G4LYA6_SCHMA Loading...

Ankyrin repeat-containing, putative

AlphaFold DB , UniProt , Accession G4LYA6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 418 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
1M45.5Very low84.3Confident245 Ų245101.4 Ų101.4100%1.20745%0.452SS*.  0118.60-78.8173.2-173.600107.9Y3M1-Y3 PolarHBondContact O-N 3.49Å
2R62.9Low84.9Confident239 Ų23997.2 Ų97.290%0.90244%0.436SS*.  trans-65.2132.1166.7-82.3-176.3176.7179.3-0.3107.7I4R2-I4 PolarHBondContact O-N 2.78Å
3Y79.4Confident85.7Confident207 Ų20789.9 Ų89.981%0.81240%0.404SS*.  trans-68.2112.8172-177.3-94.6000107.9M1M1-Y3 PolarHBondContact O-N 3.49Å
4I85Confident86.3Confident78 Ų7883.6 Ų83.640%0.438%0.376SS..  trans-81.8121.2176.4-57.7177.8000107.2R2 E8 Q9 I12R2-I4 PolarHBondContact O-N 2.78Å; I4-E8 HydrophobicContact CG2-CB 3.37Å; I4-E8 HydrophobicContact CG2-CG 4.45Å; I4-Q9 HydrophobicContact CB-CG 4.29Å; I4-Q9 HydrophobicContact CG2-CG 3.79Å; I4-Q9 PolarHBondContact O-NE2 3.22Å; I4-I12 HydrophobicContact CD1-CD1 4.46Å; I4-I12 HydrophobicContact CG2-CD1 4.31Å
5S91.4Very high86.7Confident36 Ų3681.1 Ų81.125%0.25237%0.372SS..  trans-59.8156.8178.168.70000111.5Q7 E8 Q9S5-Q7 PolarHBondContact O-N 2.81Å; S5-Q7 VanDerWaalsContact O-N 3.14Å; S5-E8 WeakPolarHBondContact CB-OE2 3.34Å; S5-E8 PolarHBondContact N-OE2 2.91Å; S5-E8 PolarHBondContact O-N 3.03Å; S5-E8 VanDerWaalsContact OG-CG 3.3Å; S5-E8 WeakPolarHBondContact OG-CG 3.38Å; S5-E8 PolarHBondContact OG-N 2.94Å; S5-E8 PolarHBondContact OG-OE2 3.41Å; S5-Q9 WeakPolarHBondContact O-CG 3.39Å; S5-Q9 PolarHBondContact O-N 2.94Å
6K93.7Very high87.1Confident97 Ų9784.7 Ų84.742%0.42239%0.387SS..Hα-helixtrans-57.2-29.4174.665.8172.1-178.1169.90112.8F10 G29 V30K6-F10 WeakPolarHBondContact O-CB 3.39Å; K6-F10 PolarHBondContact O-N 2.72Å; K6-G29 PolarHBondContact NZ-O 2.82Å; K6-V30 HydrophobicContact CG-CG2 4.46Å
7Q94.8Very high87.5Confident28 Ų2880.2 Ų80.213%0.13137%0.37CS..Hα-helixtrans-69.5-47.5178.4-54.7-62.22.200111.2S5 Q9 F10 W11 D31 W34S5-Q7 PolarHBondContact O-N 2.81Å; S5-Q7 VanDerWaalsContact O-N 3.14Å; Q7-Q9 VanDerWaalsContact C-N 3.35Å; Q7-Q9 PolarHBondContact O-N 3.17Å; Q7-F10 WeakPolarHBondContact O-CB 3.3Å; Q7-F10 PolarHBondContact O-N 3.18Å; Q7-W11 PolarHBondContact O-N 3.14Å; Q7-D31 VanDerWaalsContact NE2-CB 3.34Å; Q7-D31 PolarHBondContact OE1-O 3.27Å; Q7-W34 HydrophobicContact CB-CB 4.45Å; Q7-W34 HydrophobicContact CB-CD2 3.51Å; Q7-W34 HydrophobicContact CB-CE3 3.79Å; Q7-W34 HydrophobicContact CB-CG 3.81Å; Q7-W34 HydrophobicContact CB-CH2 4.38Å; Q7-W34 HydrophobicContact CB-CZ2 4.18Å; Q7-W34 HydrophobicContact CB-CZ3 4.2Å; Q7-W34 HydrophobicContact CG-CB 4.34Å; Q7-W34 HydrophobicContact CG-CD2 4.03Å; Q7-W34 HydrophobicContact CG-CG 3.8Å
8E92.5Very high87.9Confident76 Ų7684.3 Ų84.336%0.35538%0.381SS..Hα-helixtrans-65.4-38.6175.4-69.6161.7140.500111.4I4 S5 F10 W11 I12 W34I4-E8 HydrophobicContact CG2-CB 3.37Å; I4-E8 HydrophobicContact CG2-CG 4.45Å; S5-E8 WeakPolarHBondContact CB-OE2 3.34Å; S5-E8 PolarHBondContact N-OE2 2.91Å; S5-E8 PolarHBondContact O-N 3.03Å; S5-E8 VanDerWaalsContact OG-CG 3.3Å; S5-E8 WeakPolarHBondContact OG-CG 3.38Å; S5-E8 PolarHBondContact OG-N 2.94Å; S5-E8 PolarHBondContact OG-OE2 3.41Å; E8-F10 VanDerWaalsContact C-N 3.26Å; E8-F10 PolarHBondContact O-N 3.24Å; E8-W11 PolarHBondContact O-N 3.1Å; E8-I12 WeakPolarHBondContact O-CB 3.44Å; E8-I12 WeakPolarHBondContact O-CD1 3.44Å; E8-I12 WeakPolarHBondContact O-CG1 3.34Å; E8-I12 PolarHBondContact O-N 2.98Å; E8-W34 HydrophobicContact CG-CH2 4.04Å
9Q94.2Very high88.4Confident87 Ų8784.4 Ų84.441%0.40738%0.383SS..Hα-helixtrans-59.6-38.7173.1-69.21773600111.9I4 S5 Q7 A13 L25I4-Q9 HydrophobicContact CB-CG 4.29Å; I4-Q9 HydrophobicContact CG2-CG 3.79Å; I4-Q9 PolarHBondContact O-NE2 3.22Å; S5-Q9 WeakPolarHBondContact O-CG 3.39Å; S5-Q9 PolarHBondContact O-N 2.94Å; Q7-Q9 VanDerWaalsContact C-N 3.35Å; Q7-Q9 PolarHBondContact O-N 3.17Å; Q9-A13 WeakPolarHBondContact O-CB 3.49Å; Q9-A13 PolarHBondContact O-N 3.39Å; Q9-L25 HydrophobicContact CB-CD1 4.05Å; Q9-L25 HydrophobicContact CB-CD2 4.46Å
10F95.6Very high88.9Confident0 Ų082.2 Ų82.20%038%0.384CS..Hα-helixtrans-70-45.1177.4176.8-115.8000111.8K6 Q7 E8 I12 A13 C14 A22 L25 I26 V30 V32 P43 V58K6-F10 WeakPolarHBondContact O-CB 3.39Å; K6-F10 PolarHBondContact O-N 2.72Å; Q7-F10 WeakPolarHBondContact O-CB 3.3Å; Q7-F10 PolarHBondContact O-N 3.18Å; E8-F10 VanDerWaalsContact C-N 3.26Å; E8-F10 PolarHBondContact O-N 3.24Å; F10-I12 VanDerWaalsContact C-N 3.32Å; F10-I12 PolarHBondContact O-N 2.96Å; F10-A13 WeakPolarHBondContact O-CB 3.21Å; F10-A13 PolarHBondContact O-N 3.37Å; F10-A13 VanDerWaalsContact O-N 3.09Å; F10-C14 PolarHBondContact O-N 2.92Å; F10-C14 PolarHBondContact O-SG 2.9Å; F10-C14 VanDerWaalsContact O-SG 3.4Å; F10-A22 HydrophobicContact CD2-CB 4.48Å; F10-A22 HydrophobicContact CE2-CB 4.18Å; F10-L25 HydrophobicContact CB-CB 4.27Å; F10-L25 HydrophobicContact CB-CD1 3.96Å; F10-L25 HydrophobicContact CD2-CB 3.94Å; F10-L25 HydrophobicContact CD2-CD1 4.44Å; F10-I26 HydrophobicContact CD2-CG1 4.46Å; F10-I26 HydrophobicContact CE2-CD1 3.86Å; F10-I26 HydrophobicContact CE2-CG1 3.59Å; F10-I26 HydrophobicContact CZ-CD1 4.09Å; F10-I26 HydrophobicContact CZ-CG1 3.93Å; F10-V30 HydrophobicContact CB-CB 4.41Å; F10-V30 HydrophobicContact CB-CG1 4.21Å; F10-V30 HydrophobicContact CB-CG2 3.61Å; F10-V30 HydrophobicContact CD1-CG1 3.88Å; F10-V30 HydrophobicContact CD1-CG2 4.12Å; F10-V30 HydrophobicContact CD2-CG1 3.83Å; F10-V30 HydrophobicContact CE1-CG1 4.16Å; F10-V30 HydrophobicContact CE2-CG1 4.12Å; F10-V30 HydrophobicContact CG-CB 4.41Å; F10-V30 HydrophobicContact CG-CG1 3.7Å; F10-V30 HydrophobicContact CG-CG2 3.93Å; F10-V30 HydrophobicContact CZ-CG1 4.27Å; F10-V32 HydrophobicContact CE1-CB 4.35Å; F10-V32 HydrophobicContact CE1-CG1 4.01Å; F10-V32 HydrophobicContact CZ-CG1 3.92Å; F10-P43 HydrophobicContact CD1-CB 4.28Å; F10-P43 HydrophobicContact CD1-CG 4.02Å; F10-P43 HydrophobicContact CE1-CB 3.71Å; F10-P43 HydrophobicContact CE1-CG 3.82Å; F10-V58 HydrophobicContact CE2-CG2 4.48Å; F10-V58 HydrophobicContact CZ-CG2 3.73Å
11W92.3Very high89.3Confident22 Ų2279.3 Ų79.38%0.08337%0.374CS..Hα-helixtrans-56-46.8173.5-172.396.2000111.6Q7 E8 A13 C14 S15 Y39Q7-W11 PolarHBondContact O-N 3.14Å; E8-W11 PolarHBondContact O-N 3.1Å; W11-A13 VanDerWaalsContact C-N 3.34Å; W11-A13 PolarHBondContact O-N 3.33Å; W11-C14 WeakPolarHBondContact O-CB 3.39Å; W11-C14 PolarHBondContact O-N 2.69Å; W11-S15 WeakPolarHBondContact O-CB 3.43Å; W11-S15 PolarHBondContact O-N 3.2Å; W11-Y39 AromaticContact CD2-CD2 3.62Å; W11-Y39 HydrophobicContact CD2-CD2 3.62Å; W11-Y39 AromaticContact CD2-CE2 3.63Å; W11-Y39 HydrophobicContact CD2-CE2 3.63Å; W11-Y39 AromaticContact CE2-CD2 3.24Å; W11-Y39 AromaticContact CE2-CE2 3.67Å; W11-Y39 AromaticContact CE2-CG 3.84Å; W11-Y39 AromaticContact CE3-CD2 3.92Å; W11-Y39 HydrophobicContact CE3-CD2 3.92Å; W11-Y39 AromaticContact CE3-CE2 3.42Å; W11-Y39 HydrophobicContact CE3-CE2 3.42Å; W11-Y39 VanDerWaalsContact CE3-CE2 3.42Å; W11-Y39 HydrophobicContact CG-CD2 4.33Å; W11-Y39 AromaticContact CH2-CD1 3.98Å; W11-Y39 HydrophobicContact CH2-CD1 3.98Å; W11-Y39 AromaticContact CH2-CD2 3.63Å; W11-Y39 HydrophobicContact CH2-CD2 3.63Å; W11-Y39 AromaticContact CH2-CE1 3.72Å; W11-Y39 HydrophobicContact CH2-CE1 3.72Å; W11-Y39 AromaticContact CH2-CE2 3.39Å; W11-Y39 HydrophobicContact CH2-CE2 3.39Å; W11-Y39 AromaticContact CH2-CG 3.93Å; W11-Y39 HydrophobicContact CH2-CG 3.93Å; W11-Y39 AromaticContact CH2-CZ 3.42Å; W11-Y39 VanDerWaalsContact CH2-CZ 3.42Å; W11-Y39 AromaticContact CZ2-CD1 3.9Å; W11-Y39 HydrophobicContact CZ2-CD1 3.9Å; W11-Y39 AromaticContact CZ2-CD2 3.27Å; W11-Y39 HydrophobicContact CZ2-CD2 3.27Å; W11-Y39 HydrophobicContact CZ2-CE1 4.13Å; W11-Y39 AromaticContact CZ2-CE2 3.58Å; W11-Y39 HydrophobicContact CZ2-CE2 3.58Å; W11-Y39 AromaticContact CZ2-CG 3.47Å; W11-Y39 HydrophobicContact CZ2-CG 3.47Å; W11-Y39 VanDerWaalsContact CZ2-CG 3.47Å; W11-Y39 AromaticContact CZ2-CZ 3.98Å; W11-Y39 AromaticContact CZ3-CD2 3.94Å; W11-Y39 HydrophobicContact CZ3-CD2 3.94Å; W11-Y39 HydrophobicContact CZ3-CE1 4.24Å; W11-Y39 AromaticContact CZ3-CE2 3.31Å; W11-Y39 HydrophobicContact CZ3-CE2 3.31Å; W11-Y39 AromaticContact CZ3-CZ 3.47Å; W11-Y39 VanDerWaalsContact CZ3-CZ 3.47Å; W11-Y39 AromaticContact NE1-CD2 3.73Å
12I92.1Very high91.7Very high51 Ų5167.6 Ų67.626%0.26232%0.317SS..Hα-helixtrans-60.6-43.5175.6-69.5166.3000110.5I4 E8 F10 C14 S15 F16I4-I12 HydrophobicContact CD1-CD1 4.46Å; I4-I12 HydrophobicContact CG2-CD1 4.31Å; E8-I12 WeakPolarHBondContact O-CB 3.44Å; E8-I12 WeakPolarHBondContact O-CD1 3.44Å; E8-I12 WeakPolarHBondContact O-CG1 3.34Å; E8-I12 PolarHBondContact O-N 2.98Å; F10-I12 VanDerWaalsContact C-N 3.32Å; F10-I12 PolarHBondContact O-N 2.96Å; I12-C14 VanDerWaalsContact C-N 3.31Å; I12-C14 PolarHBondContact O-N 3.3Å; I12-S15 PolarHBondContact O-N 2.95Å; I12-F16 HydrophobicContact CG2-CD2 3.67Å; I12-F16 HydrophobicContact CG2-CE2 3.98Å; I12-F16 VanDerWaalsContact O-CD2 3.32Å; I12-F16 WeakPolarHBondContact O-CD2 3.36Å; I12-F16 PolarHBondContact O-N 3.15Å
13A94.7Very high93.4Very high3 Ų361.5 Ų61.53%0.02530%0.297CS..Hα-helixtrans-61.8-40.1178.400000112.2Q9 F10 W11 G17 R18 A21 A22 L25Q9-A13 WeakPolarHBondContact O-CB 3.49Å; Q9-A13 PolarHBondContact O-N 3.39Å; F10-A13 WeakPolarHBondContact O-CB 3.21Å; F10-A13 PolarHBondContact O-N 3.37Å; F10-A13 VanDerWaalsContact O-N 3.09Å; W11-A13 VanDerWaalsContact C-N 3.34Å; W11-A13 PolarHBondContact O-N 3.33Å; A13-G17 PolarHBondContact O-N 3.25Å; A13-R18 HydrophobicContact CB-CB 4.3Å; A13-R18 PolarHBondContact O-N 2.96Å; A13-A21 HydrophobicContact CB-CB 3.93Å; A13-A22 HydrophobicContact CB-CB 4.11Å; A13-L25 HydrophobicContact CB-CD1 4.27Å
14C94.5Very high94.3Very high2 Ų259.3 Ų59.31%0.01429%0.287CS..Hα-helixtrans-65.1-50.5174.1-69.60000111.9F10 W11 I12 F16 G17 I46 C47 I54F10-C14 PolarHBondContact O-N 2.92Å; F10-C14 PolarHBondContact O-SG 2.9Å; F10-C14 VanDerWaalsContact O-SG 3.4Å; W11-C14 WeakPolarHBondContact O-CB 3.39Å; W11-C14 PolarHBondContact O-N 2.69Å; I12-C14 VanDerWaalsContact C-N 3.31Å; I12-C14 PolarHBondContact O-N 3.3Å; C14-F16 PolarHBondContact O-N 3.1Å; C14-G17 PolarHBondContact O-N 3.27Å; C14-I46 HydrophobicContact CB-CG2 4.03Å; C14-C47 VanDerWaalsContact CB-SG 3.59Å; C14-I54 HydrophobicContact CB-CG2 4.34Å
15S91.8Very high94.9Very high45 Ų4556.7 Ų56.732%0.31527%0.274SS..Hα-helixtrans-58.9-45.4-178.3175.70000113W11 I12 G17W11-S15 WeakPolarHBondContact O-CB 3.43Å; W11-S15 PolarHBondContact O-N 3.2Å; I12-S15 PolarHBondContact O-N 2.95Å; S15-G17 VanDerWaalsContact C-N 3.3Å; S15-G17 PolarHBondContact O-N 3.03Å
