.8W95 G96 Y97 K103W95-E99 PolarHBondContact O-N 2.96Å; G96-E99 PolarHBondContact O-N 3.43Å; Y97-E99 PolarHBondContact O-N 2.93Å; E99-K103 HydrophobicContact CB-CD 4.48Å; E99-K103 HydrophobicContact CG-CD 4.38Å; E99-K103 IonicContact OE1-NZ 2.86Å; E99-K103 PolarHBondContact OE1-NZ 3.43Å; E99-K103 WeakPolarHBondContact OE2-CD 3.43Å; E99-K103 IonicContact OE2-NZ 3.49Å; E99-K103 PolarHBondContact OE2-NZ 3.28Å
100A97.3Very high97.9Very high35 Ų3565.1 Ų65.129%0.28931%0.312SS..  trans-152.8140.7-179.100000112.2G96 Y97 K102 K103G96-A100 PolarHBondContact O-N 3.43Å; Y97-A100 CarbonylContact O-C 3.55Å; Y97-A100 PolarHBondContact O-N 3.45Å; A100-K102 PolarHBondContact O-N 3.01Å; A100-K103 HydrophobicContact CB-CB 4.44Å; A100-K103 HydrophobicContact CB-CD 4.24Å; A100-K103 HydrophobicContact CB-CG 4.2Å; A100-K103 PolarHBondContact O-N 2.76Å
101A95.9Very high97.9Very high42 Ų4265.1 Ų65.135%0.34731%0.312SS..G310 helixtrans-53.8-35.4-177.800000114.2Y97 R104Y97-A101 HydrophobicContact CD2-CB 4.45Å; Y97-A101 HydrophobicContact CE2-CB 4.04Å; A101-R104 WeakPolarHBondContact O-CD 3.25Å; A101-R104 VanDerWaalsContact O-CG 3.25Å; A101-R104 WeakPolarHBondContact O-CG 3.42Å; A101-R104 PolarHBondContact O-NH1 3.38Å; A101-R104 VanDerWaalsContact O-NH1 3.12Å
102K96.6Very high97.9Very high191 Ų19165 Ų6583%0.8331%0.314SS*.G310 helixtrans-74-28.3178.8-66.6-179.4179.3178.80113.4A100 R104 I105A100-K102 PolarHBondContact O-N 3.01Å; K102-R104 PolarHBondContact O-N 3.06Å; K102-I105 WeakPolarHBondContact O-CG1 3.44Å
103K97.2Very high97.9Very high108 Ų10863.6 Ų63.647%0.4732%0.317SS..G310 helixtrans-74.6-11.6-177.6-74.2-175.6170.1-169.50113.3G96 E99 A100 I105G96-K103 WeakPolarHBondContact O-CB 3.39Å; E99-K103 HydrophobicContact CB-CD 4.48Å; E99-K103 HydrophobicContact CG-CD 4.38Å; E99-K103 IonicContact OE1-NZ 2.86Å; E99-K103 PolarHBondContact OE1-NZ 3.43Å; E99-K103 WeakPolarHBondContact OE2-CD 3.43Å; E99-K103 IonicContact OE2-NZ 3.49Å; E99-K103 PolarHBondContact OE2-NZ 3.28Å; A100-K103 HydrophobicContact CB-CB 4.44Å; A100-K103 HydrophobicContact CB-CD 4.24Å; A100-K103 HydrophobicContact CB-CG 4.2Å; A100-K103 PolarHBondContact O-N 2.76Å; K103-I105 VanDerWaalsContact C-N 3.26Å; K103-I105 PolarHBondContact O-N 3.01Å
104R97.3Very high97.9Very high77 Ų7764 Ų6429%0.29132%0.32SS..G310 helixtrans-66.8-23.8176.185.3-174.2179.6-116.84114.1Y93 Y97 A101 K102 T106 G107 F108Y93-R104 HydrophobicContact CD2-CB 3.87Å; Y93-R104 HydrophobicContact CD2-CG 4.4Å; Y93-R104 WeakPolarHBondContact CD2-O 3.26Å; Y93-R104 HydrophobicContact CE2-CB 3.76Å; Y93-R104 HydrophobicContact CE2-CG 3.93Å; Y97-R104 HydrophobicContact CD1-CB 4.13Å; Y97-R104 HydrophobicContact CD1-CG 4.46Å; Y97-R104 HydrophobicContact CD2-CB 4.33Å; Y97-R104 HydrophobicContact CG-CB 3.78Å; Y97-R104 HydrophobicContact CG-CG 4.4Å; A101-R104 WeakPolarHBondContact O-CD 3.25Å; A101-R104 VanDerWaalsContact O-CG 3.25Å; A101-R104 WeakPolarHBondContact O-CG 3.42Å; A101-R104 PolarHBondContact O-NH1 3.38Å; A101-R104 VanDerWaalsContact O-NH1 3.12Å; K102-R104 PolarHBondContact O-N 3.06Å; R104-T106 PolarHBondContact O-N 2.85Å; R104-G107 PolarHBondContact O-N 3.01Å; R104-F108 WeakPolarHBondContact O-CB 3.3Å; R104-F108 PolarHBondContact O-N 2.94Å