16F92.5Very high95.2Very high139 Ų13956.9 Ų56.961%0.6127%0.271SS*.THydrogen-bonded Turntrans-88.711.6-179.6-69.2-77.2000114I12 C14 R18I12-F16 HydrophobicContact CG2-CD2 3.67Å; I12-F16 HydrophobicContact CG2-CE2 3.98Å; I12-F16 VanDerWaalsContact O-CD2 3.32Å; I12-F16 WeakPolarHBondContact O-CD2 3.36Å; I12-F16 PolarHBondContact O-N 3.15Å; C14-F16 PolarHBondContact O-N 3.1Å; F16-R18 VanDerWaalsContact C-N 3.26Å; F16-R18 HydrophobicContact CB-CG 4.07Å; F16-R18 PolarHBondContact O-N 3.33Å
17G94Very high95.3Very high9 Ų958.6 Ų58.69%0.09328%0.281CS..THydrogen-bonded Turntrans64.227.8177.600000114.4A13 C14 S15 E19 K51 I54A13-G17 PolarHBondContact O-N 3.25Å; C14-G17 PolarHBondContact O-N 3.27Å; S15-G17 VanDerWaalsContact C-N 3.3Å; S15-G17 PolarHBondContact O-N 3.03Å; G17-E19 VanDerWaalsContact C-N 3.35Å; G17-E19 PolarHBondContact O-N 3.46Å; G17-E19 VanDerWaalsContact O-N 3.09Å; G17-K51 WeakPolarHBondContact O-CD 3.39Å; G17-K51 WeakPolarHBondContact O-CE 3.41Å; G17-K51 PolarHBondContact O-NZ 3.36Å; G17-I54 VanDerWaalsContact C-CD1 3.5Å
18R96Very high95.4Very high153 Ų15360.7 Ų60.758%0.57730%0.299SS*.  trans-85.473-178.3-60.2-175-179.1-171.81.1111A13 F16 G20 A21 A22A13-R18 HydrophobicContact CB-CB 4.3Å; A13-R18 PolarHBondContact O-N 2.96Å; F16-R18 VanDerWaalsContact C-N 3.26Å; F16-R18 HydrophobicContact CB-CG 4.07Å; F16-R18 PolarHBondContact O-N 3.33Å; R18-G20 PolarHBondContact O-N 3.3Å; R18-A21 HydrophobicContact CB-CB 4.01Å; R18-A21 PolarHBondContact O-N 3.19Å; R18-A22 PolarHBondContact O-N 2.84Å
19E96.9Very high95.5Very high87 Ų8759.3 Ų59.341%0.40731%0.305SS..Hα-helixtrans-50.5-49.8-175-173.7179.4147.800113.8G17 A21 A22 K23 S53 I54 M57G17-E19 VanDerWaalsContact C-N 3.35Å; G17-E19 PolarHBondContact O-N 3.46Å; G17-E19 VanDerWaalsContact O-N 3.09Å; E19-A21 VanDerWaalsContact C-N 3.28Å; E19-A21 PolarHBondContact O-N 2.95Å; E19-A22 PolarHBondContact O-N 2.95Å; E19-K23 WeakPolarHBondContact O-CB 3.04Å; E19-K23 PolarHBondContact O-N 3.01Å; E19-S53 VanDerWaalsContact CD-OG 3.27Å; E19-S53 VanDerWaalsContact OE2-CB 3.3Å; E19-S53 WeakPolarHBondContact OE2-CB 3.04Å; E19-S53 PolarHBondContact OE2-OG 3Å; E19-I54 HydrophobicContact CB-CD1 4.37Å; E19-I54 HydrophobicContact CB-CG1 4.13Å; E19-I54 HydrophobicContact CG-CG1 4.34Å; E19-M57 HydrophobicContact CG-SD 3.87Å
20G97.4Very high95.6Very high39 Ų3955.9 Ų55.940%0.40229%0.289SS..Hα-helixtrans-63.5-32-179.900000113.7R18 R24R18-G20 PolarHBondContact O-N 3.3Å; G20-R24 WeakPolarHBondContact O-CG 3.41Å; G20-R24 PolarHBondContact O-N 3.06Å; G20-R24 PolarHBondContact O-NH1 3.3Å
21A97.2Very high95.7Very high22 Ų2259.5 Ų59.518%0.18231%0.309CS..Hα-helixtrans-74.7-44.7175.200000111.1A13 R18 E19 K23 R24 L25A13-A21 HydrophobicContact CB-CB 3.93Å; R18-A21 HydrophobicContact CB-CB 4.01Å; R18-A21 PolarHBondContact O-N 3.19Å; E19-A21 VanDerWaalsContact C-N 3.28Å; E19-A21 PolarHBondContact O-N 2.95Å; A21-K23 VanDerWaalsContact C-N 3.27Å; A21-K23 PolarHBondContact O-N 2.86Å; A21-R24 PolarHBondContact O-N 3.41Å; A21-L25 WeakPolarHBondContact O-CG 3.49Å; A21-L25 PolarHBondContact O-N 3.48Å
22A97.2Very high95.9Very high0 Ų058.9 Ų58.90%031%0.308CS..Hα-helixtrans-56.8-43.1175.200000111.1F10 A13 R18 E19 L25 I26 I54 M57F10-A22 HydrophobicContact CD2-CB 4.48Å; F10-A22 HydrophobicContact CE2-CB 4.18Å; A13-A22 HydrophobicContact CB-CB 4.11Å; R18-A22 PolarHBondContact O-N 2.84Å; E19-A22 PolarHBondContact O-N 2.95Å; A22-L25 PolarHBondContact O-N 3.16Å; A22-I26 WeakPolarHBondContact O-CG1 3.21Å; A22-I26 PolarHBondContact O-N 3.43Å; A22-I54 HydrophobicContact CB-CG2 4.36Å; A22-M57 HydrophobicContact CB-CE 4.15Å
23K98Very high96.2Very high111 Ų11159.3 Ų59.348%0.48331%0.311SS..Hα-helixtrans-59.8-52.4178.2-172.1176.5174.3179.70112.1E19 A21 L25 I26 E27 M57E19-K23 WeakPolarHBondContact O-CB 3.04Å; E19-K23 PolarHBondContact O-N 3.01Å; A21-K23 VanDerWaalsContact C-N 3.27Å; A21-K23 PolarHBondContact O-N 2.86Å; K23-L25 PolarHBondContact O-N 2.94Å; K23-I26 PolarHBondContact O-N 3.36Å; K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 WeakPolarHBondContact O-CG 3.47Å; K23-E27 PolarHBondContact O-N 3.45Å; K23-M57 HydrophobicContact CB-CE 3.45Å; K23-M57 VanDerWaalsContact CB-CE 3.45Å; K23-M57 HydrophobicContact CG-CE 4.11Å; K23-M57 VanDerWaalsContact N-CE 3.29Å
24R98.1Very high96.2Very high161 Ų16162.4 Ų62.461%0.60832%0.321SS*.Hα-helixtrans-59.8-36.1178.3-72.2-170.5-57.4-914.2112.3G20 A21 S28G20-R24 WeakPolarHBondContact O-CG 3.41Å; G20-R24 PolarHBondContact O-N 3.06Å; G20-R24 PolarHBondContact O-NH1 3.3Å; A21-R24 PolarHBondContact O-N 3.41Å; R24-S28 WeakPolarHBondContact O-CB 3.41Å; R24-S28 PolarHBondContact O-N 2.94Å
25L97.7Very high96.2Very high23 Ų2366 Ų6612%0.1234%0.335CS..Hα-helixtrans-71.4-40.8179.4-72.3165.3000111.8Q9 F10 A13 A21 A22 K23 S28 G29 V30Q9-L25 HydrophobicContact CB-CD1 4.05Å; Q9-L25 HydrophobicContact CB-CD2 4.46Å; F10-L25 HydrophobicContact CB-CB 4.27Å; F10-L25 HydrophobicContact CB-CD1 3.96Å; F10-L25 HydrophobicContact CD2-CB 3.94Å; F10-L25 HydrophobicContact CD2-CD1 4.44Å; A13-L25 HydrophobicContact CB-CD1 4.27Å; A21-L25 WeakPolarHBondContact O-CG 3.49Å; A21-L25 PolarHBondContact O-N 3.48Å; A22-L25 PolarHBondContact O-N 3.16Å; K23-L25 PolarHBondContact O-N 2.94Å; L25-S28 WeakPolarHBondContact CA-OG 3.27Å; L25-S28 PolarHBondContact O-N 3.07Å; L25-S28 PolarHBondContact O-OG 2.91Å; L25-G29 PolarHBondContact O-N 3.17Å; L25-V30 HydrophobicContact CB-CB 4.41Å; L25-V30 HydrophobicContact CB-CG1 4.29Å; L25-V30 WeakPolarHBondContact O-CB 3.48Å; L25-V30 WeakPolarHBondContact O-CG1 3.41Å; L25-V30 PolarHBondContact O-N 3.25Å; L25-V30 VanDerWaalsContact O-N 3.1Å
26I97.5Very high96Very high40 Ų4064 Ų6421%0.20532%0.321CS..Hα-helixtrans-59.1-48.6170.6-68.5169.6000110.7F10 A22 K23 S28 G29 V30 V32 M57 V58 A61F10-I26 HydrophobicContact CD2-CG1 4.46Å; F10-I26 HydrophobicContact CE2-CD1 3.86Å; F10-I26 HydrophobicContact CE2-CG1 3.59Å; F10-I26 HydrophobicContact CZ-CD1 4.09Å; F10-I26 HydrophobicContact CZ-CG1 3.93Å; A22-I26 WeakPolarHBondContact O-CG1 3.21Å; A22-I26 PolarHBondContact O-N 3.43Å; K23-I26 PolarHBondContact O-N 3.36Å; I26-S28 PolarHBondContact O-N 3.27Å; I26-G29 PolarHBondContact O-N 3.49Å; I26-V30 HydrophobicContact CG1-CG1 4.2Å; I26-V32 HydrophobicContact CG1-CG1 4.15Å; I26-M57 HydrophobicContact CD1-CB 4.04Å; I26-M57 HydrophobicContact CD1-CE 4.06Å; I26-V58 HydrophobicContact CD1-CG2 4.49Å; I26-A61 HydrophobicContact CD1-CB 4.32Å; I26-A61 HydrophobicContact CG2-CB 3.79Å
27E96.9Very high95.8Very high133 Ų13367.4 Ų67.462%0.62133%0.331SS*.Hα-helixtrans-60.9-29.5177.2-70.4168.6174.400112.7K23 G29K23-E27 WeakPolarHBondContact CE-OE1 3.48Å; K23-E27 WeakPolarHBondContact O-CG 3.47Å; K23-E27 PolarHBondContact O-N 3.45Å; E27-G29 PolarHBondContact O-N 3.38Å
28S96.3Very high95.4Very high72 Ų7272.1 Ų72.150%0.50336%0.358SS..THydrogen-bonded Turntrans-790.5175.178.50000114.7R24 L25 I26R24-S28 WeakPolarHBondContact O-CB 3.41Å; R24-S28 PolarHBondContact O-N 2.94Å; L25-S28 WeakPolarHBondContact CA-OG 3.27Å; L25-S28 PolarHBondContact O-N 3.07Å; L25-S28 PolarHBondContact O-OG 2.91Å; I26-S28 PolarHBondContact O-N 3.27Å
29G95.1Very high94.8Very high47 Ų4770.7 Ų70.749%0.48535%0.353SS..THydrogen-bonded Turntrans75.545.4-178.100000113K6 L25 I26 E27K6-G29 PolarHBondContact NZ-O 2.82Å; L25-G29 PolarHBondContact O-N 3.17Å; I26-G29 PolarHBondContact O-N 3.49Å; E27-G29 PolarHBondContact O-N 3.38Å
30V96.8Very high94.6Very high14 Ų1471 Ų719%0.08536%0.355CS..  trans-68.4150.3164.578.90000110.1K6 F10 L25 I26 V32K6-V30 HydrophobicContact CG-CG2 4.46Å; F10-V30 HydrophobicContact CB-CB 4.41Å; F10-V30 HydrophobicContact CB-CG1 4.21Å; F10-V30 HydrophobicContact CB-CG2 3.61Å; F10-V30 HydrophobicContact CD1-CG1 3.88Å; F10-V30 HydrophobicContact CD1-CG2 4.12Å; F10-V30 HydrophobicContact CD2-CG1 3.83Å; F10-V30 HydrophobicContact CE1-CG1 4.16Å; F10-V30 HydrophobicContact CE2-CG1 4.12Å; F10-V30 HydrophobicContact CG-CB 4.41Å; F10-V30 HydrophobicContact CG-CG1 3.7Å; F10-V30 HydrophobicContact CG-CG2 3.93Å; F10-V30 HydrophobicContact CZ-CG1 4.27Å; L25-V30 HydrophobicContact CB-CB 4.41Å; L25-V30 HydrophobicContact CB-CG1 4.29Å; L25-V30 WeakPolarHBondContact O-CB 3.48Å; L25-V30 WeakPolarHBondContact O-CG1 3.41Å; L25-V30 PolarHBondContact O-N 3.25Å; L25-V30 VanDerWaalsContact O-N 3.1Å; I26-V30 HydrophobicContact CG1-CG1 4.2Å; V30-V32 HydrophobicContact CG1-CG1 4.34Å; V30-V32 PolarHBondContact O-N 3.24Å
31D97Very high94.4Very high76 Ų7669.9 Ų69.941%0.40634%0.34SS..  trans-86.3106.7176.5177.39000108.4Q7 N33 W34Q7-D31 VanDerWaalsContact NE2-CB 3.34Å; Q7-D31 PolarHBondContact OE1-O 3.27Å; D31-N33 PolarHBondContact O-N 3.39Å; D31-N33 WeakPolarHBondContact OD1-CA 3.46Å; D31-N33 PolarHBondContact OD1-N 2.88Å; D31-W34 HydrophobicContact CB-CB 4.13Å; D31-W34 VanDerWaalsContact O-CB 3.27Å; D31-W34 WeakPolarHBondContact O-CB 3.32Å; D31-W34 PolarHBondContact O-N 3.09Å; D31-W34 VanDerWaalsContact O-N 3.15Å
32V97Very high94.4Very high10 Ų1071.7 Ų71.76%0.06134%0.343CS..THydrogen-bonded Turntrans-69.3-16.3-179.2-62.70000113.2F10 I26 V30 A61 A63F10-V32 HydrophobicContact CE1-CB 4.35Å; F10-V32 HydrophobicContact CE1-CG1 4.01Å; F10-V32 HydrophobicContact CZ-CG1 3.92Å; I26-V32 HydrophobicContact CG1-CG1 4.15Å; V30-V32 HydrophobicContact CG1-CG1 4.34Å; V30-V32 PolarHBondContact O-N 3.24Å; V32-A61 HydrophobicContact CG1-CB 3.73Å; V32-A61 HydrophobicContact CG2-CB 4.27Å; V32-A61 WeakPolarHBondContact CG2-O 3.36Å; V32-A63 HydrophobicContact CB-CB 4.41Å; V32-A63 HydrophobicContact CG2-CB 4.16Å
33N97.2Very high94.3Very high60 Ų6071.7 Ų71.732%0.32134%0.343SS..THydrogen-bonded Turntrans-100.214.1175.6-67.5-47.7000112.5D31 R35 Y42 G62 A63 D64D31-N33 PolarHBondContact O-N 3.39Å; D31-N33 WeakPolarHBondContact OD1-CA 3.46Å; D31-N33 PolarHBondContact OD1-N 2.88Å; N33-R35 PolarHBondContact O-N 3.4Å; N33-Y42 WeakPolarHBondContact O-CD1 3.5Å; N33-Y42 VanDerWaalsContact O-CE1 3.28Å; N33-Y42 WeakPolarHBondContact O-CE1 3.41Å; N33-G62 PolarHBondContact ND2-O 3.44Å; N33-A63 VanDerWaalsContact OD1-CA 3.29Å; N33-A63 WeakPolarHBondContact OD1-CA 3.38Å; N33-D64 PolarHBondContact OD1-N 2.92Å
34W94.7Very high94.3Very high67 Ų6766.5 Ų66.525%0.25432%0.32SS..PPolyproline II helixtrans-66.3124.4174179.279.8000110.9Q7 E8 D31 S36 P43Q7-W34 HydrophobicContact CB-CB 4.45Å; Q7-W34 HydrophobicContact CB-CD2 3.51Å; Q7-W34 HydrophobicContact CB-CE3 3.79Å; Q7-W34 HydrophobicContact CB-CG 3.81Å; Q7-W34 HydrophobicContact CB-CH2 4.38Å; Q7-W34 HydrophobicContact CB-CZ2 4.18Å; Q7-W34 HydrophobicContact CB-CZ3 4.2Å; Q7-W34 HydrophobicContact CG-CB 4.34Å; Q7-W34 HydrophobicContact CG-CD2 4.03Å; Q7-W34 HydrophobicContact CG-CG 3.8Å; E8-W34 HydrophobicContact CG-CH2 4.04Å; D31-W34 HydrophobicContact CB-CB 4.13Å; D31-W34 VanDerWaalsContact O-CB 3.27Å; D31-W34 WeakPolarHBondContact O-CB 3.32Å; D31-W34 PolarHBondContact O-N 3.09Å; D31-W34 VanDerWaalsContact O-N 3.15Å; W34-S36 VanDerWaalsContact CZ3-CA 3.49Å; W34-P43 WeakPolarHBondContact O-CD 3.16Å
35R94.4Very high94.2Very high79 Ų7958.8 Ų58.830%0.29829%0.291SS..PPolyproline II helixtrans-84.3125.9174-172.8177.2174.575.80.3110.4N33 Y37 E40 Y42 L68N33-R35 PolarHBondContact O-N 3.4Å; R35-Y37 PolarHBondContact O-N 3.37Å; R35-E40 VanDerWaalsContact CZ-C 3.46Å; R35-E40 PolarHBondContact NH1-O 3.44Å; R35-E40 VanDerWaalsContact NH1-O 3.1Å; R35-E40 VanDerWaalsContact NH2-C 3.29Å; R35-E40 PolarHBondContact NH2-O 2.99Å; R35-Y42 HydrophobicContact CB-CD1 4.02Å; R35-Y42 HydrophobicContact CB-CE1 3.66Å; R35-Y42 HydrophobicContact CB-CE2 4.36Å; R35-Y42 HydrophobicContact CG-CD2 4.41Å; R35-Y42 HydrophobicContact CG-CE1 4.3Å; R35-Y42 HydrophobicContact CG-CE2 4.11Å; R35-L68 PolarHBondContact NH1-O 3.36Å
36S89.1Confident94Very high3 Ų359.3 Ų59.32%0.02129%0.294CS..PPolyproline II helixtrans-70.5127.5169.1-179.60000110.3W34 V38 Y39 E40 C41W34-S36 VanDerWaalsContact CZ3-CA 3.49Å; S36-V38 PolarHBondContact OG-N 3.45Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.38Å; S36-Y39 PolarHBondContact OG-N 3.42Å; S36-E40 WeakPolarHBondContact O-CA 3.46Å; S36-E40 PolarHBondContact O-N 2.95Å; S36-C41 PolarHBondContact N-O 3.02Å
37Y86.9Confident94Very high210 Ų21057.4 Ų57.482%0.82428%0.284SS*.THydrogen-bonded Turntrans-73.6-32.4170.1-176.1-98.4000111.9R35R35-Y37 PolarHBondContact O-N 3.37Å
38V86.2Confident94Very high107 Ų10751.1 Ų51.165%0.64826%0.255SS*.THydrogen-bonded Turntrans-73.8-40-178.4178.50000111.4S36S36-V38 PolarHBondContact OG-N 3.45Å
39Y83.7Confident93.9Very high123 Ų12349.9 Ų49.948%0.48224%0.241SC..THydrogen-bonded Turntrans-103.5-2.9-176.3-54.9-64.4000113.1W11 S36 C41W11-Y39 AromaticContact CD2-CD2 3.62Å; W11-Y39 HydrophobicContact CD2-CD2 3.62Å; W11-Y39 AromaticContact CD2-CE2 3.63Å; W11-Y39 HydrophobicContact CD2-CE2 3.63Å; W11-Y39 AromaticContact CE2-CD2 3.24Å; W11-Y39 AromaticContact CE2-CE2 3.67Å; W11-Y39 AromaticContact CE2-CG 3.84Å; W11-Y39 AromaticContact CE3-CD2 3.92Å; W11-Y39 HydrophobicContact CE3-CD2 3.92Å; W11-Y39 AromaticContact CE3-CE2 3.42Å; W11-Y39 HydrophobicContact CE3-CE2 3.42Å; W11-Y39 VanDerWaalsContact CE3-CE2 3.42Å; W11-Y39 HydrophobicContact CG-CD2 4.33Å; W11-Y39 AromaticContact CH2-CD1 3.98Å; W11-Y39 HydrophobicContact CH2-CD1 3.98Å; W11-Y39 AromaticContact CH2-CD2 3.63Å; W11-Y39 HydrophobicContact CH2-CD2 3.63Å; W11-Y39 AromaticContact CH2-CE1 3.72Å; W11-Y39 HydrophobicContact CH2-CE1 3.72Å; W11-Y39 AromaticContact CH2-CE2 3.39Å; W11-Y39 HydrophobicContact CH2-CE2 3.39Å; W11-Y39 AromaticContact CH2-CG 3.93Å; W11-Y39 HydrophobicContact CH2-CG 3.93Å; W11-Y39 AromaticContact CH2-CZ 3.42Å; W11-Y39 VanDerWaalsContact CH2-CZ 3.42Å; W11-Y39 AromaticContact CZ2-CD1 3.9Å; W11-Y39 HydrophobicContact CZ2-CD1 3.9Å; W11-Y39 AromaticContact CZ2-CD2 3.27Å; W11-Y39 HydrophobicContact CZ2-CD2 3.27Å; W11-Y39 HydrophobicContact CZ2-CE1 4.13Å; W11-Y39 AromaticContact CZ2-CE2 3.58Å; W11-Y39 HydrophobicContact CZ2-CE2 3.58Å; W11-Y39 AromaticContact CZ2-CG 3.47Å; W11-Y39 HydrophobicContact CZ2-CG 3.47Å; W11-Y39 VanDerWaalsContact CZ2-CG 3.47Å; W11-Y39 AromaticContact CZ2-CZ 3.98Å; W11-Y39 AromaticContact CZ3-CD2 3.94Å; W11-Y39 HydrophobicContact CZ3-CD2 3.94Å; W11-Y39 HydrophobicContact CZ3-CE1 4.24Å; W11-Y39 AromaticContact CZ3-CE2 3.31Å; W11-Y39 HydrophobicContact CZ3-CE2 3.31Å; W11-Y39 AromaticContact CZ3-CZ 3.47Å; W11-Y39 VanDerWaalsContact CZ3-CZ 3.47Å; W11-Y39 AromaticContact NE1-CD2 3.73Å; S36-Y39 WeakPolarHBondContact OG-CD2 3.38Å; S36-Y39 PolarHBondContact OG-N 3.42Å; Y39-C41 PolarHBondContact O-N 3.4Å; Y39-C41 PolarHBondContact O-SG 2.99Å
40E92.5Very high93.8Very high95 Ų9549 Ų4944%0.44423%0.231SC..  trans48.135.6178.7-56.7-165.2117.600114.9R35 S36 D69 S70R35-E40 VanDerWaalsContact CZ-C 3.46Å; R35-E40 PolarHBondContact NH1-O 3.44Å; R35-E40 VanDerWaalsContact NH1-O 3.1Å; R35-E40 VanDerWaalsContact NH2-C 3.29Å; R35-E40 PolarHBondContact NH2-O 2.99Å; S36-E40 WeakPolarHBondContact O-CA 3.46Å; S36-E40 PolarHBondContact O-N 2.95Å; E40-D69 WeakPolarHBondContact O-CA 3.22Å; E40-S70 VanDerWaalsContact CB-OG 3.26Å; E40-S70 WeakPolarHBondContact CB-OG 3.32Å; E40-S70 PolarHBondContact O-N 3.03Å; E40-S70 WeakPolarHBondContact OE2-CB 3.31Å; E40-S70 PolarHBondContact OE2-OG 2.97Å
41C93.9Very high93.7Very high14 Ų1453.2 Ų53.210%0.09525%0.249CC..SBendtrans-146.9169.1-178.9710000110.9S36 Y39 H45 D69S36-C41 PolarHBondContact N-O 3.02Å; Y39-C41 PolarHBondContact O-N 3.4Å; Y39-C41 PolarHBondContact O-SG 2.99Å; C41-H45 HydrophobicContact CB-CB 4.2Å; C41-D69 HydrophobicContact CB-CB 3.93Å
42Y96.4Very high93.8Very high61 Ų6151.8 Ų51.824%0.23924%0.243CC..  trans-101153177.2-59.1-103.1000110.5N33 R35 I44 H45 A67 L68N33-Y42 WeakPolarHBondContact O-CD1 3.5Å; N33-Y42 VanDerWaalsContact O-CE1 3.28Å; N33-Y42 WeakPolarHBondContact O-CE1 3.41Å; R35-Y42 HydrophobicContact CB-CD1 4.02Å; R35-Y42 HydrophobicContact CB-CE1 3.66Å; R35-Y42 HydrophobicContact CB-CE2 4.36Å; R35-Y42 HydrophobicContact CG-CD2 4.41Å; R35-Y42 HydrophobicContact CG-CE1 4.3Å; R35-Y42 HydrophobicContact CG-CE2 4.11Å; Y42-I44 PolarHBondContact O-N 2.82Å; Y42-H45 WeakPolarHBondContact CB-ND1 3.28Å; Y42-H45 AromaticContact CD2-CE1 3.49Å; Y42-H45 VanDerWaalsContact CD2-CE1 3.49Å; Y42-H45 WeakPolarHBondContact CD2-CE1 3.37Å; Y42-H45 AromaticContact CG-CE1 4Å; Y42-H45 PolarHBondContact N-ND1 3.42Å; Y42-H45 WeakPolarHBondContact O-CB 3.42Å; Y42-H45 PolarHBondContact O-N 3.36Å; Y42-H45 PolarHBondContact O-ND1 3.37Å; Y42-A67 HydrophobicContact CD1-CB 4.48Å; Y42-A67 HydrophobicContact CD2-CB 3.83Å; Y42-A67 HydrophobicContact CE2-CB 4.13Å; Y42-A67 HydrophobicContact CG-CB 4Å; Y42-L68 VanDerWaalsContact CE2-O 3.28Å; Y42-L68 WeakPolarHBondContact CE2-O 3.46Å
43P95.4Very high93.8Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-47.2-34.7179.1-3234.5000114.6F10 W34 H45 I46 C47F10-P43 HydrophobicContact CD1-CB 4.28Å; F10-P43 HydrophobicContact CD1-CG 4.02Å; F10-P43 HydrophobicContact CE1-CB 3.71Å; F10-P43 HydrophobicContact CE1-CG 3.82Å; W34-P43 WeakPolarHBondContact O-CD 3.16Å; P43-H45 VanDerWaalsContact C-N 3.29Å; P43-H45 PolarHBondContact O-N 3.25Å; P43-I46 WeakPolarHBondContact O-CG2 3.22Å; P43-I46 PolarHBondContact O-N 2.95Å; P43-C47 WeakPolarHBondContact O-CB 3.26Å; P43-C47 PolarHBondContact O-N 2.87Å; P43-C47 PolarHBondContact O-SG 3.27Å
44I96.4Very high93.8Very high1 Ų150.2 Ų50.21%0.00524%0.237CC..Hα-helixtrans-59.5-36178-160.9177.7000113.5Y42 I46 C47 S48 L55 V58 I59 A63 I65 A67 A75Y42-I44 PolarHBondContact O-N 2.82Å; I44-I46 PolarHBondContact O-N 2.94Å; I44-C47 PolarHBondContact O-N 2.91Å; I44-S48 PolarHBondContact O-N 3.24Å; I44-S48 PolarHBondContact O-OG 2.88Å; I44-S48 VanDerWaalsContact O-OG 3.05Å; I44-L55 HydrophobicContact CG1-CD1 3.88Å; I44-V58 HydrophobicContact CB-CG1 4.38Å; I44-I59 HydrophobicContact CD1-CG1 4.38Å; I44-A63 HydrophobicContact CB-CB 4.43Å; I44-A63 HydrophobicContact CD1-CB 4.3Å; I44-I65 HydrophobicContact CD1-CB 4.32Å; I44-I65 HydrophobicContact CD1-CG1 4.27Å; I44-A67 HydrophobicContact CG2-CB 4.42Å; I44-A75 HydrophobicContact CD1-CB 4Å; I44-A75 HydrophobicContact CG1-CB 3.98Å; I44-A75 HydrophobicContact CG2-CB 4.4Å
45H96Very high94Very high0 Ų047 Ų470%023%0.225CC..Hα-helixtrans-65.1-41.5-179.1-58.482.2000111.9C41 Y42 P43 Q49 A67 D69 N73 H78C41-H45 HydrophobicContact CB-CB 4.2Å; Y42-H45 WeakPolarHBondContact CB-ND1 3.28Å; Y42-H45 AromaticContact CD2-CE1 3.49Å; Y42-H45 VanDerWaalsContact CD2-CE1 3.49Å; Y42-H45 WeakPolarHBondContact CD2-CE1 3.37Å; Y42-H45 AromaticContact CG-CE1 4Å; Y42-H45 PolarHBondContact N-ND1 3.42Å; Y42-H45 WeakPolarHBondContact O-CB 3.42Å; Y42-H45 PolarHBondContact O-N 3.36Å; Y42-H45 PolarHBondContact O-ND1 3.37Å; P43-H45 VanDerWaalsContact C-N 3.29Å; P43-H45 PolarHBondContact O-N 3.25Å; H45-Q49 PolarHBondContact O-NE2 3.5Å; H45-A67 PolarHBondContact NE2-O 2.88Å; H45-D69 PolarHBondContact NE2-N 3.13Å; H45-N73 PolarHBondContact NE2-O 3.09Å; H45-H78 AromaticContact CD2-CD2 3.5Å; H45-H78 PolarHBondContact CD2-CD2 3.23Å; H45-H78 VanDerWaalsContact CD2-CD2 3.5Å; H45-H78 AromaticContact CD2-NE2 3.53Å; H45-H78 AromaticContact CG-CD2 4Å; H45-H78 AromaticContact CG-NE2 3.96Å
46I95.2Very high94.1Very high33 Ų3347 Ų4717%0.16923%0.229CC..Hα-helixtrans-75.4-37.3177-17262.8000110.9C14 P43 I44 S48 Q49 G50C14-I46 HydrophobicContact CB-CG2 4.03Å; P43-I46 WeakPolarHBondContact O-CG2 3.22Å; P43-I46 PolarHBondContact O-N 2.95Å; I44-I46 PolarHBondContact O-N 2.94Å; I46-S48 PolarHBondContact O-N 3.31Å; I46-Q49 PolarHBondContact O-N 3.15Å; I46-G50 PolarHBondContact O-N 2.99Å
47C96.6Very high94.5Very high1 Ų148.5 Ų48.51%0.00724%0.236CC..Hα-helixtrans-59.9-35.4174.3-69.30000112.5C14 P43 I44 Q49 G50 I54 L55 N87C14-C47 VanDerWaalsContact CB-SG 3.59Å; P43-C47 WeakPolarHBondContact O-CB 3.26Å; P43-C47 PolarHBondContact O-N 2.87Å; P43-C47 PolarHBondContact O-SG 3.27Å; I44-C47 PolarHBondContact O-N 2.91Å; C47-Q49 PolarHBondContact O-N 2.78Å; C47-G50 PolarHBondContact O-N 2.91Å; C47-G50 VanDerWaalsContact O-N 3.08Å; C47-I54 VanDerWaalsContact SG-CG2 3.6Å; C47-L55 HydrophobicContact CB-CB 4.14Å; C47-L55 HydrophobicContact CB-CD1 3.88Å; C47-N87 PolarHBondContact O-ND2 3.22Å
48S96.5Very high95Very high0 Ų038.5 Ų38.50%020%0.197CC..THydrogen-bonded Turntrans-60.3-24.8177.6-70.70000114.4I44 I46 A75 N87I44-S48 PolarHBondContact O-N 3.24Å; I44-S48 PolarHBondContact O-OG 2.88Å; I44-S48 VanDerWaalsContact O-OG 3.05Å; I46-S48 PolarHBondContact O-N 3.31Å; S48-A75 WeakPolarHBondContact CB-O 3.28Å; S48-A75 WeakPolarHBondContact OG-CA 3.45Å; S48-A75 WeakPolarHBondContact OG-CB 3.18Å; S48-A75 PolarHBondContact OG-O 3.18Å; S48-N87 VanDerWaalsContact C-ND2 3.27Å; S48-N87 VanDerWaalsContact O-CB 3.3Å; S48-N87 WeakPolarHBondContact O-CB 3.29Å; S48-N87 PolarHBondContact O-ND2 3.07Å
49Q95.3Very high95.4Very high47 Ų4735.9 Ų35.922%0.2218%0.178CC..THydrogen-bonded Turntrans-94.5-17.3178.5-57.2175.36800111.9H45 I46 C47 H78 N84H45-Q49 PolarHBondContact O-NE2 3.5Å; I46-Q49 PolarHBondContact O-N 3.15Å; C47-Q49 PolarHBondContact O-N 2.78Å; Q49-H78 HydrophobicContact CG-CB 3.91Å; Q49-H78 PolarHBondContact NE2-ND1 3.01Å; Q49-N84 PolarHBondContact O-ND2 2.96Å