105I97.8Very high97.9Very high59 Ų5964.4 Ų64.430%0.30332%0.322SS..Hα-helixtrans-64.3-40.6-162.4-61.5-61.5000112.6K102 K103 F108 R109K102-I105 WeakPolarHBondContact O-CG1 3.44Å; K103-I105 VanDerWaalsContact C-N 3.26Å; K103-I105 PolarHBondContact O-N 3.01Å; I105-F108 PolarHBondContact O-N 3.5Å; I105-R109 HydrophobicContact CG2-CG 4.22Å; I105-R109 WeakPolarHBondContact O-CB 3.28Å; I105-R109 WeakPolarHBondContact O-CG 3.49Å; I105-R109 PolarHBondContact O-N 3.35Å
106T96.8Very high97.9Very high118 Ų11862.6 Ų62.672%0.72433%0.327SS*.Hα-helixtrans-62.7-51.6-179.3-52.80000111.4R104 F108 R109 L110R104-T106 PolarHBondContact O-N 2.85Å; T106-F108 VanDerWaalsContact C-N 3.32Å; T106-F108 PolarHBondContact O-N 3.1Å; T106-R109 PolarHBondContact O-N 3.38Å; T106-L110 PolarHBondContact O-N 3.42Å; T106-L110 VanDerWaalsContact O-N 3.13Å
107G97.8Very high97.9Very high3 Ų365.6 Ų65.63%0.03134%0.339CS..Hα-helixtrans-61.1-41.3176.300000112.1A89 R104 L110 S111A89-G107 WeakPolarHBondContact O-CA 3.24Å; R104-G107 PolarHBondContact O-N 3.01Å; G107-L110 PolarHBondContact O-N 2.97Å; G107-S111 WeakPolarHBondContact O-CB 3.19Å; G107-S111 PolarHBondContact O-N 3.43Å; G107-S111 PolarHBondContact O-OG 2.96Å; G107-S111 VanDerWaalsContact O-OG 3.12Å
108F98.3Very high97.9Very high52 Ų5263.9 Ų63.923%0.22833%0.333CS..Hα-helixtrans-61.6-48.2178.9-169.5-116.2000112.8F59 Y93 R104 I105 T106 L110 S111 L112F59-F108 HydrophobicContact CE2-CE2 4.42Å; F59-F108 HydrophobicContact CZ-CE2 4.35Å; F59-F108 HydrophobicContact CZ-CZ 4.4Å; Y93-F108 HydrophobicContact CD2-CB 3.58Å; Y93-F108 AromaticContact CD2-CD2 3.98Å; Y93-F108 HydrophobicContact CD2-CD2 3.98Å; Y93-F108 HydrophobicContact CD2-CG 4.23Å; Y93-F108 HydrophobicContact CE2-CB 3.79Å; Y93-F108 AromaticContact CE2-CD2 3.62Å; Y93-F108 HydrophobicContact CE2-CD2 3.62Å; Y93-F108 HydrophobicContact CE2-CG 4.02Å; R104-F108 WeakPolarHBondContact O-CB 3.3Å; R104-F108 PolarHBondContact O-N 2.94Å; I105-F108 PolarHBondContact O-N 3.5Å; T106-F108 VanDerWaalsContact C-N 3.32Å; T106-F108 PolarHBondContact O-N 3.1Å; F108-L110 VanDerWaalsContact C-N 3.35Å; F108-L110 PolarHBondContact O-N 3.21Å; F108-S111 PolarHBondContact O-N 3.33Å; F108-L112 HydrophobicContact CD1-CD1 3.88Å; F108-L112 HydrophobicContact CD1-CG 4.46Å; F108-L112 HydrophobicContact CE1-CD1 3.39Å; F108-L112 HydrophobicContact CE1-CG 4.14Å; F108-L112 HydrophobicContact CE2-CG 4.47Å; F108-L112 HydrophobicContact CZ-CD1 3.76Å; F108-L112 HydrophobicContact CZ-CD2 4.39Å; F108-L112 HydrophobicContact CZ-CG 4.14Å; F108-L112 PolarHBondContact O-N 2.99Å
109R98.5Very high98Very high180 Ų18066.2 Ų66.268%0.67935%0.347SS*.Hα-helixtrans-63.2-42.1-179.9-75.5178.6177.3176.3-0.6111.5I105 T106 L112 A113I105-R109 HydrophobicContact CG2-CG 4.22Å; I105-R109 WeakPolarHBondContact O-CB 3.28Å; I105-R109 WeakPolarHBondContact O-CG 3.49Å; I105-R109 PolarHBondContact O-N 3.35Å; T106-R109 PolarHBondContact O-N 3.38Å; R109-L112 PolarHBondContact O-N 3.49Å; R109-A113 WeakPolarHBondContact O-CB 3.35Å; R109-A113 PolarHBondContact O-N 3.3Å
110L98.6Very high98Very high65 Ų6564.3 Ų64.334%0.3434%0.343SS..Hα-helixtrans-63.7-45.6175.8-178.160.4000111V85 Y88 A89 T106 G107 F108 L112 A113 I114V85-L110 HydrophobicContact CG1-CD1 4.27Å; V85-L110 HydrophobicContact CG1-CD2 4.34Å; V85-L110 HydrophobicContact CG1-CG 4.43Å; Y88-L110 HydrophobicContact CD1-CD2 4.41Å; A89-L110 HydrophobicContact CB-CB 3.87Å; A89-L110 HydrophobicContact CB-CD2 3.68Å; A89-L110 HydrophobicContact CB-CG 3.62Å; T106-L110 PolarHBondContact O-N 3.42Å; T106-L110 VanDerWaalsContact O-N 3.13Å; G107-L110 PolarHBondContact O-N 2.97Å; F108-L110 VanDerWaalsContact C-N 3.35Å; F108-L110 PolarHBondContact O-N 3.21Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 2.89Å; L110-A113 PolarHBondContact O-N 3.44Å; L110-I114 HydrophobicContact CD1-CG1 4.21Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.17Å; L110-I114 PolarHBondContact O-N 2.96Å
111S98.3Very high98.1Very high0 Ų063.7 Ų63.70%033%0.334CS..Hα-helixtrans-57.1-43.9175.2-67.20000112.3A89 R90 G107 F108 L115A89-S111 VanDerWaalsContact CB-OG 3.29Å; A89-S111 WeakPolarHBondContact CB-OG 3.42Å; R90-S111 PolarHBondContact N-OG 3.34Å; G107-S111 WeakPolarHBondContact O-CB 3.19Å; G107-S111 PolarHBondContact O-N 3.43Å; G107-S111 PolarHBondContact O-OG 2.96Å; G107-S111 VanDerWaalsContact O-OG 3.12Å; F108-S111 PolarHBondContact O-N 3.33Å; S111-L115 WeakPolarHBondContact O-CB 3.4Å; S111-L115 WeakPolarHBondContact O-CG 3.46Å; S111-L115 PolarHBondContact O-N 3.32Å
112L98.6Very high98.1Very high67 Ų6761.8 Ų61.835%0.35132%0.319SS..Hα-helixtrans-66.1-42.4177.6-75.8-179000112.8F59 F108 R109 L110 I114 L115 A116F59-L112 HydrophobicContact CE1-CD2 3.68Å; F59-L112 HydrophobicContact CZ-CD2 4.2Å; F108-L112 HydrophobicContact CD1-CD1 3.88Å; F108-L112 HydrophobicContact CD1-CG 4.46Å; F108-L112 HydrophobicContact CE1-CD1 3.39Å; F108-L112 HydrophobicContact CE1-CG 4.14Å; F108-L112 HydrophobicContact CE2-CG 4.47Å; F108-L112 HydrophobicContact CZ-CD1 3.76Å; F108-L112 HydrophobicContact CZ-CD2 4.39Å; F108-L112 HydrophobicContact CZ-CG 4.14Å; F108-L112 PolarHBondContact O-N 2.99Å; R109-L112 PolarHBondContact O-N 3.49Å; L110-L112 VanDerWaalsContact C-N 3.32Å; L110-L112 PolarHBondContact O-N 2.89Å; L112-I114 VanDerWaalsContact C-N 3.32Å; L112-I114 PolarHBondContact O-N 3.38Å; L112-L115 PolarHBondContact O-N 3.02Å; L112-A116 WeakPolarHBondContact O-CB 3.37Å; L112-A116 PolarHBondContact O-N 2.75Å
113A98.8Very high98.2Very high58 Ų5856.8 Ų56.848%0.47931%0.305SS..Hα-helixtrans-61-43.5178.300000111.3R109 L110 A116 L117R109-A113 WeakPolarHBondContact O-CB 3.35Å; R109-A113 PolarHBondContact O-N 3.3Å; L110-A113 PolarHBondContact O-N 3.44Å; A113-A116 PolarHBondContact O-N 3.26Å; A113-L117 WeakPolarHBondContact O-CB 3.46Å; A113-L117 PolarHBondContact O-N 3.15Å
114I98.8Very high98.2Very high16 Ų1656.2 Ų56.28%0.08231%0.306CS..Hα-helixtrans-67.4-40.7177.5-61.7-63.8000111.7L82 V85 L110 L112 L117 L118L82-I114 HydrophobicContact CB-CG2 4.04Å; L82-I114 HydrophobicContact CD2-CD1 3.77Å; L82-I114 HydrophobicContact CD2-CG2 4.5Å; L82-I114 VanDerWaalsContact O-CG2 3.28Å; L82-I114 WeakPolarHBondContact O-CG2 3.49Å; V85-I114 HydrophobicContact CB-CD1 4.14Å; V85-I114 HydrophobicContact CB-CG1 4.38Å; V85-I114 HydrophobicContact CG1-CD1 3.71Å; V85-I114 HydrophobicContact CG1-CG1 3.87Å; L110-I114 HydrophobicContact CD1-CG1 4.21Å; L110-I114 VanDerWaalsContact O-CG1 3.3Å; L110-I114 WeakPolarHBondContact O-CG1 3.17Å; L110-I114 PolarHBondContact O-N 2.96Å; L112-I114 VanDerWaalsContact C-N 3.32Å; L112-I114 PolarHBondContact O-N 3.38Å; I114-L117 PolarHBondContact O-N 3.19Å; I114-L118 HydrophobicContact CG2-CD1 4.18Å; I114-L118 HydrophobicContact CG2-CG 4.48Å; I114-L118 WeakPolarHBondContact O-CG 3.4Å; I114-L118 PolarHBondContact O-N 2.9Å