50G92.8Very high96Very high27 Ų2738.8 Ų38.828%0.27819%0.188SC..SBendtrans-102.7-147.8-171.900000114.7I46 C47 N84 N87I46-G50 PolarHBondContact O-N 2.99Å; C47-G50 PolarHBondContact O-N 2.91Å; C47-G50 VanDerWaalsContact O-N 3.08Å; G50-N84 PolarHBondContact O-ND2 2.98Å; G50-N87 PolarHBondContact O-ND2 2.86Å
51K95Very high96.2Very high104 Ų10436.1 Ų36.145%0.45218%0.183SC..  trans-66.2129.6-175.2-69.3-173.3178.7172.80112.3G17 S53 I54 L55G17-K51 WeakPolarHBondContact O-CD 3.39Å; G17-K51 WeakPolarHBondContact O-CE 3.41Å; G17-K51 PolarHBondContact O-NZ 3.36Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.09Å; K51-I54 HydrophobicContact CB-CD1 4.28Å; K51-I54 HydrophobicContact CB-CG1 4.19Å; K51-I54 PolarHBondContact O-N 3.49Å; K51-L55 PolarHBondContact O-N 3.38Å
52P97.6Very high96.3Very high45 Ų4537.7 Ų37.729%0.29220%0.201SC..Hα-helixtrans-58.2-33.3177.2-26.334.1000115.1I54 L55 Q56 T86 N87 M90P52-I54 VanDerWaalsContact C-N 3.29Å; P52-I54 PolarHBondContact O-N 3.43Å; P52-L55 PolarHBondContact O-N 2.98Å; P52-Q56 WeakPolarHBondContact O-CB 3.5Å; P52-Q56 PolarHBondContact O-N 3.31Å; P52-T86 HydrophobicContact CB-CG2 3.75Å; P52-T86 HydrophobicContact CG-CG2 3.71Å; P52-N87 WeakPolarHBondContact CA-OD1 3.14Å; P52-N87 WeakPolarHBondContact CB-OD1 3.49Å; P52-N87 WeakPolarHBondContact CG-OD1 3.41Å; P52-M90 HydrophobicContact CB-SD 3.98Å
53S97.5Very high96.4Very high35 Ų3535.3 Ų35.325%0.24519%0.194CC..Hα-helixtrans-58.9-40.7175.5550000112.2E19 K51 M57E19-S53 VanDerWaalsContact CD-OG 3.27Å; E19-S53 VanDerWaalsContact OE2-CB 3.3Å; E19-S53 WeakPolarHBondContact OE2-CB 3.04Å; E19-S53 PolarHBondContact OE2-OG 3Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.09Å; S53-M57 WeakPolarHBondContact O-CG 3.5Å; S53-M57 PolarHBondContact O-N 3.1Å
54I97.6Very high96.4Very high2 Ų239.1 Ų39.11%0.0121%0.214CC..Hα-helixtrans-72.8-44.1179.8-59.5-178.2000110.5C14 G17 E19 A22 C47 K51 P52 Q56 M57 V58C14-I54 HydrophobicContact CB-CG2 4.34Å; G17-I54 VanDerWaalsContact C-CD1 3.5Å; E19-I54 HydrophobicContact CB-CD1 4.37Å; E19-I54 HydrophobicContact CB-CG1 4.13Å; E19-I54 HydrophobicContact CG-CG1 4.34Å; A22-I54 HydrophobicContact CB-CG2 4.36Å; C47-I54 VanDerWaalsContact SG-CG2 3.6Å; K51-I54 HydrophobicContact CB-CD1 4.28Å; K51-I54 HydrophobicContact CB-CG1 4.19Å; K51-I54 PolarHBondContact O-N 3.49Å; P52-I54 VanDerWaalsContact C-N 3.29Å; P52-I54 PolarHBondContact O-N 3.43Å; I54-Q56 VanDerWaalsContact C-N 3.27Å; I54-Q56 PolarHBondContact O-N 3.43Å; I54-M57 WeakPolarHBondContact O-CB 3.42Å; I54-M57 PolarHBondContact O-N 3.05Å; I54-M57 VanDerWaalsContact O-N 3.13Å; I54-V58 HydrophobicContact CG2-CG2 4.23Å; I54-V58 VanDerWaalsContact O-CG2 3.29Å; I54-V58 WeakPolarHBondContact O-CG2 3.11Å; I54-V58 PolarHBondContact O-N 2.96Å
55L98Very high96.3Very high0 Ų040.4 Ų40.40%022%0.221CC..Hα-helixtrans-56.4-45.2174.7179.762.9000111I44 C47 K51 P52 M57 V58 I59 N87 M90 L91I44-L55 HydrophobicContact CG1-CD1 3.88Å; C47-L55 HydrophobicContact CB-CB 4.14Å; C47-L55 HydrophobicContact CB-CD1 3.88Å; K51-L55 PolarHBondContact O-N 3.38Å; P52-L55 PolarHBondContact O-N 2.98Å; L55-M57 VanDerWaalsContact C-N 3.33Å; L55-M57 PolarHBondContact O-N 3.34Å; L55-V58 PolarHBondContact O-N 3.26Å; L55-I59 HydrophobicContact CD1-CD1 3.97Å; L55-I59 HydrophobicContact CD1-CG1 4.24Å; L55-I59 HydrophobicContact CG-CD1 3.87Å; L55-I59 HydrophobicContact CG-CG1 4.5Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 2.92Å; L55-N87 HydrophobicContact CD2-CB 3.54Å; L55-N87 VanDerWaalsContact CD2-CG 3.45Å; L55-N87 WeakPolarHBondContact CD2-OD1 3.37Å; L55-M90 HydrophobicContact CB-CE 4.14Å; L55-M90 HydrophobicContact CD2-CE 4.06Å; L55-M90 HydrophobicContact CG-CE 4Å; L55-L91 HydrophobicContact CD1-CD2 4.48Å; L55-L91 HydrophobicContact CD2-CD1 4.49Å; L55-L91 HydrophobicContact CD2-CD2 4.45Å; L55-L91 HydrophobicContact CD2-CG 4.23Å
56Q97.3Very high96.3Very high80 Ų8044 Ų4437%0.37424%0.241SC..Hα-helixtrans-60.5-42.6177.4-170.2174.980.300111.7P52 I54 R60 M90P52-Q56 WeakPolarHBondContact O-CB 3.5Å; P52-Q56 PolarHBondContact O-N 3.31Å; I54-Q56 VanDerWaalsContact C-N 3.27Å; I54-Q56 PolarHBondContact O-N 3.43Å; Q56-R60 VanDerWaalsContact CD-NH2 3.34Å; Q56-R60 WeakPolarHBondContact O-CB 3.29Å; Q56-R60 VanDerWaalsContact O-CG 3.27Å; Q56-R60 WeakPolarHBondContact O-CG 3.31Å; Q56-R60 PolarHBondContact O-N 3.14Å; Q56-R60 VanDerWaalsContact OE1-CZ 3.31Å; Q56-M90 HydrophobicContact CB-CE 3.57Å; Q56-M90 HydrophobicContact CG-CE 4.28Å
57M97.4Very high96.3Very high34 Ų3442.7 Ų42.717%0.16724%0.235CC..Hα-helixtrans-63.1-43.8177.2-73.516548.700112.2E19 A22 K23 I26 S53 I54 L55 R60 A61E19-M57 HydrophobicContact CG-SD 3.87Å; A22-M57 HydrophobicContact CB-CE 4.15Å; K23-M57 HydrophobicContact CB-CE 3.45Å; K23-M57 VanDerWaalsContact CB-CE 3.45Å; K23-M57 HydrophobicContact CG-CE 4.11Å; K23-M57 VanDerWaalsContact N-CE 3.29Å; I26-M57 HydrophobicContact CD1-CB 4.04Å; I26-M57 HydrophobicContact CD1-CE 4.06Å; S53-M57 WeakPolarHBondContact O-CG 3.5Å; S53-M57 PolarHBondContact O-N 3.1Å; I54-M57 WeakPolarHBondContact O-CB 3.42Å; I54-M57 PolarHBondContact O-N 3.05Å; I54-M57 VanDerWaalsContact O-N 3.13Å; L55-M57 VanDerWaalsContact C-N 3.33Å; L55-M57 PolarHBondContact O-N 3.34Å; M57-R60 PolarHBondContact O-N 3.25Å; M57-A61 WeakPolarHBondContact O-CB 3.33Å; M57-A61 PolarHBondContact O-N 3.38Å
58V96.8Very high96.3Very high0 Ų046.7 Ų46.70%026%0.255CS..Hα-helixtrans-66.5-42.8-179.8172.50000110.9F10 I26 I44 I54 L55 A61 G62 A63F10-V58 HydrophobicContact CE2-CG2 4.48Å; F10-V58 HydrophobicContact CZ-CG2 3.73Å; I26-V58 HydrophobicContact CD1-CG2 4.49Å; I44-V58 HydrophobicContact CB-CG1 4.38Å; I54-V58 HydrophobicContact CG2-CG2 4.23Å; I54-V58 VanDerWaalsContact O-CG2 3.29Å; I54-V58 WeakPolarHBondContact O-CG2 3.11Å; I54-V58 PolarHBondContact O-N 2.96Å; L55-V58 PolarHBondContact O-N 3.26Å; V58-A61 PolarHBondContact O-N 2.66Å; V58-G62 PolarHBondContact O-N 3.26Å; V58-A63 HydrophobicContact CB-CB 4.46Å; V58-A63 HydrophobicContact CG1-CB 3.32Å; V58-A63 WeakPolarHBondContact O-CB 3.47Å; V58-A63 PolarHBondContact O-N 2.97Å; V58-A63 VanDerWaalsContact O-N 3.12Å
59I96.2Very high96.2Very high51 Ų5147.8 Ų47.826%0.26226%0.261SS..Hα-helixtrans-61.3-47.3173.5-68.2170.9000110.9I44 L55 A61 G62 L91I44-I59 HydrophobicContact CD1-CG1 4.38Å; L55-I59 HydrophobicContact CD1-CD1 3.97Å; L55-I59 HydrophobicContact CD1-CG1 4.24Å; L55-I59 HydrophobicContact CG-CD1 3.87Å; L55-I59 HydrophobicContact CG-CG1 4.5Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 2.92Å; I59-A61 PolarHBondContact O-N 3.39Å; I59-G62 PolarHBondContact O-N 2.9Å; I59-L91 HydrophobicContact CD1-CD2 4.2Å
60R96.2Very high96.2Very high184 Ų18447.6 Ų47.669%0.69427%0.265SS*.Hα-helixtrans-62.7-27.5177.7-76.6178.9177.9162.44.5113.5Q56 M57 G62Q56-R60 VanDerWaalsContact CD-NH2 3.34Å; Q56-R60 WeakPolarHBondContact O-CB 3.29Å; Q56-R60 VanDerWaalsContact O-CG 3.27Å; Q56-R60 WeakPolarHBondContact O-CG 3.31Å; Q56-R60 PolarHBondContact O-N 3.14Å; Q56-R60 VanDerWaalsContact OE1-CZ 3.31Å; M57-R60 PolarHBondContact O-N 3.25Å; R60-G62 PolarHBondContact O-N 3.16Å
61A96.9Very high96.3Very high40 Ų4047.4 Ų47.433%0.33126%0.263SS..THydrogen-bonded Turntrans-80.42.5175.700000113.5I26 V32 M57 V58 I59I26-A61 HydrophobicContact CD1-CB 4.32Å; I26-A61 HydrophobicContact CG2-CB 3.79Å; V32-A61 HydrophobicContact CG1-CB 3.73Å; V32-A61 HydrophobicContact CG2-CB 4.27Å; V32-A61 WeakPolarHBondContact CG2-O 3.36Å; M57-A61 WeakPolarHBondContact O-CB 3.33Å; M57-A61 PolarHBondContact O-N 3.38Å; V58-A61 PolarHBondContact O-N 2.66Å; I59-A61 PolarHBondContact O-N 3.39Å
62G96.1Very high96.4Very high47 Ų4742.9 Ų42.949%0.48525%0.246SC..THydrogen-bonded Turntrans89.227176.700000114.2N33 V58 I59 R60N33-G62 PolarHBondContact ND2-O 3.44Å; V58-G62 PolarHBondContact O-N 3.26Å; I59-G62 PolarHBondContact O-N 2.9Å; R60-G62 PolarHBondContact O-N 3.16Å
63A96.7Very high96.4Very high11 Ų1141.7 Ų41.79%0.09124%0.237CC..  trans-63.9135.9170.700000111.3V32 N33 I44 V58 I65V32-A63 HydrophobicContact CB-CB 4.41Å; V32-A63 HydrophobicContact CG2-CB 4.16Å; N33-A63 VanDerWaalsContact OD1-CA 3.29Å; N33-A63 WeakPolarHBondContact OD1-CA 3.38Å; I44-A63 HydrophobicContact CB-CB 4.43Å; I44-A63 HydrophobicContact CD1-CB 4.3Å; V58-A63 HydrophobicContact CB-CB 4.46Å; V58-A63 HydrophobicContact CG1-CB 3.32Å; V58-A63 WeakPolarHBondContact O-CB 3.47Å; V58-A63 PolarHBondContact O-N 2.97Å; V58-A63 VanDerWaalsContact O-N 3.12Å; A63-I65 PolarHBondContact O-N 2.81Å
64D95.8Very high96.4Very high79 Ų7940.2 Ų40.242%0.42223%0.227SC..  trans-68.8111.3174.9178.611.7000109.7N33 N66 A67N33-D64 PolarHBondContact OD1-N 2.92Å; D64-N66 PolarHBondContact O-N 3.15Å; D64-N66 PolarHBondContact OD1-N 3.4Å; D64-A67 HydrophobicContact CB-CB 4.19Å; D64-A67 WeakPolarHBondContact O-CB 3.42Å; D64-A67 PolarHBondContact O-N 3.19Å
65I95.6Very high96.4Very high28 Ų2840.1 Ų40.114%0.14423%0.226CC..THydrogen-bonded Turntrans-66.7-25.5-179.4-162.4167.3000113.3I44 A63 L91 A94 V96I44-I65 HydrophobicContact CD1-CB 4.32Å; I44-I65 HydrophobicContact CD1-CG1 4.27Å; A63-I65 PolarHBondContact O-N 2.81Å; I65-L91 HydrophobicContact CD1-CD2 3.71Å; I65-L91 HydrophobicContact CG1-CD2 3.7Å; I65-A94 HydrophobicContact CD1-CB 3.26Å; I65-V96 HydrophobicContact CB-CG1 4.49Å; I65-V96 HydrophobicContact CD1-CG1 3.37Å; I65-V96 HydrophobicContact CG1-CG1 3.58Å; I65-V96 HydrophobicContact CG2-CG1 4.18Å
66N94.5Very high96.5Very high77 Ų7740.2 Ų40.241%0.41223%0.227SC..THydrogen-bonded Turntrans-100.510.6-177.6-62.3-50.4000112.5D64D64-N66 PolarHBondContact O-N 3.15Å; D64-N66 PolarHBondContact OD1-N 3.4Å
67A95.8Very high96.5Very high5 Ų536.4 Ų36.44%0.04121%0.209CC..  trans-55.9144175.400000110.8Y42 I44 H45 D64Y42-A67 HydrophobicContact CD1-CB 4.48Å; Y42-A67 HydrophobicContact CD2-CB 3.83Å; Y42-A67 HydrophobicContact CE2-CB 4.13Å; Y42-A67 HydrophobicContact CG-CB 4Å; I44-A67 HydrophobicContact CG2-CB 4.42Å; H45-A67 PolarHBondContact NE2-O 2.88Å; D64-A67 HydrophobicContact CB-CB 4.19Å; D64-A67 WeakPolarHBondContact O-CB 3.42Å; D64-A67 PolarHBondContact O-N 3.19Å
68L96.2Very high96.5Very high85 Ų8535.6 Ų35.645%0.44521%0.205SC..  trans-112.6130.1-177.3-56.2179.7000111.3R35 Y42 N73 T74R35-L68 PolarHBondContact NH1-O 3.36Å; Y42-L68 VanDerWaalsContact CE2-O 3.28Å; Y42-L68 WeakPolarHBondContact CE2-O 3.46Å; L68-N73 WeakPolarHBondContact CA-O 3.41Å; L68-T74 HydrophobicContact CD2-CG2 3.55Å