115L98.7Very high98.1Very high8 Ų852.7 Ų52.74%0.04229%0.294CS..Hα-helixtrans-60.8-48.5174.3-78.6173.2000111.7F59 I62 F63 Y86 S111 L112 L117 L118 T119F59-L115 HydrophobicContact CD1-CD1 3.6Å; F59-L115 HydrophobicContact CE1-CD1 4.23Å; I62-L115 HydrophobicContact CG2-CD2 4.47Å; F63-L115 HydrophobicContact CB-CD2 3.88Å; F63-L115 HydrophobicContact CD2-CD2 4.24Å; Y86-L115 HydrophobicContact CD2-CD2 4.28Å; Y86-L115 HydrophobicContact CD2-CG 3.96Å; Y86-L115 HydrophobicContact CE2-CD1 3.68Å; Y86-L115 HydrophobicContact CE2-CD2 3.9Å; Y86-L115 HydrophobicContact CE2-CG 3.57Å; S111-L115 WeakPolarHBondContact O-CB 3.4Å; S111-L115 WeakPolarHBondContact O-CG 3.46Å; S111-L115 PolarHBondContact O-N 3.32Å; L112-L115 PolarHBondContact O-N 3.02Å; L115-L117 VanDerWaalsContact C-N 3.27Å; L115-L117 PolarHBondContact O-N 2.88Å; L115-L118 PolarHBondContact O-N 3.09Å; L115-T119 PolarHBondContact O-N 3.48Å; L115-T119 PolarHBondContact O-OG1 3.1Å
116A98.8Very high98Very high56 Ų5653.2 Ų53.246%0.46330%0.297SS..Hα-helixtrans-58.6-41.8177.700000111.2L112 A113 T119 V120L112-A116 WeakPolarHBondContact O-CB 3.37Å; L112-A116 PolarHBondContact O-N 2.75Å; A113-A116 PolarHBondContact O-N 3.26Å; A116-T119 WeakPolarHBondContact O-CB 3.44Å; A116-T119 PolarHBondContact O-N 3.45Å; A116-V120 WeakPolarHBondContact O-CG2 3.35Å; A116-V120 PolarHBondContact O-N 3.1Å
117L98.7Very high97.9Very high75 Ų7549.7 Ų49.739%0.39328%0.28SS..Hα-helixtrans-65.3-46.3176.8-17757.2000112L82 A113 I114 L115 T119 V120 L121L82-L117 HydrophobicContact CD1-CD2 3.84Å; L82-L117 HydrophobicContact CD1-CG 3.92Å; L82-L117 HydrophobicContact CD2-CD2 3.67Å; L82-L117 HydrophobicContact CG-CD2 4.44Å; A113-L117 WeakPolarHBondContact O-CB 3.46Å; A113-L117 PolarHBondContact O-N 3.15Å; I114-L117 PolarHBondContact O-N 3.19Å; L115-L117 VanDerWaalsContact C-N 3.27Å; L115-L117 PolarHBondContact O-N 2.88Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 3.48Å; L117-V120 PolarHBondContact O-N 3.41Å; L117-L121 HydrophobicContact CD1-CD1 4.46Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.33Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 2.93Å
118L98.8Very high97.6Very high0 Ų052.8 Ų52.80%030%0.295CS..Hα-helixtrans-58.6-41.6174.4-75.9171000111.5F63 A70 A79 L82 I114 L115 L121 G122F63-L118 HydrophobicContact CD2-CD1 4.25Å; F63-L118 HydrophobicContact CE2-CD1 4.18Å; A70-L118 HydrophobicContact CB-CD2 3.83Å; A79-L118 HydrophobicContact CB-CD2 4.22Å; L82-L118 HydrophobicContact CB-CD2 3.85Å; L82-L118 HydrophobicContact CB-CG 4.14Å; L82-L118 HydrophobicContact CD1-CD2 3.88Å; L82-L118 HydrophobicContact CD1-CG 4.25Å; I114-L118 HydrophobicContact CG2-CD1 4.18Å; I114-L118 HydrophobicContact CG2-CG 4.48Å; I114-L118 WeakPolarHBondContact O-CG 3.4Å; I114-L118 PolarHBondContact O-N 2.9Å; L115-L118 PolarHBondContact O-N 3.09Å; L118-L121 PolarHBondContact O-N 3.03Å; L118-G122 PolarHBondContact O-N 3.27Å
119T98.8Very high97.3Very high62 Ų6252.7 Ų52.738%0.3830%0.301SS..Hα-helixtrans-59.4-50.7174.2-57.60000111.1T66 L115 A116 L117 L121 G122 T123T66-T119 VanDerWaalsContact CG2-OG1 3.26Å; T66-T119 WeakPolarHBondContact CG2-OG1 3.26Å; L115-T119 PolarHBondContact O-N 3.48Å; L115-T119 PolarHBondContact O-OG1 3.1Å; A116-T119 WeakPolarHBondContact O-CB 3.44Å; A116-T119 PolarHBondContact O-N 3.45Å; L117-T119 VanDerWaalsContact C-N 3.29Å; L117-T119 PolarHBondContact O-N 3.48Å; T119-L121 PolarHBondContact O-N 3.36Å; T119-G122 PolarHBondContact O-N 2.94Å; T119-T123 WeakPolarHBondContact O-CB 3.48Å; T119-T123 PolarHBondContact O-N 3.45Å; T119-T123 PolarHBondContact O-OG1 2.88Å