69D95.5Very high96.6Very high23 Ų2335.6 Ų35.612%0.12321%0.205CC..  trans-71.6-175169.578.7-4.2000112.3E40 C41 H45 G71 G72 N73 H78E40-D69 WeakPolarHBondContact O-CA 3.22Å; C41-D69 HydrophobicContact CB-CB 3.93Å; H45-D69 PolarHBondContact NE2-N 3.13Å; D69-G71 PolarHBondContact O-N 3.47Å; D69-G71 VanDerWaalsContact OD1-C 3.23Å; D69-G71 WeakPolarHBondContact OD1-CA 3.3Å; D69-G71 PolarHBondContact OD1-N 3.36Å; D69-G72 PolarHBondContact O-N 3.21Å; D69-G72 VanDerWaalsContact O-N 3.13Å; D69-G72 PolarHBondContact OD1-N 3.02Å; D69-N73 PolarHBondContact N-O 3.04Å; D69-N73 WeakPolarHBondContact OD1-CB 3.28Å; D69-N73 PolarHBondContact OD1-N 3.12Å; D69-N73 PolarHBondContact OD1-ND2 2.65Å; D69-N73 WeakPolarHBondContact OD2-CB 3.39Å; D69-N73 PolarHBondContact OD2-ND2 3.45Å; D69-H78 IonicContact OD2-CE1 3.99Å; D69-H78 IonicContact OD2-NE2 3.98Å; D69-H78 PolarHBondContact OD2-NE2 3.36Å
70S95Very high96.7Very high42 Ų4233.1 Ų33.129%0.29419%0.192SC..THydrogen-bonded Turntrans-66.8-22175.849.50000113.8E40 G72 K103E40-S70 VanDerWaalsContact CB-OG 3.26Å; E40-S70 WeakPolarHBondContact CB-OG 3.32Å; E40-S70 PolarHBondContact O-N 3.03Å; E40-S70 WeakPolarHBondContact OE2-CB 3.31Å; E40-S70 PolarHBondContact OE2-OG 2.97Å; S70-G72 VanDerWaalsContact C-N 3.32Å; S70-K103 WeakPolarHBondContact O-CD 3.46Å; S70-K103 WeakPolarHBondContact O-CE 3.29Å; S70-K103 PolarHBondContact O-NZ 2.92Å
71G95.2Very high96.8Very high24 Ų2426 Ų2625%0.24717%0.167CC..THydrogen-bonded Turntrans-82.8-4.1171.700000114D69 N73 K103D69-G71 PolarHBondContact O-N 3.47Å; D69-G71 VanDerWaalsContact OD1-C 3.23Å; D69-G71 WeakPolarHBondContact OD1-CA 3.3Å; D69-G71 PolarHBondContact OD1-N 3.36Å; G71-N73 VanDerWaalsContact C-N 3.26Å; G71-K103 WeakPolarHBondContact O-CB 3.31Å; G71-K103 VanDerWaalsContact O-CG 3.26Å; G71-K103 WeakPolarHBondContact O-CG 3.21Å; G71-K103 PolarHBondContact O-N 2.98Å
72G96.7Very high96.8Very high9 Ų926.2 Ų26.29%0.09317%0.166CC..  trans75.213.6-171.900000113.6D69 S70 N102D69-G72 PolarHBondContact O-N 3.21Å; D69-G72 VanDerWaalsContact O-N 3.13Å; D69-G72 PolarHBondContact OD1-N 3.02Å; S70-G72 VanDerWaalsContact C-N 3.32Å; G72-N102 WeakPolarHBondContact O-CA 3.46Å; G72-N102 WeakPolarHBondContact O-CB 3.47Å
73N97.9Very high96.8Very high19 Ų1924.8 Ų24.810%0.10215%0.151CC..  trans-76.2142.3176-57.2-65.5000110.4H45 L68 D69 G71 H77 N102H45-N73 PolarHBondContact NE2-O 3.09Å; L68-N73 WeakPolarHBondContact CA-O 3.41Å; D69-N73 PolarHBondContact N-O 3.04Å; D69-N73 WeakPolarHBondContact OD1-CB 3.28Å; D69-N73 PolarHBondContact OD1-N 3.12Å; D69-N73 PolarHBondContact OD1-ND2 2.65Å; D69-N73 WeakPolarHBondContact OD2-CB 3.39Å; D69-N73 PolarHBondContact OD2-ND2 3.45Å; G71-N73 VanDerWaalsContact C-N 3.26Å; N73-H77 HydrophobicContact CB-CB 3.88Å; N73-N102 WeakPolarHBondContact OD1-CB 3.4Å; N73-N102 PolarHBondContact OD1-ND2 3.25Å
74T97.7Very high96.9Very high4 Ų425.7 Ų25.73%0.02516%0.155CC..  trans-94.2170.3168.961.10000111.6L68 L76 H77 H78 I100L68-T74 HydrophobicContact CD2-CG2 3.55Å; T74-L76 PolarHBondContact O-N 3.01Å; T74-L76 VanDerWaalsContact O-N 3.11Å; T74-L76 PolarHBondContact OG1-N 3.17Å; T74-H77 PolarHBondContact N-ND1 3.09Å; T74-H77 VanDerWaalsContact N-ND1 3.11Å; T74-H77 WeakPolarHBondContact O-CB 3.49Å; T74-H77 PolarHBondContact O-N 3.49Å; T74-H77 PolarHBondContact OG1-ND1 3.19Å; T74-H78 PolarHBondContact O-CD2 3.02Å; T74-H78 PolarHBondContact O-N 3.12Å; T74-I100 HydrophobicContact CG2-CD1 3.48Å; T74-I100 VanDerWaalsContact CG2-CD1 3.48Å; T74-I100 HydrophobicContact CG2-CG1 3.99Å; T74-I100 HydrophobicContact CG2-CG2 4.16Å
75A97.5Very high97Very high0 Ų026.3 Ų26.30%016%0.155CC..Hα-helixtrans-47.4-37168.200000113.7I44 S48 H78 A79 L91I44-A75 HydrophobicContact CD1-CB 4Å; I44-A75 HydrophobicContact CG1-CB 3.98Å; I44-A75 HydrophobicContact CG2-CB 4.4Å; S48-A75 WeakPolarHBondContact CB-O 3.28Å; S48-A75 WeakPolarHBondContact OG-CA 3.45Å; S48-A75 WeakPolarHBondContact OG-CB 3.18Å; S48-A75 PolarHBondContact OG-O 3.18Å; A75-H78 PolarHBondContact O-N 3.26Å; A75-A79 PolarHBondContact O-N 2.8Å; A75-A79 VanDerWaalsContact O-N 3.08Å; A75-L91 HydrophobicContact CB-CD1 3.98Å; A75-L91 HydrophobicContact CB-CD2 3.79Å; A75-L91 WeakPolarHBondContact O-CD1 3.46Å
76L98.3Very high97.1Very high2 Ų228.5 Ų28.51%0.0117%0.17CC..Hα-helixtrans-72.2-36-179.7-176.360000112.3T74 H78 A79 A80 A88 L91 L92 V96 P108 L124T74-L76 PolarHBondContact O-N 3.01Å; T74-L76 VanDerWaalsContact O-N 3.11Å; T74-L76 PolarHBondContact OG1-N 3.17Å; L76-H78 VanDerWaalsContact C-N 3.32Å; L76-H78 PolarHBondContact O-N 2.95Å; L76-A79 PolarHBondContact O-N 3.07Å; L76-A80 WeakPolarHBondContact O-CB 3.36Å; L76-A80 PolarHBondContact O-N 2.72Å; L76-A88 HydrophobicContact CD1-CB 4.38Å; L76-L91 HydrophobicContact CB-CD1 4.46Å; L76-L91 HydrophobicContact CD1-CB 4.25Å; L76-L92 HydrophobicContact CD1-CD2 4.33Å; L76-L92 HydrophobicContact CD1-CG 4.23Å; L76-L92 HydrophobicContact CD2-CD2 3.93Å; L76-V96 HydrophobicContact CD2-CG2 3.68Å; L76-P108 HydrophobicContact CB-CG 4.13Å; L76-P108 HydrophobicContact CD2-CB 4.1Å; L76-P108 HydrophobicContact CD2-CG 3.74Å; L76-P108 HydrophobicContact CG-CB 3.8Å; L76-P108 HydrophobicContact CG-CG 3.67Å; L76-L124 HydrophobicContact CD1-CD2 4.35Å; L76-L124 HydrophobicContact CD2-CD2 3.97Å; L76-L124 HydrophobicContact CG-CD2 4.38Å
77H98.4Very high97.3Very high0 Ų024.8 Ų24.80%015%0.15CC..Hα-helixtrans-60.1-43.5172.8-70.991000111.5N73 T74 A80 M81 I100 W106 N111N73-H77 HydrophobicContact CB-CB 3.88Å; T74-H77 PolarHBondContact N-ND1 3.09Å; T74-H77 VanDerWaalsContact N-ND1 3.11Å; T74-H77 WeakPolarHBondContact O-CB 3.49Å; T74-H77 PolarHBondContact O-N 3.49Å; T74-H77 PolarHBondContact OG1-ND1 3.19Å; H77-A80 PolarHBondContact O-N 3.1Å; H77-M81 WeakPolarHBondContact O-CB 3.27Å; H77-M81 PolarHBondContact O-N 3.03Å; H77-I100 PolarHBondContact CE1-O 3.5Å; H77-I100 PolarHBondContact NE2-O 3.35Å; H77-W106 PolarHBondContact NE2-O 3.18Å; H77-N111 PolarHBondContact O-ND2 2.94Å
78H97.7Very high97.4Very high17 Ų1724.6 Ų24.68%0.07915%0.148CC..Hα-helixtrans-66-43.9177.9-76.7-86.8000112.2H45 Q49 D69 T74 A75 L76 A80 M81 S82H45-H78 AromaticContact CD2-CD2 3.5Å; H45-H78 PolarHBondContact CD2-CD2 3.23Å; H45-H78 VanDerWaalsContact CD2-CD2 3.5Å; H45-H78 AromaticContact CD2-NE2 3.53Å; H45-H78 AromaticContact CG-CD2 4Å; H45-H78 AromaticContact CG-NE2 3.96Å; Q49-H78 HydrophobicContact CG-CB 3.91Å; Q49-H78 PolarHBondContact NE2-ND1 3.01Å; D69-H78 IonicContact OD2-CE1 3.99Å; D69-H78 IonicContact OD2-NE2 3.98Å; D69-H78 PolarHBondContact OD2-NE2 3.36Å; T74-H78 PolarHBondContact O-CD2 3.02Å; T74-H78 PolarHBondContact O-N 3.12Å; A75-H78 PolarHBondContact O-N 3.26Å; L76-H78 VanDerWaalsContact C-N 3.32Å; L76-H78 PolarHBondContact O-N 2.95Å; H78-A80 VanDerWaalsContact C-N 3.3Å; H78-A80 PolarHBondContact O-N 3.41Å; H78-M81 PolarHBondContact O-N 3.31Å; H78-S82 PolarHBondContact O-N 3.32Å; H78-S82 PolarHBondContact O-OG 3.05Å
79A98.1Very high97.5Very high0 Ų024.6 Ų24.60%015%0.146CC..Hα-helixtrans-62-39.4176.800000112.1A75 L76 S82 G83 N84 N87 A88 L91A75-A79 PolarHBondContact O-N 2.8Å; A75-A79 VanDerWaalsContact O-N 3.08Å; L76-A79 PolarHBondContact O-N 3.07Å; A79-S82 PolarHBondContact O-OG 2.93Å; A79-G83 PolarHBondContact O-N 3.32Å; A79-N84 PolarHBondContact O-N 3.36Å; A79-N87 HydrophobicContact CB-CB 4.34Å; A79-A88 HydrophobicContact CB-CB 3.98Å; A79-L91 HydrophobicContact CB-CD1 3.84Å
80A98.5Very high97.5Very high0 Ų025.4 Ų25.40%015%0.149CC..Hα-helixtrans-68.1-40.8176.300000112.7L76 H77 H78 G83 P108 N111 A112 H117 I120 L124L76-A80 WeakPolarHBondContact O-CB 3.36Å; L76-A80 PolarHBondContact O-N 2.72Å; H77-A80 PolarHBondContact O-N 3.1Å; H78-A80 VanDerWaalsContact C-N 3.3Å; H78-A80 PolarHBondContact O-N 3.41Å; A80-G83 PolarHBondContact O-N 2.92Å; A80-P108 HydrophobicContact CB-CB 4.11Å; A80-P108 VanDerWaalsContact CB-O 3.32Å; A80-P108 WeakPolarHBondContact CB-O 3.46Å; A80-N111 HydrophobicContact CB-CB 3.95Å; A80-A112 HydrophobicContact CB-CB 4.42Å; A80-H117 PolarHBondContact O-CD2 2.77Å; A80-I120 HydrophobicContact CB-CG2 3.72Å; A80-L124 HydrophobicContact CB-CD1 4.47Å
81M98Very high97.7Very high33 Ų3323.4 Ų23.416%0.16314%0.135CC..Hα-helixtrans-62.4-44176.6-176.9-177.8-58.700112.1H77 H78 G83 N111 W115 H117 A406H77-M81 WeakPolarHBondContact O-CB 3.27Å; H77-M81 PolarHBondContact O-N 3.03Å; H78-M81 PolarHBondContact O-N 3.31Å; M81-G83 VanDerWaalsContact C-N 3.29Å; M81-G83 PolarHBondContact O-N 3.01Å; M81-N111 HydrophobicContact CB-CB 4.31Å; M81-N111 WeakPolarHBondContact CE-ND2 3.4Å; M81-W115 HydrophobicContact CG-CG 4.35Å; M81-H117 PolarHBondContact O-NE2 3.41Å; M81-A406 HydrophobicContact SD-CB 3.79Å
82S96.7Very high97.7Very high45 Ų4522.9 Ų22.932%0.31513%0.127SC..THydrogen-bonded Turntrans-80.8-6.7-178.670.20000113.9H78 A79 N84H78-S82 PolarHBondContact O-N 3.32Å; H78-S82 PolarHBondContact O-OG 3.05Å; A79-S82 PolarHBondContact O-OG 2.93Å; S82-N84 VanDerWaalsContact C-N 3.26Å; S82-N84 PolarHBondContact O-N 3.48Å; S82-N84 WeakPolarHBondContact OG-CB 3.48Å
83G97.5Very high97.6Very high17 Ų1731.2 Ų31.218%0.17516%0.157CC..THydrogen-bonded Turntrans67.422.9-174.600000114.1A79 A80 M81 E85 H117A79-G83 PolarHBondContact O-N 3.32Å; A80-G83 PolarHBondContact O-N 2.92Å; M81-G83 VanDerWaalsContact C-N 3.29Å; M81-G83 PolarHBondContact O-N 3.01Å; G83-E85 PolarHBondContact O-N 2.88Å; G83-H117 VanDerWaalsContact CA-CD2 3.5Å; G83-H117 WeakPolarHBondContact CA-CD2 3.36Å; G83-H117 VanDerWaalsContact CA-CG 3.44Å; G83-H117 WeakPolarHBondContact CA-ND1 3.35Å; G83-H117 PolarHBondContact N-CD2 3.46Å; G83-H117 PolarHBondContact N-NE2 3.29Å
84N97.2Very high97.4Very high30 Ų3032.9 Ų32.916%0.1617%0.174CC..  trans-83.590.7-175.7-168.9-41.1000110.4Q49 G50 A79 S82 T86 N87 A88Q49-N84 PolarHBondContact O-ND2 2.96Å; G50-N84 PolarHBondContact O-ND2 2.98Å; A79-N84 PolarHBondContact O-N 3.36Å; S82-N84 VanDerWaalsContact C-N 3.26Å; S82-N84 PolarHBondContact O-N 3.48Å; S82-N84 WeakPolarHBondContact OG-CB 3.48Å; N84-T86 PolarHBondContact O-N 2.96Å; N84-N87 HydrophobicContact CB-CB 4.16Å; N84-N87 PolarHBondContact ND2-ND2 3.11Å; N84-N87 VanDerWaalsContact ND2-ND2 3.11Å; N84-N87 PolarHBondContact O-N 2.94Å; N84-N87 WeakPolarHBondContact OD1-CB 3.47Å; N84-N87 VanDerWaalsContact OD1-CG 3.29Å; N84-N87 PolarHBondContact OD1-N 3.4Å; N84-N87 VanDerWaalsContact OD1-N 3.13Å; N84-A88 WeakPolarHBondContact O-CB 3.13Å; N84-A88 PolarHBondContact O-N 2.95Å
85E98.3Very high96.9Very high93 Ų9335.9 Ų35.944%0.43521%0.205SC..Hα-helixtrans-58.5-48-172.2-60.9176.5-17400113G83 N87 A88 Q89 S119 I120 M123G83-E85 PolarHBondContact O-N 2.88Å; E85-N87 VanDerWaalsContact C-N 3.33Å; E85-N87 PolarHBondContact O-N 3.17Å; E85-A88 PolarHBondContact O-N 3.08Å; E85-Q89 VanDerWaalsContact O-CB 3.31Å; E85-Q89 WeakPolarHBondContact O-CB 3.41Å; E85-Q89 PolarHBondContact O-N 3.21Å; E85-S119 WeakPolarHBondContact OE1-CB 3.24Å; E85-S119 PolarHBondContact OE1-OG 2.79Å; E85-I120 HydrophobicContact CB-CD1 4.04Å; E85-I120 HydrophobicContact CG-CD1 3.68Å; E85-M123 HydrophobicContact CB-CE 4.11Å