120V98.6Very high97Very high78 Ų7849.4 Ų49.447%0.47329%0.292SS..Hα-helixtrans-58.9-46.7179.3168.60000111.1A116 L117 T123 L124A116-V120 WeakPolarHBondContact O-CG2 3.35Å; A116-V120 PolarHBondContact O-N 3.1Å; L117-V120 PolarHBondContact O-N 3.41Å; V120-T123 PolarHBondContact O-N 3.48Å; V120-L124 HydrophobicContact CG1-CD1 3.79Å; V120-L124 HydrophobicContact CG1-CG 4.3Å; V120-L124 WeakPolarHBondContact O-CB 3.25Å; V120-L124 VanDerWaalsContact O-CG 3.25Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 3.43Å
121L97.7Very high96.7Very high22 Ų2248.7 Ų48.712%0.11529%0.288CS..Hα-helixtrans-62.7-44.9178.5-66.1-177.7000111.8A70 F74 L82 L117 L118 T119 L124 G125A70-L121 HydrophobicContact CB-CB 4.12Å; F74-L121 HydrophobicContact CB-CB 4.32Å; F74-L121 WeakPolarHBondContact CB-O 3.16Å; F74-L121 HydrophobicContact CD1-CB 4.13Å; F74-L121 HydrophobicContact CD1-CD1 4.2Å; F74-L121 HydrophobicContact CD1-CD2 3.97Å; F74-L121 HydrophobicContact CD1-CG 4.31Å; F74-L121 HydrophobicContact CD2-CD2 4.27Å; F74-L121 HydrophobicContact CE1-CD1 4.27Å; F74-L121 HydrophobicContact CE1-CD2 3.66Å; F74-L121 HydrophobicContact CE1-CG 4.4Å; F74-L121 HydrophobicContact CE2-CD2 3.97Å; F74-L121 HydrophobicContact CG-CB 4.07Å; F74-L121 HydrophobicContact CG-CD2 4.28Å; F74-L121 HydrophobicContact CZ-CD2 3.66Å; L82-L121 HydrophobicContact CD1-CD1 3.67Å; L117-L121 HydrophobicContact CD1-CD1 4.46Å; L117-L121 HydrophobicContact CD1-CG 4.2Å; L117-L121 HydrophobicContact CG-CD1 4.33Å; L117-L121 HydrophobicContact CG-CG 4.47Å; L117-L121 VanDerWaalsContact O-CG 3.3Å; L117-L121 WeakPolarHBondContact O-CG 3.44Å; L117-L121 PolarHBondContact O-N 2.93Å; L118-L121 PolarHBondContact O-N 3.03Å; T119-L121 PolarHBondContact O-N 3.36Å; L121-L124 PolarHBondContact O-N 2.94Å; L121-G125 PolarHBondContact O-N 3.22Å
122G97.7Very high96.1Very high3 Ų351.9 Ų51.93%0.03131%0.305CS..Hα-helixtrans-60.1-46.9175.700000112.3L118 T119 G125 I126L118-G122 PolarHBondContact O-N 3.27Å; T119-G122 PolarHBondContact O-N 2.94Å; G122-G125 PolarHBondContact O-N 2.94Å; G122-I126 WeakPolarHBondContact O-CB 3.39Å; G122-I126 WeakPolarHBondContact O-CD1 3.42Å; G122-I126 VanDerWaalsContact O-CG1 3.25Å; G122-I126 WeakPolarHBondContact O-CG1 3.23Å; G122-I126 PolarHBondContact O-N 3.39Å
123T98.2Very high95.7Very high85 Ų8555.5 Ų55.552%0.52132%0.32SS..Hα-helixtrans-62.7-44.5177.7-60.30000112T119 V120 I126 A127T119-T123 WeakPolarHBondContact O-CB 3.48Å; T119-T123 PolarHBondContact O-N 3.45Å; T119-T123 PolarHBondContact O-OG1 2.88Å; V120-T123 PolarHBondContact O-N 3.48Å; T123-I126 PolarHBondContact O-N 3.02Å; T123-A127 VanDerWaalsContact O-CB 3.26Å; T123-A127 WeakPolarHBondContact O-CB 3.44Å; T123-A127 PolarHBondContact O-N 3Å
124L96.5Very high95.3Very high97 Ų9760.6 Ų60.651%0.50833%0.328SS..Hα-helixtrans-62.5-43177-73.3173.3000111.8V120 L121 N128V120-L124 HydrophobicContact CG1-CD1 3.79Å; V120-L124 HydrophobicContact CG1-CG 4.3Å; V120-L124 WeakPolarHBondContact O-CB 3.25Å; V120-L124 VanDerWaalsContact O-CG 3.25Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 3.43Å; L121-L124 PolarHBondContact O-N 2.94Å; L124-N128 WeakPolarHBondContact O-CB 3.46Å; L124-N128 PolarHBondContact O-N 2.92Å
125G95.2Very high94.7Very high3 Ų364.2 Ų64.23%0.03135%0.346CS..Hα-helixtrans-60.3-50.917600000112Y73 L121 G122 A127 N128 S129Y73-G125 WeakPolarHBondContact O-CA 3.41Å; L121-G125 PolarHBondContact O-N 3.22Å; G122-G125 PolarHBondContact O-N 2.94Å; G125-A127 PolarHBondContact O-N 3.46Å; G125-N128 PolarHBondContact O-N 2.94Å; G125-S129 PolarHBondContact O-N 3.25Å; G125-S129 PolarHBondContact O-OG 3.36Å