86T98.3Very high96.6Very high73 Ų7336.7 Ų36.745%0.44821%0.21SC..Hα-helixtrans-62.1-42-179.7-51.70000111.5P52 N84 Q89 M90P52-T86 HydrophobicContact CB-CG2 3.75Å; P52-T86 HydrophobicContact CG-CG2 3.71Å; N84-T86 PolarHBondContact O-N 2.96Å; T86-Q89 PolarHBondContact O-N 3.17Å; T86-M90 HydrophobicContact CG2-SD 4.26Å; T86-M90 WeakPolarHBondContact O-CB 3.09Å; T86-M90 VanDerWaalsContact O-CG 3.26Å; T86-M90 WeakPolarHBondContact O-CG 3.31Å; T86-M90 PolarHBondContact O-N 3.32Å
87N98.1Very high96.4Very high0 Ų041.4 Ų41.40%024%0.235CC..Hα-helixtrans-71-42179-74.1-7.6000112.3C47 S48 G50 P52 L55 A79 N84 E85 Q89 M90 L91C47-N87 PolarHBondContact O-ND2 3.22Å; S48-N87 VanDerWaalsContact C-ND2 3.27Å; S48-N87 VanDerWaalsContact O-CB 3.3Å; S48-N87 WeakPolarHBondContact O-CB 3.29Å; S48-N87 PolarHBondContact O-ND2 3.07Å; G50-N87 PolarHBondContact O-ND2 2.86Å; P52-N87 WeakPolarHBondContact CA-OD1 3.14Å; P52-N87 WeakPolarHBondContact CB-OD1 3.49Å; P52-N87 WeakPolarHBondContact CG-OD1 3.41Å; L55-N87 HydrophobicContact CD2-CB 3.54Å; L55-N87 VanDerWaalsContact CD2-CG 3.45Å; L55-N87 WeakPolarHBondContact CD2-OD1 3.37Å; A79-N87 HydrophobicContact CB-CB 4.34Å; N84-N87 HydrophobicContact CB-CB 4.16Å; N84-N87 PolarHBondContact ND2-ND2 3.11Å; N84-N87 VanDerWaalsContact ND2-ND2 3.11Å; N84-N87 PolarHBondContact O-N 2.94Å; N84-N87 WeakPolarHBondContact OD1-CB 3.47Å; N84-N87 VanDerWaalsContact OD1-CG 3.29Å; N84-N87 PolarHBondContact OD1-N 3.4Å; N84-N87 VanDerWaalsContact OD1-N 3.13Å; E85-N87 VanDerWaalsContact C-N 3.33Å; E85-N87 PolarHBondContact O-N 3.17Å; N87-Q89 VanDerWaalsContact C-N 3.29Å; N87-Q89 PolarHBondContact O-N 3.33Å; N87-M90 PolarHBondContact O-N 3.48Å; N87-L91 WeakPolarHBondContact O-CD1 3.45Å; N87-L91 VanDerWaalsContact O-CG 3.24Å; N87-L91 WeakPolarHBondContact O-CG 3.25Å; N87-L91 PolarHBondContact O-N 3.36Å
88A98.3Very high96.3Very high0 Ų042.2 Ų42.20%024%0.24CC..Hα-helixtrans-58-46.5174.500000110.4L76 A79 N84 E85 M90 L91 L92 I120 M123L76-A88 HydrophobicContact CD1-CB 4.38Å; A79-A88 HydrophobicContact CB-CB 3.98Å; N84-A88 WeakPolarHBondContact O-CB 3.13Å; N84-A88 PolarHBondContact O-N 2.95Å; E85-A88 PolarHBondContact O-N 3.08Å; A88-M90 PolarHBondContact O-N 3.38Å; A88-L91 PolarHBondContact O-N 2.91Å; A88-L92 VanDerWaalsContact O-CG 3.27Å; A88-L92 WeakPolarHBondContact O-CG 3.06Å; A88-L92 PolarHBondContact O-N 3.44Å; A88-I120 HydrophobicContact CB-CD1 3.81Å; A88-I120 HydrophobicContact CB-CG2 4.41Å; A88-M123 HydrophobicContact CB-CE 3.99Å
89Q97.8Very high96.2Very high85 Ų8543.4 Ų43.440%0.39725%0.247SC..Hα-helixtrans-61.2-44.8176.9-168.4178.15000112.4E85 T86 N87 L91 L92 Y93 M123E85-Q89 VanDerWaalsContact O-CB 3.31Å; E85-Q89 WeakPolarHBondContact O-CB 3.41Å; E85-Q89 PolarHBondContact O-N 3.21Å; T86-Q89 PolarHBondContact O-N 3.17Å; N87-Q89 VanDerWaalsContact C-N 3.29Å; N87-Q89 PolarHBondContact O-N 3.33Å; Q89-L91 VanDerWaalsContact C-N 3.29Å; Q89-L91 PolarHBondContact O-N 2.94Å; Q89-L92 PolarHBondContact O-N 3.28Å; Q89-Y93 HydrophobicContact CG-CD2 3.85Å; Q89-Y93 HydrophobicContact CG-CE2 3.41Å; Q89-Y93 VanDerWaalsContact CG-CE2 3.41Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.34Å; Q89-Y93 PolarHBondContact O-N 3.38Å; Q89-M123 HydrophobicContact CB-SD 3.8Å; Q89-M123 HydrophobicContact CG-SD 4.21Å
90M97.3Very high96.1Very high40 Ų4045.3 Ų45.320%0.19726%0.257CS..Hα-helixtrans-59.2-39.3175.6-77.9172.950.200112.7P52 L55 Q56 T86 N87 A88 A94P52-M90 HydrophobicContact CB-SD 3.98Å; L55-M90 HydrophobicContact CB-CE 4.14Å; L55-M90 HydrophobicContact CD2-CE 4.06Å; L55-M90 HydrophobicContact CG-CE 4Å; Q56-M90 HydrophobicContact CB-CE 3.57Å; Q56-M90 HydrophobicContact CG-CE 4.28Å; T86-M90 HydrophobicContact CG2-SD 4.26Å; T86-M90 WeakPolarHBondContact O-CB 3.09Å; T86-M90 VanDerWaalsContact O-CG 3.26Å; T86-M90 WeakPolarHBondContact O-CG 3.31Å; T86-M90 PolarHBondContact O-N 3.32Å; N87-M90 PolarHBondContact O-N 3.48Å; A88-M90 PolarHBondContact O-N 3.38Å; M90-A94 PolarHBondContact O-N 3.24Å
91L97.5Very high96Very high0 Ų049 Ų490%028%0.28CS..Hα-helixtrans-70.4-42.1177.6-67164.7000111.3L55 I59 I65 A75 L76 A79 N87 A88 Q89 Y93 A94 V96L55-L91 HydrophobicContact CD1-CD2 4.48Å; L55-L91 HydrophobicContact CD2-CD1 4.49Å; L55-L91 HydrophobicContact CD2-CD2 4.45Å; L55-L91 HydrophobicContact CD2-CG 4.23Å; I59-L91 HydrophobicContact CD1-CD2 4.2Å; I65-L91 HydrophobicContact CD1-CD2 3.71Å; I65-L91 HydrophobicContact CG1-CD2 3.7Å; A75-L91 HydrophobicContact CB-CD1 3.98Å; A75-L91 HydrophobicContact CB-CD2 3.79Å; A75-L91 WeakPolarHBondContact O-CD1 3.46Å; L76-L91 HydrophobicContact CB-CD1 4.46Å; L76-L91 HydrophobicContact CD1-CB 4.25Å; A79-L91 HydrophobicContact CB-CD1 3.84Å; N87-L91 WeakPolarHBondContact O-CD1 3.45Å; N87-L91 VanDerWaalsContact O-CG 3.24Å; N87-L91 WeakPolarHBondContact O-CG 3.25Å; N87-L91 PolarHBondContact O-N 3.36Å; A88-L91 PolarHBondContact O-N 2.91Å; Q89-L91 VanDerWaalsContact C-N 3.29Å; Q89-L91 PolarHBondContact O-N 2.94Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 2.99Å; L91-A94 WeakPolarHBondContact O-CB 3.26Å; L91-A94 PolarHBondContact O-N 3.38Å; L91-A94 VanDerWaalsContact O-N 3.1Å; L91-V96 WeakPolarHBondContact O-CG1 3.17Å; L91-V96 WeakPolarHBondContact O-CG2 3.2Å
92L96.6Very high96Very high13 Ų1348.3 Ų48.37%0.06828%0.276CS..Hα-helixtrans-59.6-42.5175.2-69.7168.6000111.8L76 A88 Q89 A94 G95 V96 V98 M123 L124 N127L76-L92 HydrophobicContact CD1-CD2 4.33Å; L76-L92 HydrophobicContact CD1-CG 4.23Å; L76-L92 HydrophobicContact CD2-CD2 3.93Å; A88-L92 VanDerWaalsContact O-CG 3.27Å; A88-L92 WeakPolarHBondContact O-CG 3.06Å; A88-L92 PolarHBondContact O-N 3.44Å; Q89-L92 PolarHBondContact O-N 3.28Å; L92-A94 PolarHBondContact O-N 2.96Å; L92-G95 PolarHBondContact O-N 3.3Å; L92-V96 HydrophobicContact CD2-CG2 4.27Å; L92-V98 HydrophobicContact CD2-CG1 3.51Å; L92-M123 HydrophobicContact CD1-CB 3.97Å; L92-L124 HydrophobicContact CD2-CD2 4.15Å; L92-N127 HydrophobicContact CD2-CB 4.19Å
93Y94.7Very high96Very high184 Ų18452.1 Ų52.172%0.72229%0.287SS*.Hα-helixtrans-62.4-21.9175.8-79.2-51.3000114.5Q89 L91 G95Q89-Y93 HydrophobicContact CG-CD2 3.85Å; Q89-Y93 HydrophobicContact CG-CE2 3.41Å; Q89-Y93 VanDerWaalsContact CG-CE2 3.41Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.34Å; Q89-Y93 PolarHBondContact O-N 3.38Å; L91-Y93 VanDerWaalsContact C-N 3.33Å; L91-Y93 PolarHBondContact O-N 2.99Å; Y93-G95 PolarHBondContact O-N 3.05Å
94A92.5Very high95.9Very high55 Ų5555.9 Ų55.946%0.45530%0.303SS..THydrogen-bonded Turntrans-81.54176.100000113.3I65 M90 L91 L92I65-A94 HydrophobicContact CD1-CB 3.26Å; M90-A94 PolarHBondContact O-N 3.24Å; L91-A94 WeakPolarHBondContact O-CB 3.26Å; L91-A94 PolarHBondContact O-N 3.38Å; L91-A94 VanDerWaalsContact O-N 3.1Å; L92-A94 PolarHBondContact O-N 2.96Å
95G87.4Confident95.9Very high66 Ų6655 Ų5568%0.6830%0.302SS*.THydrogen-bonded Turntrans77.128.6174.300000113.9L92 Y93L92-G95 PolarHBondContact O-N 3.3Å; Y93-G95 PolarHBondContact O-N 3.05Å
96V91.9Very high95.9Very high18 Ų1852.3 Ų52.311%0.10929%0.287CS..  trans-62.6146.3173.7-62.40000110.9I65 L76 L91 L92 V98I65-V96 HydrophobicContact CB-CG1 4.49Å; I65-V96 HydrophobicContact CD1-CG1 3.37Å; I65-V96 HydrophobicContact CG1-CG1 3.58Å; I65-V96 HydrophobicContact CG2-CG1 4.18Å; L76-V96 HydrophobicContact CD2-CG2 3.68Å; L91-V96 WeakPolarHBondContact O-CG1 3.17Å; L91-V96 WeakPolarHBondContact O-CG2 3.2Å; L92-V96 HydrophobicContact CD2-CG2 4.27Å; V96-V98 PolarHBondContact O-N 3.38Å
97N93.6Very high95.9Very high100 Ų10048.8 Ų48.854%0.53527%0.266SS..  trans-67.4119.2169.3179.78.8000109.3D99 I100N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact OD1-N 2.68Å; N97-D99 VanDerWaalsContact OD1-N 3.1Å; N97-I100 VanDerWaalsContact O-CG2 3.24Å; N97-I100 WeakPolarHBondContact O-CG2 3.38Å
98V95.5Very high95.9Very high17 Ų1748.8 Ų48.810%0.10327%0.266CS..THydrogen-bonded Turntrans-71.2-27.2-178.3-65.10000113.6L92 V96 P108 N127L92-V98 HydrophobicContact CD2-CG1 3.51Å; V96-V98 PolarHBondContact O-N 3.38Å; V98-P108 WeakPolarHBondContact O-CD 3.39Å; V98-N127 HydrophobicContact CG1-CB 3.83Å
99D97.1Very high95.9Very high42 Ų4248.8 Ų48.823%0.22527%0.266CS..THydrogen-bonded Turntrans-101.224-177.1-76.9-15000112.3N97 S129 S130 L133N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact OD1-N 2.68Å; N97-D99 VanDerWaalsContact OD1-N 3.1Å; D99-S129 WeakPolarHBondContact OD1-CA 3.46Å; D99-S129 WeakPolarHBondContact OD1-CB 3.42Å; D99-S129 PolarHBondContact OD1-OG 3.46Å; D99-S130 PolarHBondContact OD1-N 2.87Å; D99-S130 WeakPolarHBondContact OD2-CB 3.46Å; D99-S130 PolarHBondContact OD2-N 3.26Å; D99-S130 VanDerWaalsContact OD2-N 3.13Å; D99-L133 HydrophobicContact CB-CD1 3.65Å; D99-L133 VanDerWaalsContact CG-CD1 3.47Å
100I95.5Very high96Very high40 Ų4044.8 Ų44.821%0.20525%0.247CC..  trans-62.5136.7170.3-174.7146.7000110.2T74 H77 N97 T107 P108T74-I100 HydrophobicContact CG2-CD1 3.48Å; T74-I100 VanDerWaalsContact CG2-CD1 3.48Å; T74-I100 HydrophobicContact CG2-CG1 3.99Å; T74-I100 HydrophobicContact CG2-CG2 4.16Å; H77-I100 PolarHBondContact CE1-O 3.5Å; H77-I100 PolarHBondContact NE2-O 3.35Å; N97-I100 VanDerWaalsContact O-CG2 3.24Å; N97-I100 WeakPolarHBondContact O-CG2 3.38Å; I100-T107 VanDerWaalsContact O-CA 3.3Å; I100-T107 WeakPolarHBondContact O-CA 3.26Å; I100-P108 HydrophobicContact CG2-CG 4.25Å; I100-P108 WeakPolarHBondContact O-CD 3.2Å
101V97.2Very high96.1Very high79 Ų7943 Ų4348%0.47924%0.238SC..  trans-111.8140.3-179.3-66.70000112.2W106 T107V101-W106 CarbonylContact C-O 3.59Å; V101-W106 VanDerWaalsContact CA-O 3.3Å; V101-W106 WeakPolarHBondContact CA-O 3.33Å; V101-T107 HydrophobicContact CG1-CG2 3.66Å
102N97.2Very high96.1Very high18 Ų1843 Ų4310%0.09624%0.238CC..  trans-81.6-173.9171.175.67.3000112.4G72 N73 N104 G105 W106G72-N102 WeakPolarHBondContact O-CA 3.46Å; G72-N102 WeakPolarHBondContact O-CB 3.47Å; N73-N102 WeakPolarHBondContact OD1-CB 3.4Å; N73-N102 PolarHBondContact OD1-ND2 3.25Å; N102-N104 PolarHBondContact O-N 3.21Å; N102-N104 VanDerWaalsContact O-N 3.13Å; N102-N104 WeakPolarHBondContact OD1-CA 3.42Å; N102-N104 WeakPolarHBondContact OD1-CB 3.3Å; N102-N104 PolarHBondContact OD1-N 2.95Å; N102-G105 PolarHBondContact O-N 2.9Å; N102-G105 PolarHBondContact OD1-N 3.36Å; N102-W106 PolarHBondContact N-O 3.21Å; N102-W106 WeakPolarHBondContact OD1-CB 3.5Å; N102-W106 PolarHBondContact OD1-N 3.22Å
103K96.9Very high96.2Very high124 Ų12442.4 Ų42.454%0.53924%0.235SC..THydrogen-bonded Turntrans-62.7-18.2179-72.1-178.6178.6-179.10114S70 G71 K136S70-K103 WeakPolarHBondContact O-CD 3.46Å; S70-K103 WeakPolarHBondContact O-CE 3.29Å; S70-K103 PolarHBondContact O-NZ 2.92Å; G71-K103 WeakPolarHBondContact O-CB 3.31Å; G71-K103 VanDerWaalsContact O-CG 3.26Å; G71-K103 WeakPolarHBondContact O-CG 3.21Å; G71-K103 PolarHBondContact O-N 2.98Å; K103-K136 VanDerWaalsContact O-CD 3.31Å; K103-K136 WeakPolarHBondContact O-CD 3.24Å; K103-K136 WeakPolarHBondContact O-CE 3.44Å; K103-K136 PolarHBondContact O-NZ 2.9Å