126I96.2Very high93.7Very high70 Ų7071 Ų7136%0.35938%0.382SS..Hα-helixtrans-61.6-45.5179.1-68.1164.2000110.9M69 Y73 G122 T123 N128 S129 F130M69-I126 HydrophobicContact CB-CD1 4.34Å; M69-I126 HydrophobicContact CG-CD1 4.38Å; M69-I126 HydrophobicContact SD-CD1 4.17Å; Y73-I126 HydrophobicContact CD1-CG1 3.87Å; Y73-I126 HydrophobicContact CD2-CD1 4.27Å; Y73-I126 HydrophobicContact CD2-CG1 3.68Å; Y73-I126 HydrophobicContact CE1-CG1 4.26Å; Y73-I126 HydrophobicContact CE2-CG1 4.09Å; Y73-I126 HydrophobicContact CG-CG1 3.56Å; G122-I126 WeakPolarHBondContact O-CB 3.39Å; G122-I126 WeakPolarHBondContact O-CD1 3.42Å; G122-I126 VanDerWaalsContact O-CG1 3.25Å; G122-I126 WeakPolarHBondContact O-CG1 3.23Å; G122-I126 PolarHBondContact O-N 3.39Å; T123-I126 PolarHBondContact O-N 3.02Å; I126-N128 VanDerWaalsContact C-N 3.33Å; I126-N128 PolarHBondContact O-N 2.9Å; I126-S129 PolarHBondContact O-N 3.35Å; I126-F130 WeakPolarHBondContact O-CB 3.24Å; I126-F130 PolarHBondContact O-N 3.39Å
127A95.3Very high92.4Very high44 Ų4472.1 Ų72.136%0.36438%0.38SS..Hα-helixtrans-60.8-43.6178.100000111.3T123 G125 F130 L131T123-A127 VanDerWaalsContact O-CB 3.26Å; T123-A127 WeakPolarHBondContact O-CB 3.44Å; T123-A127 PolarHBondContact O-N 3Å; G125-A127 PolarHBondContact O-N 3.46Å; A127-F130 PolarHBondContact O-N 3.25Å; A127-L131 VanDerWaalsContact O-CG 3.24Å; A127-L131 WeakPolarHBondContact O-CG 3.41Å; A127-L131 PolarHBondContact O-N 3.27Å
128N91.4Very high90.8Very high68 Ų6870.2 Ų70.236%0.36437%0.37SS..Hα-helixtrans-63.2-43.3176.6-176.876.1000111.9L124 G125 I126 F130 L131 D132L124-N128 WeakPolarHBondContact O-CB 3.46Å; L124-N128 PolarHBondContact O-N 2.92Å; G125-N128 PolarHBondContact O-N 2.94Å; I126-N128 VanDerWaalsContact C-N 3.33Å; I126-N128 PolarHBondContact O-N 2.9Å; N128-F130 VanDerWaalsContact C-N 3.33Å; N128-F130 PolarHBondContact O-N 3.01Å; N128-L131 PolarHBondContact O-N 2.98Å; N128-D132 PolarHBondContact O-N 3.12Å
129S91.1Very high89.2Confident49 Ų4973.7 Ų73.734%0.34339%0.391SS..Hα-helixtrans-61.6-40.8174.4-64.90000112.3G125 I126 D132 E133G125-S129 PolarHBondContact O-N 3.25Å; G125-S129 PolarHBondContact O-OG 3.36Å; I126-S129 PolarHBondContact O-N 3.35Å; S129-D132 PolarHBondContact O-N 3.22Å; S129-E133 WeakPolarHBondContact O-CB 3.48Å; S129-E133 PolarHBondContact O-N 3.27Å
130F93.1Very high87.3Confident111 Ų11173.2 Ų73.249%0.48739%0.394SS..Hα-helixtrans-64.6-43.5176.9-176.2-87000112.1I126 A127 N128 D132 E133 Y134I126-F130 WeakPolarHBondContact O-CB 3.24Å; I126-F130 PolarHBondContact O-N 3.39Å; A127-F130 PolarHBondContact O-N 3.25Å; N128-F130 VanDerWaalsContact C-N 3.33Å; N128-F130 PolarHBondContact O-N 3.01Å; F130-D132 VanDerWaalsContact C-N 3.33Å; F130-D132 PolarHBondContact O-N 3.04Å; F130-E133 PolarHBondContact O-N 3.49Å; F130-Y134 HydrophobicContact CD1-CD2 4.27Å; F130-Y134 AromaticContact CD2-CD2 3.33Å; F130-Y134 HydrophobicContact CD2-CD2 3.33Å; F130-Y134 AromaticContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CG 4.43Å; F130-Y134 HydrophobicContact CE1-CD2 4.3Å; F130-Y134 AromaticContact CE2-CD2 3.37Å; F130-Y134 HydrophobicContact CE2-CD2 3.37Å; F130-Y134 AromaticContact CE2-CE2 3.64Å; F130-Y134 HydrophobicContact CE2-CE2 3.64Å; F130-Y134 HydrophobicContact CE2-CG 4.14Å; F130-Y134 AromaticContact CG-CD2 3.81Å; F130-Y134 HydrophobicContact CG-CD2 3.81Å; F130-Y134 HydrophobicContact CG-CE2 4.36Å; F130-Y134 AromaticContact CZ-CD2 3.88Å; F130-Y134 HydrophobicContact CZ-CD2 3.88Å; F130-Y134 HydrophobicContact CZ-CG 4.26Å; F130-Y134 WeakPolarHBondContact O-CB 3.36Å; F130-Y134 WeakPolarHBondContact O-CD2 3.35Å; F130-Y134 PolarHBondContact O-N 3.45Å
131L92Very high85.3Confident50 Ų5076.4 Ų76.426%0.26240%0.401SS..Hα-helixtrans-64.8-37178.1-69.2173.2000112.5A127 N128 M135 D136 L137A127-L131 VanDerWaalsContact O-CG 3.24Å; A127-L131 WeakPolarHBondContact O-CG 3.41Å; A127-L131 PolarHBondContact O-N 3.27Å; N128-L131 PolarHBondContact O-N 2.98Å; L131-M135 HydrophobicContact CD2-CE 3.26Å; L131-M135 HydrophobicContact CD2-SD 3.56Å; L131-M135 VanDerWaalsContact CD2-SD 3.56Å; L131-M135 CarbonylContact O-C 3.53Å; L131-M135 WeakPolarHBondContact O-CA 3.42Å; L131-M135 WeakPolarHBondContact O-CB 3.49Å; L131-M135 PolarHBondContact O-N 3.38Å; L131-D136 PolarHBondContact O-N 3.48Å; L131-L137 PolarHBondContact O-N 3.28Å
132D85.9Confident83.3Confident67 Ų6781.8 Ų81.836%0.35842%0.424SS..Hα-helixtrans-69.5-44.7177-16142.3000111.1N128 S129 F130 N138N128-D132 PolarHBondContact O-N 3.12Å; S129-D132 PolarHBondContact O-N 3.22Å; F130-D132 VanDerWaalsContact C-N 3.33Å; F130-D132 PolarHBondContact O-N 3.04Å; D132-N138 WeakPolarHBondContact OD1-CB 3.48Å; D132-N138 VanDerWaalsContact OD1-CG 3.27Å; D132-N138 PolarHBondContact OD1-ND2 3.28Å
133E89Confident81.3Confident143 Ų14388 Ų8867%0.66846%0.455SS*.Hα-helixtrans-74-40.5-175.6-170.268.6-165.300113.4S129 F130S129-E133 WeakPolarHBondContact O-CB 3.48Å; S129-E133 PolarHBondContact O-N 3.27Å; F130-E133 PolarHBondContact O-N 3.49Å
134Y91.5Very high79.1Confident165 Ų16594.6 Ų94.665%0.64747%0.471SS*.Hα-helixtrans-109.1-16.4-169-63.3-72.5000114.8F130F130-Y134 HydrophobicContact CD1-CD2 4.27Å; F130-Y134 AromaticContact CD2-CD2 3.33Å; F130-Y134 HydrophobicContact CD2-CD2 3.33Å; F130-Y134 AromaticContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CE2 3.54Å; F130-Y134 HydrophobicContact CD2-CG 4.43Å; F130-Y134 HydrophobicContact CE1-CD2 4.3Å; F130-Y134 AromaticContact CE2-CD2 3.37Å; F130-Y134 HydrophobicContact CE2-CD2 3.37Å; F130-Y134 AromaticContact CE2-CE2 3.64Å; F130-Y134 HydrophobicContact CE2-CE2 3.64Å; F130-Y134 HydrophobicContact CE2-CG 4.14Å; F130-Y134 AromaticContact CG-CD2 3.81Å; F130-Y134 HydrophobicContact CG-CD2 3.81Å; F130-Y134 HydrophobicContact CG-CE2 4.36Å; F130-Y134 AromaticContact CZ-CD2 3.88Å; F130-Y134 HydrophobicContact CZ-CD2 3.88Å; F130-Y134 HydrophobicContact CZ-CG 4.26Å; F130-Y134 WeakPolarHBondContact O-CB 3.36Å; F130-Y134 WeakPolarHBondContact O-CD2 3.35Å; F130-Y134 PolarHBondContact O-N 3.45Å
135M85.1Confident76.9Confident92 Ų92100.6 Ų100.645%0.45349%0.487SS..Hα-helixtrans-124.70.7-173.4-67.9175.132.700113.6L131 L137L131-M135 HydrophobicContact CD2-CE 3.26Å; L131-M135 HydrophobicContact CD2-SD 3.56Å; L131-M135 VanDerWaalsContact CD2-SD 3.56Å; L131-M135 CarbonylContact O-C 3.53Å; L131-M135 WeakPolarHBondContact O-CA 3.42Å; L131-M135 WeakPolarHBondContact O-CB 3.49Å; L131-M135 PolarHBondContact O-N 3.38Å; M135-L137 HydrophobicContact CB-CB 4.29Å; M135-L137 HydrophobicContact CB-CD1 4.24Å; M135-L137 HydrophobicContact CB-CG 4.38Å; M135-L137 HydrophobicContact CE-CD1 3.4Å; M135-L137 WeakPolarHBondContact O-CG 3.38Å; M135-L137 PolarHBondContact O-N 2.93Å