104N95.3Very high96.4Very high97 Ų9735.1 Ų35.152%0.51921%0.207SC..THydrogen-bonded Turntrans-94.32.5175.9-66.6-22.9000112.6N102 W106 K136N102-N104 PolarHBondContact O-N 3.21Å; N102-N104 VanDerWaalsContact O-N 3.13Å; N102-N104 WeakPolarHBondContact OD1-CA 3.42Å; N102-N104 WeakPolarHBondContact OD1-CB 3.3Å; N102-N104 PolarHBondContact OD1-N 2.95Å; N104-W106 HydrophobicContact CB-CG 4.39Å; N104-K136 WeakPolarHBondContact O-CB 3.44Å; N104-K136 WeakPolarHBondContact O-CG 3.3Å; N104-K136 PolarHBondContact O-N 2.98Å
105G96.5Very high96.7Very high12 Ų1236.1 Ų36.112%0.12420%0.199CC..SBendtrans7514.9-173.500000113.1N102 N135N102-G105 PolarHBondContact O-N 2.9Å; N102-G105 PolarHBondContact OD1-N 3.36Å; G105-N135 WeakPolarHBondContact O-CA 3.35Å
106W98.5Very high97.2Very high35 Ų3533.1 Ų33.113%0.13317%0.167CC..  trans-84.3129.7177.2-71.845000108.9H77 V101 N102 N104 F110 N111 Y114 N135 E144H77-W106 PolarHBondContact NE2-O 3.18Å; V101-W106 CarbonylContact C-O 3.59Å; V101-W106 VanDerWaalsContact CA-O 3.3Å; V101-W106 WeakPolarHBondContact CA-O 3.33Å; N102-W106 PolarHBondContact N-O 3.21Å; N102-W106 WeakPolarHBondContact OD1-CB 3.5Å; N102-W106 PolarHBondContact OD1-N 3.22Å; N104-W106 HydrophobicContact CB-CG 4.39Å; W106-F110 HydrophobicContact CB-CB 4.1Å; W106-F110 HydrophobicContact CB-CD2 4.39Å; W106-F110 HydrophobicContact CB-CG 4.47Å; W106-F110 HydrophobicContact CD2-CB 3.76Å; W106-F110 HydrophobicContact CD2-CG 4.36Å; W106-F110 HydrophobicContact CE3-CB 3.35Å; W106-F110 HydrophobicContact CE3-CG 4.37Å; W106-F110 HydrophobicContact CG-CB 4.12Å; W106-F110 HydrophobicContact CG-CG 4.43Å; W106-F110 HydrophobicContact CZ3-CB 3.95Å; W106-N111 VanDerWaalsContact CE3-OD1 3.24Å; W106-Y114 HydrophobicContact CH2-CD1 4.09Å; W106-Y114 AromaticContact CH2-CD2 3.84Å; W106-Y114 HydrophobicContact CH2-CD2 3.84Å; W106-Y114 HydrophobicContact CH2-CE2 4.46Å; W106-Y114 AromaticContact CH2-CG 3.63Å; W106-Y114 HydrophobicContact CH2-CG 3.63Å; W106-Y114 HydrophobicContact CZ3-CD1 4.25Å; W106-Y114 AromaticContact CZ3-CG 3.91Å; W106-Y114 HydrophobicContact CZ3-CG 3.91Å; W106-N135 PolarHBondContact NE1-ND2 3.22Å; W106-E144 HydrophobicContact CH2-CG 4.36Å; W106-E144 HydrophobicContact CZ2-CG 4.22Å
107T98.5Very high97.5Very high0 Ų034.4 Ų34.40%017%0.172CC..  trans-82.2165.2159.668.70000111.6I100 V101 L109 F110 N111 L133I100-T107 VanDerWaalsContact O-CA 3.3Å; I100-T107 WeakPolarHBondContact O-CA 3.26Å; V101-T107 HydrophobicContact CG1-CG2 3.66Å; T107-L109 PolarHBondContact O-N 2.66Å; T107-L109 VanDerWaalsContact O-N 3.13Å; T107-L109 PolarHBondContact OG1-N 2.87Å; T107-F110 HydrophobicContact CG2-CD2 4.44Å; T107-F110 VanDerWaalsContact N-CD2 3.27Å; T107-F110 WeakPolarHBondContact O-CB 3.31Å; T107-F110 PolarHBondContact O-N 2.79Å; T107-F110 WeakPolarHBondContact OG1-CD2 3.32Å; T107-N111 PolarHBondContact O-N 2.85Å; T107-L133 HydrophobicContact CG2-CB 4.5Å; T107-L133 HydrophobicContact CG2-CD1 3.64Å
108P98.6Very high97.7Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-53.4-29170-28.235.7000114.2L76 A80 V98 I100 N111 A112 L124L76-P108 HydrophobicContact CB-CG 4.13Å; L76-P108 HydrophobicContact CD2-CB 4.1Å; L76-P108 HydrophobicContact CD2-CG 3.74Å; L76-P108 HydrophobicContact CG-CB 3.8Å; L76-P108 HydrophobicContact CG-CG 3.67Å; A80-P108 HydrophobicContact CB-CB 4.11Å; A80-P108 VanDerWaalsContact CB-O 3.32Å; A80-P108 WeakPolarHBondContact CB-O 3.46Å; V98-P108 WeakPolarHBondContact O-CD 3.39Å; I100-P108 HydrophobicContact CG2-CG 4.25Å; I100-P108 WeakPolarHBondContact O-CD 3.2Å; P108-N111 WeakPolarHBondContact O-CB 3.45Å; P108-N111 PolarHBondContact O-N 3.01Å; P108-A112 PolarHBondContact O-N 3.43Å; P108-L124 HydrophobicContact CB-CD1 3.98Å; P108-L124 HydrophobicContact CB-CD2 3.97Å; P108-L124 WeakPolarHBondContact O-CD1 3.36Å
109L98.8Very high97.9Very high0 Ų031.1 Ų31.10%016%0.157CC..Hα-helixtrans-65.5-39177179.461.5000111.7T107 N111 A112 V113 A121 L124 L125 P141 L163T107-L109 PolarHBondContact O-N 2.66Å; T107-L109 VanDerWaalsContact O-N 3.13Å; T107-L109 PolarHBondContact OG1-N 2.87Å; L109-N111 VanDerWaalsContact C-N 3.33Å; L109-N111 PolarHBondContact O-N 3.41Å; L109-A112 PolarHBondContact O-N 2.92Å; L109-V113 HydrophobicContact CD1-CG1 4.02Å; L109-V113 WeakPolarHBondContact O-CG2 2.88Å; L109-V113 PolarHBondContact O-N 3.27Å; L109-A121 HydrophobicContact CD1-CB 4.04Å; L109-L124 HydrophobicContact CB-CD1 4.27Å; L109-L124 HydrophobicContact CD1-CB 4.38Å; L109-L125 HydrophobicContact CD1-CD2 4.21Å; L109-L125 HydrophobicContact CD1-CG 4.13Å; L109-L125 HydrophobicContact CD2-CD2 3.69Å; L109-L125 HydrophobicContact CD2-CG 4.49Å; L109-P141 HydrophobicContact CD2-CB 4.24Å; L109-P141 HydrophobicContact CD2-CG 3.87Å; L109-P141 HydrophobicContact CG-CB 4.2Å; L109-P141 HydrophobicContact CG-CG 4.07Å; L109-L163 HydrophobicContact CD2-CD2 4.33Å
110F98.8Very high98Very high0 Ų029.1 Ų29.10%015%0.147CC..Hα-helixtrans-59.7-44.7172.9-74.1-82.6000111.8W106 T107 A112 V113 Y114 L133 N135 R139 P141 E144W106-F110 HydrophobicContact CB-CB 4.1Å; W106-F110 HydrophobicContact CB-CD2 4.39Å; W106-F110 HydrophobicContact CB-CG 4.47Å; W106-F110 HydrophobicContact CD2-CB 3.76Å; W106-F110 HydrophobicContact CD2-CG 4.36Å; W106-F110 HydrophobicContact CE3-CB 3.35Å; W106-F110 HydrophobicContact CE3-CG 4.37Å; W106-F110 HydrophobicContact CG-CB 4.12Å; W106-F110 HydrophobicContact CG-CG 4.43Å; W106-F110 HydrophobicContact CZ3-CB 3.95Å; T107-F110 HydrophobicContact CG2-CD2 4.44Å; T107-F110 VanDerWaalsContact N-CD2 3.27Å; T107-F110 WeakPolarHBondContact O-CB 3.31Å; T107-F110 PolarHBondContact O-N 2.79Å; T107-F110 WeakPolarHBondContact OG1-CD2 3.32Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 3.36Å; F110-V113 PolarHBondContact O-N 3.13Å; F110-Y114 WeakPolarHBondContact O-CB 3.47Å; F110-Y114 PolarHBondContact O-N 2.74Å; F110-L133 WeakPolarHBondContact CZ-O 3.43Å; F110-N135 HydrophobicContact CE1-CB 4.16Å; F110-N135 HydrophobicContact CE2-CB 4.37Å; F110-N135 HydrophobicContact CZ-CB 3.87Å; F110-R139 VanDerWaalsContact CE1-O 3.3Å; F110-R139 WeakPolarHBondContact CE1-O 3.32Å; F110-R139 VanDerWaalsContact CZ-O 3.24Å; F110-R139 WeakPolarHBondContact CZ-O 3.5Å; F110-P141 HydrophobicContact CD1-CB 4.46Å; F110-P141 HydrophobicContact CD1-CG 4.1Å; F110-P141 HydrophobicContact CD2-CG 4.37Å; F110-P141 HydrophobicContact CE1-CG 4.07Å; F110-P141 HydrophobicContact CE2-CG 4.34Å; F110-P141 HydrophobicContact CG-CG 4.34Å; F110-P141 HydrophobicContact CZ-CG 4.22Å; F110-E144 HydrophobicContact CD1-CB 3.99Å; F110-E144 HydrophobicContact CD1-CG 3.47Å; F110-E144 VanDerWaalsContact CD1-CG 3.47Å; F110-E144 HydrophobicContact CE1-CG 3.78Å
111N98.7Very high98.1Very high3 Ų327.2 Ų27.22%0.01614%0.137CC..Hα-helixtrans-59.6-46.2175.7-70.823.4000110.7H77 A80 M81 W106 T107 P108 L109 V113 W115H77-N111 PolarHBondContact O-ND2 2.94Å; A80-N111 HydrophobicContact CB-CB 3.95Å; M81-N111 HydrophobicContact CB-CB 4.31Å; M81-N111 WeakPolarHBondContact CE-ND2 3.4Å; W106-N111 VanDerWaalsContact CE3-OD1 3.24Å; T107-N111 PolarHBondContact O-N 2.85Å; P108-N111 WeakPolarHBondContact O-CB 3.45Å; P108-N111 PolarHBondContact O-N 3.01Å; L109-N111 VanDerWaalsContact C-N 3.33Å; L109-N111 PolarHBondContact O-N 3.41Å; N111-V113 PolarHBondContact O-N 3.33Å; N111-W115 WeakPolarHBondContact O-CB 3.24Å; N111-W115 PolarHBondContact O-N 3.13Å
112A98.7Very high98.2Very high0 Ų028.2 Ų28.20%014%0.136CC..Hα-helixtrans-59.2-45.6-179.100000112.5A80 P108 L109 F110 N116 H117 I120 A121 L124A80-A112 HydrophobicContact CB-CB 4.42Å; P108-A112 PolarHBondContact O-N 3.43Å; L109-A112 PolarHBondContact O-N 2.92Å; F110-A112 VanDerWaalsContact C-N 3.33Å; F110-A112 PolarHBondContact O-N 3.36Å; A112-N116 PolarHBondContact O-N 3.41Å; A112-H117 PolarHBondContact O-N 2.81Å; A112-I120 HydrophobicContact CB-CB 3.94Å; A112-I120 HydrophobicContact CB-CG2 3.76Å; A112-A121 HydrophobicContact CB-CB 4.07Å; A112-L124 HydrophobicContact CB-CD1 3.9Å
113V98.6Very high98.2Very high0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-79.8-39.8-176.6-56.90000112.6L109 F110 N111 W115 N116 A121 P141 L145 L163L109-V113 HydrophobicContact CD1-CG1 4.02Å; L109-V113 WeakPolarHBondContact O-CG2 2.88Å; L109-V113 PolarHBondContact O-N 3.27Å; F110-V113 PolarHBondContact O-N 3.13Å; N111-V113 PolarHBondContact O-N 3.33Å; V113-W115 PolarHBondContact O-N 3.47Å; V113-N116 PolarHBondContact O-N 2.97Å; V113-N116 VanDerWaalsContact O-N 3.08Å; V113-A121 HydrophobicContact CG1-CB 4.01Å; V113-P141 HydrophobicContact CG2-CB 3.99Å; V113-P141 WeakPolarHBondContact CG2-O 3.21Å; V113-L145 HydrophobicContact CB-CB 4.29Å; V113-L145 HydrophobicContact CB-CD1 4.44Å; V113-L145 HydrophobicContact CG2-CB 4.45Å; V113-L163 HydrophobicContact CG1-CD1 4.15Å; V113-L163 HydrophobicContact CG1-CD2 4.29Å; V113-L163 HydrophobicContact CG1-CG 4.35Å
114Y98.5Very high98.3Very high31 Ų3123.2 Ų23.212%0.12212%0.115CC..Hα-helixtrans-64.4-41.1178.5-179.8-95000111.6W106 F110 N116 E144 R147 T148W106-Y114 HydrophobicContact CH2-CD1 4.09Å; W106-Y114 AromaticContact CH2-CD2 3.84Å; W106-Y114 HydrophobicContact CH2-CD2 3.84Å; W106-Y114 HydrophobicContact CH2-CE2 4.46Å; W106-Y114 AromaticContact CH2-CG 3.63Å; W106-Y114 HydrophobicContact CH2-CG 3.63Å; W106-Y114 HydrophobicContact CZ3-CD1 4.25Å; W106-Y114 AromaticContact CZ3-CG 3.91Å; W106-Y114 HydrophobicContact CZ3-CG 3.91Å; F110-Y114 WeakPolarHBondContact O-CB 3.47Å; F110-Y114 PolarHBondContact O-N 2.74Å; Y114-N116 PolarHBondContact O-N 3.36Å; Y114-E144 HydrophobicContact CD2-CB 4.46Å; Y114-E144 WeakPolarHBondContact CD2-O 3.4Å; Y114-R147 HydrophobicContact CE2-CB 4.29Å; Y114-R147 WeakPolarHBondContact CE2-O 3.36Å; Y114-T148 WeakPolarHBondContact O-CB 3.47Å; Y114-T148 PolarHBondContact O-OG1 3.11Å
115W98Very high98.5Very high76 Ų7619.7 Ų19.729%0.28810%0.096SC..THydrogen-bonded Turntrans-867.4175.6-62.5106.1000113.4M81 N111 V113 H117 E407M81-W115 HydrophobicContact CG-CG 4.35Å; N111-W115 WeakPolarHBondContact O-CB 3.24Å; N111-W115 PolarHBondContact O-N 3.13Å; V113-W115 PolarHBondContact O-N 3.47Å; W115-H117 PolarHBondContact O-NE2 3.38Å; W115-E407 HydrophobicContact CH2-CG 4.25Å; W115-E407 VanDerWaalsContact CH2-OE1 3.29Å; W115-E407 WeakPolarHBondContact CH2-OE1 3.45Å