136D78.8Confident74.6Confident151 Ų151112 Ų11281%0.80754%0.536SS*.  trans5019.6-173.3-79.6-43.9000113.6L131 N138L131-D136 PolarHBondContact O-N 3.48Å; D136-N138 PolarHBondContact O-N 2.86Å
137L71.4Confident73.5Confident80 Ų80114.1 Ų114.142%0.41955%0.545SS..  trans-95.576.5-175.7-81.9173000109.2L131 M135 V139L131-L137 PolarHBondContact O-N 3.28Å; M135-L137 HydrophobicContact CB-CB 4.29Å; M135-L137 HydrophobicContact CB-CD1 4.24Å; M135-L137 HydrophobicContact CB-CG 4.38Å; M135-L137 HydrophobicContact CE-CD1 3.4Å; M135-L137 WeakPolarHBondContact O-CG 3.38Å; M135-L137 PolarHBondContact O-N 2.93Å; L137-V139 PolarHBondContact O-N 2.72Å
138N65.6Low72.3Confident35 Ų35117.8 Ų117.819%0.18755%0.554CS.*  trans-79.187.2177.2-160.8-47.1000110.6D132 D136 A140 K141 K142D132-N138 WeakPolarHBondContact OD1-CB 3.48Å; D132-N138 VanDerWaalsContact OD1-CG 3.27Å; D132-N138 PolarHBondContact OD1-ND2 3.28Å; D136-N138 PolarHBondContact O-N 2.86Å; N138-A140 PolarHBondContact O-N 3.39Å; N138-K141 HydrophobicContact CB-CB 3.98Å; N138-K141 HydrophobicContact CB-CD 4.07Å; N138-K141 HydrophobicContact CB-CG 4.25Å; N138-K141 PolarHBondContact O-N 3.01Å; N138-K141 VanDerWaalsContact O-N 3.12Å; N138-K141 PolarHBondContact OD1-N 3.34Å; N138-K142 PolarHBondContact O-N 2.92Å
139V63.8Low71.3Confident72 Ų72120.6 Ų120.644%0.43657%0.565SS.*Hα-helixtrans-54.4-37.2-179178.80000111.3L137 K142 L143L137-V139 PolarHBondContact O-N 2.72Å; V139-K142 PolarHBondContact O-N 3.2Å; V139-L143 HydrophobicContact CG1-CD1 4.05Å; V139-L143 PolarHBondContact O-N 2.97Å; V139-L143 VanDerWaalsContact O-N 3.09Å
140A59.7Low70.1Confident53 Ų53124.8 Ų124.844%0.43858%0.578SS.*Hα-helixtrans-70.5-38.2178.200000113.6N138 K142 R144N138-A140 PolarHBondContact O-N 3.39Å; A140-K142 VanDerWaalsContact C-N 3.33Å; A140-R144 PolarHBondContact O-N 3.44Å
141K56.2Low68.7Low145 Ų145125.6 Ų125.663%0.6358%0.584SS**Hα-helixtrans-68.2-32.6172-81.1179-179.11640112.2N138N138-K141 HydrophobicContact CB-CB 3.98Å; N138-K141 HydrophobicContact CB-CD 4.07Å; N138-K141 HydrophobicContact CB-CG 4.25Å; N138-K141 PolarHBondContact O-N 3.01Å; N138-K141 VanDerWaalsContact O-N 3.12Å; N138-K141 PolarHBondContact OD1-N 3.34Å
142K55.4Low67.1Low135 Ų135130.7 Ų130.759%0.58761%0.605SS**Hα-helixtrans-74.2-34.5-178.7-145.8172.1-173.4179.40112.4N138 V139 A140 R145N138-K142 PolarHBondContact O-N 2.92Å; V139-K142 PolarHBondContact O-N 3.2Å; A140-K142 VanDerWaalsContact C-N 3.33Å; K142-R145 PolarHBondContact O-N 3.22Å
143L55.7Low65.8Low132 Ų132135.2 Ų135.269%0.69162%0.623SS**Hα-helixtrans-72.4-27.7174.3-90.3153.8000114.2V139 R145V139-L143 HydrophobicContact CG1-CD1 4.05Å; V139-L143 PolarHBondContact O-N 2.97Å; V139-L143 VanDerWaalsContact O-N 3.09Å; L143-R145 VanDerWaalsContact C-N 3.32Å
144R51.9Low64Low224 Ų224134.6 Ų134.685%0.84562%0.619SS**THydrogen-bonded Turntrans-81.9-5.2174.8-78.9-174.6179.9-177.11114.6A140A140-R144 PolarHBondContact O-N 3.44Å
145R50.6Low61.7Low224 Ų224132.1 Ų132.185%0.84562%0.617SS**THydrogen-bonded Turntrans-95.9-2-178.4-94.5-175.8171.5-177.3-1.5113.9K142 L143K142-R145 PolarHBondContact O-N 3.22Å; L143-R145 VanDerWaalsContact C-N 3.32Å
146F46.2Very low59.6Low242 Ų242135.7 Ų135.7100%1.06163%0.632SS**  trans-106.20166.6-70.1-82.7000108.8

Retrieved 146 of 146 residues in 74.2 ms (Link to these results)

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