116N98.4Very high98.5Very high4 Ų423.1 Ų23.12%0.02112%0.123CC..THydrogen-bonded Turntrans59.647.5172-162.231.2000115.4A112 V113 Y114 P118 S150 D152 R155 I156 N159A112-N116 PolarHBondContact O-N 3.41Å; V113-N116 PolarHBondContact O-N 2.97Å; V113-N116 VanDerWaalsContact O-N 3.08Å; Y114-N116 PolarHBondContact O-N 3.36Å; N116-P118 VanDerWaalsContact C-CD 3.49Å; N116-P118 WeakPolarHBondContact O-CD 3.46Å; N116-S150 PolarHBondContact ND2-OG 2.69Å; N116-D152 PolarHBondContact ND2-O 2.95Å; N116-D152 VanDerWaalsContact ND2-O 3.13Å; N116-R155 VanDerWaalsContact ND2-CB 3.25Å; N116-R155 WeakPolarHBondContact ND2-CB 3.38Å; N116-R155 WeakPolarHBondContact OD1-CB 3.49Å; N116-R155 PolarHBondContact OD1-O 3.33Å; N116-I156 VanDerWaalsContact OD1-CA 3.32Å; N116-I156 WeakPolarHBondContact OD1-CA 3.33Å; N116-I156 PolarHBondContact OD1-N 3.11Å; N116-I156 VanDerWaalsContact OD1-N 3.08Å; N116-N159 PolarHBondContact OD1-ND2 3.47Å
117H98.5Very high98.4Very high44 Ų4425.6 Ų25.620%0.20414%0.139CC..  trans-107.979.2178.4-61.8-56.1000112.1A80 M81 G83 A112 W115 S119 I120 A121A80-H117 PolarHBondContact O-CD2 2.77Å; M81-H117 PolarHBondContact O-NE2 3.41Å; G83-H117 VanDerWaalsContact CA-CD2 3.5Å; G83-H117 WeakPolarHBondContact CA-CD2 3.36Å; G83-H117 VanDerWaalsContact CA-CG 3.44Å; G83-H117 WeakPolarHBondContact CA-ND1 3.35Å; G83-H117 PolarHBondContact N-CD2 3.46Å; G83-H117 PolarHBondContact N-NE2 3.29Å; A112-H117 PolarHBondContact O-N 2.81Å; W115-H117 PolarHBondContact O-NE2 3.38Å; H117-S119 VanDerWaalsContact C-N 3.33Å; H117-S119 PolarHBondContact O-N 3.01Å; H117-I120 HydrophobicContact CB-CB 4.14Å; H117-I120 HydrophobicContact CB-CG1 3.8Å; H117-I120 PolarHBondContact O-N 3.34Å; H117-I120 VanDerWaalsContact O-N 3.09Å; H117-A121 PolarHBondContact O-N 3.45Å
118P98.7Very high98.2Very high12 Ų1228.2 Ų28.28%0.07817%0.165CC..Hα-helixtrans-60.2-35.6-174.122.1-33.1000114.6N116 I120 A121 E122 R155 K158 N159 L162N116-P118 VanDerWaalsContact C-CD 3.49Å; N116-P118 WeakPolarHBondContact O-CD 3.46Å; P118-I120 VanDerWaalsContact C-N 3.3Å; P118-I120 PolarHBondContact O-N 3.08Å; P118-A121 PolarHBondContact O-N 3.31Å; P118-E122 WeakPolarHBondContact O-CB 3.44Å; P118-E122 PolarHBondContact O-N 3.11Å; P118-R155 HydrophobicContact CG-CB 4.13Å; P118-R155 HydrophobicContact CG-CG 4.1Å; P118-K158 HydrophobicContact CB-CB 4.09Å; P118-K158 HydrophobicContact CB-CG 3.68Å; P118-K158 HydrophobicContact CG-CB 4.47Å; P118-K158 HydrophobicContact CG-CG 4.33Å; P118-N159 VanDerWaalsContact CA-OD1 3.24Å; P118-N159 WeakPolarHBondContact CA-OD1 3.33Å; P118-L162 HydrophobicContact CB-CD1 4.09Å; P118-L162 WeakPolarHBondContact O-CD1 3.27Å
119S98.7Very high98.2Very high36 Ų3628.3 Ų28.325%0.25217%0.166SC..Hα-helixtrans-62.1-37.8176.3-40.10000112.3E85 H117 M123E85-S119 WeakPolarHBondContact OE1-CB 3.24Å; E85-S119 PolarHBondContact OE1-OG 2.79Å; H117-S119 VanDerWaalsContact C-N 3.33Å; H117-S119 PolarHBondContact O-N 3.01Å; S119-M123 WeakPolarHBondContact O-CG 3.19Å; S119-M123 PolarHBondContact O-N 2.98Å; S119-M123 VanDerWaalsContact O-N 3.11Å
120I98.7Very high98Very high1 Ų129.9 Ų29.91%0.00518%0.177CC..Hα-helixtrans-71-44.6175.9-51.7-57.6000109.7A80 E85 A88 A112 H117 P118 E122 M123 L124A80-I120 HydrophobicContact CB-CG2 3.72Å; E85-I120 HydrophobicContact CB-CD1 4.04Å; E85-I120 HydrophobicContact CG-CD1 3.68Å; A88-I120 HydrophobicContact CB-CD1 3.81Å; A88-I120 HydrophobicContact CB-CG2 4.41Å; A112-I120 HydrophobicContact CB-CB 3.94Å; A112-I120 HydrophobicContact CB-CG2 3.76Å; H117-I120 HydrophobicContact CB-CB 4.14Å; H117-I120 HydrophobicContact CB-CG1 3.8Å; H117-I120 PolarHBondContact O-N 3.34Å; H117-I120 VanDerWaalsContact O-N 3.09Å; P118-I120 VanDerWaalsContact C-N 3.3Å; P118-I120 PolarHBondContact O-N 3.08Å; I120-E122 VanDerWaalsContact C-N 3.31Å; I120-E122 PolarHBondContact O-N 3.04Å; I120-M123 HydrophobicContact CD1-CE 3.49Å; I120-M123 VanDerWaalsContact CD1-CE 3.49Å; I120-M123 PolarHBondContact O-N 3.47Å; I120-L124 HydrophobicContact CG2-CD1 3.75Å; I120-L124 HydrophobicContact CG2-CG 4.26Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 3.24Å
121A98.8Very high97.8Very high0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-57.8-45.9178.100000110.9L109 A112 V113 H117 P118 M123 L124 L125 N159 L162L109-A121 HydrophobicContact CD1-CB 4.04Å; A112-A121 HydrophobicContact CB-CB 4.07Å; V113-A121 HydrophobicContact CG1-CB 4.01Å; H117-A121 PolarHBondContact O-N 3.45Å; P118-A121 PolarHBondContact O-N 3.31Å; A121-M123 PolarHBondContact O-N 3.02Å; A121-L124 PolarHBondContact O-N 3.43Å; A121-L125 WeakPolarHBondContact O-CB 3.5Å; A121-L125 WeakPolarHBondContact O-CG 3.31Å; A121-L125 PolarHBondContact O-N 3.37Å; A121-N159 VanDerWaalsContact CB-OD1 3.25Å; A121-N159 WeakPolarHBondContact CB-OD1 3.37Å; A121-L162 HydrophobicContact CB-CD1 4.49Å
122E98.6Very high97.6Very high100 Ų10033.3 Ų33.347%0.46719%0.192SC..Hα-helixtrans-58.5-47.8175.1-175.2170.6-134.300111.9P118 I120 L124 L125 A126 L162P118-E122 WeakPolarHBondContact O-CB 3.44Å; P118-E122 PolarHBondContact O-N 3.11Å; I120-E122 VanDerWaalsContact C-N 3.31Å; I120-E122 PolarHBondContact O-N 3.04Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 2.97Å; E122-L125 PolarHBondContact O-N 2.89Å; E122-A126 VanDerWaalsContact O-CB 3.24Å; E122-A126 WeakPolarHBondContact O-CB 3.02Å; E122-A126 PolarHBondContact O-N 3.44Å; E122-L162 HydrophobicContact CB-CD1 3.9Å; E122-L162 HydrophobicContact CB-CD2 3.96Å; E122-L162 HydrophobicContact CG-CD2 3.97Å
123M98.4Very high97.4Very high35 Ų3536.1 Ų36.117%0.17221%0.207CC..Hα-helixtrans-59.1-42.6175.8-76.4-168.9-66.900112.5E85 A88 Q89 L92 S119 I120 A121 N127E85-M123 HydrophobicContact CB-CE 4.11Å; A88-M123 HydrophobicContact CB-CE 3.99Å; Q89-M123 HydrophobicContact CB-SD 3.8Å; Q89-M123 HydrophobicContact CG-SD 4.21Å; L92-M123 HydrophobicContact CD1-CB 3.97Å; S119-M123 WeakPolarHBondContact O-CG 3.19Å; S119-M123 PolarHBondContact O-N 2.98Å; S119-M123 VanDerWaalsContact O-N 3.11Å; I120-M123 HydrophobicContact CD1-CE 3.49Å; I120-M123 VanDerWaalsContact CD1-CE 3.49Å; I120-M123 PolarHBondContact O-N 3.47Å; A121-M123 PolarHBondContact O-N 3.02Å; M123-N127 PolarHBondContact O-N 3.32Å; M123-N127 VanDerWaalsContact O-N 3.08Å; M123-N127 PolarHBondContact O-ND2 3.22Å
124L98.6Very high97.2Very high1 Ų141.8 Ų41.81%0.00523%0.232CC..Hα-helixtrans-66.9-46.2-179.9-70.9166.6000111.7L76 A80 L92 P108 L109 A112 I120 A121 E122 A126 N127 G128 S129L76-L124 HydrophobicContact CD1-CD2 4.35Å; L76-L124 HydrophobicContact CD2-CD2 3.97Å; L76-L124 HydrophobicContact CG-CD2 4.38Å; A80-L124 HydrophobicContact CB-CD1 4.47Å; L92-L124 HydrophobicContact CD2-CD2 4.15Å; P108-L124 HydrophobicContact CB-CD1 3.98Å; P108-L124 HydrophobicContact CB-CD2 3.97Å; P108-L124 WeakPolarHBondContact O-CD1 3.36Å; L109-L124 HydrophobicContact CB-CD1 4.27Å; L109-L124 HydrophobicContact CD1-CB 4.38Å; A112-L124 HydrophobicContact CB-CD1 3.9Å; I120-L124 HydrophobicContact CG2-CD1 3.75Å; I120-L124 HydrophobicContact CG2-CG 4.26Å; I120-L124 VanDerWaalsContact O-CG 3.3Å; I120-L124 WeakPolarHBondContact O-CG 3.48Å; I120-L124 PolarHBondContact O-N 3.24Å; A121-L124 PolarHBondContact O-N 3.43Å; E122-L124 VanDerWaalsContact C-N 3.33Å; E122-L124 PolarHBondContact O-N 2.97Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.22Å; L124-N127 CarbonylContact O-C 3.58Å; L124-N127 PolarHBondContact O-N 3.38Å; L124-N127 VanDerWaalsContact O-N 3.14Å; L124-G128 PolarHBondContact O-N 3.36Å; L124-S129 VanDerWaalsContact O-CB 3.24Å; L124-S129 WeakPolarHBondContact O-CB 3.43Å; L124-S129 PolarHBondContact O-N 3.27Å
125L98.3Very high97Very high23 Ų2340.7 Ų40.712%0.1223%0.228CC..Hα-helixtrans-62.8-41176.6-66168.7000111.2L109 A121 E122 N127 G128 P131 L162 C166L109-L125 HydrophobicContact CD1-CD2 4.21Å; L109-L125 HydrophobicContact CD1-CG 4.13Å; L109-L125 HydrophobicContact CD2-CD2 3.69Å; L109-L125 HydrophobicContact CD2-CG 4.49Å; A121-L125 WeakPolarHBondContact O-CB 3.5Å; A121-L125 WeakPolarHBondContact O-CG 3.31Å; A121-L125 PolarHBondContact O-N 3.37Å; E122-L125 PolarHBondContact O-N 2.89Å; L125-N127 PolarHBondContact O-N 3.28Å; L125-G128 PolarHBondContact O-N 3.13Å; L125-P131 HydrophobicContact CD2-CB 4.33Å; L125-L162 HydrophobicContact CD1-CB 3.94Å; L125-C166 HydrophobicContact CD1-CB 4.32Å; L125-C166 HydrophobicContact CD2-CB 3.94Å
126A96.8Very high96.8Very high85 Ų8544 Ų4470%0.70225%0.245SC*.Hα-helixtrans-64.6-27.1175.400000113.1E122 L124 G128E122-A126 VanDerWaalsContact O-CB 3.24Å; E122-A126 WeakPolarHBondContact O-CB 3.02Å; E122-A126 PolarHBondContact O-N 3.44Å; L124-A126 VanDerWaalsContact C-N 3.34Å; L124-A126 PolarHBondContact O-N 3.22Å; A126-G128 VanDerWaalsContact C-N 3.28Å
127N96.9Very high96.5Very high87 Ų8746.3 Ų46.347%0.46526%0.257SS..THydrogen-bonded Turntrans-89.912.9173.3-76.2-92.1000113.1L92 V98 M123 L124 L125L92-N127 HydrophobicContact CD2-CB 4.19Å; V98-N127 HydrophobicContact CG1-CB 3.83Å; M123-N127 PolarHBondContact O-N 3.32Å; M123-N127 VanDerWaalsContact O-N 3.08Å; M123-N127 PolarHBondContact O-ND2 3.22Å; L124-N127 CarbonylContact O-C 3.58Å; L124-N127 PolarHBondContact O-N 3.38Å; L124-N127 VanDerWaalsContact O-N 3.14Å; L125-N127 PolarHBondContact O-N 3.28Å
128G95Very high96.2Very high54 Ų5444.7 Ų44.756%0.55725%0.252SS*.THydrogen-bonded Turntrans87.118.317200000115L124 L125 A126 S130L124-G128 PolarHBondContact O-N 3.36Å; L125-G128 PolarHBondContact O-N 3.13Å; A126-G128 VanDerWaalsContact C-N 3.28Å; G128-S130 PolarHBondContact O-N 3.44Å
129S97.5Very high96.1Very high3 Ų344.3 Ų44.32%0.02125%0.249CC..  trans-64131.7173.9-171.40000110.9D99 L124D99-S129 WeakPolarHBondContact OD1-CA 3.46Å; D99-S129 WeakPolarHBondContact OD1-CB 3.42Å; D99-S129 PolarHBondContact OD1-OG 3.46Å; L124-S129 VanDerWaalsContact O-CB 3.24Å; L124-S129 WeakPolarHBondContact O-CB 3.43Å; L124-S129 PolarHBondContact O-N 3.27Å
130S95.9Very high95.9Very high33 Ų3342.9 Ų42.923%0.23124%0.238CC..  trans-77.4125.6-178.5174.60000112D99 G128 F132D99-S130 PolarHBondContact OD1-N 2.87Å; D99-S130 WeakPolarHBondContact OD2-CB 3.46Å; D99-S130 PolarHBondContact OD2-N 3.26Å; D99-S130 VanDerWaalsContact OD2-N 3.13Å; G128-S130 PolarHBondContact O-N 3.44Å; S130-F132 PolarHBondContact O-N 3.4Å; S130-F132 PolarHBondContact OG-N 3.26Å
131P94.7Very high95.9Very high1 Ų142.9 Ų42.91%0.00624%0.238CC..THydrogen-bonded Turntrans-79.74.2175.835.4-37.6000113.1L125 P141 L163 C166 M167L125-P131 HydrophobicContact CD2-CB 4.33Å; P131-P141 WeakPolarHBondContact O-CD 3.16Å; P131-L163 HydrophobicContact CB-CD2 4.19Å; P131-C166 HydrophobicContact CG-CB 4.28Å; P131-M167 HydrophobicContact CB-CG 3.75Å; P131-M167 HydrophobicContact CG-CG 3.65Å
132F93.8Very high95.8Very high73 Ų7342.9 Ų42.932%0.3224%0.238SC..THydrogen-bonded Turntrans-111.8-4-174.8-61.1-74.5000114.3S130 K134 M167 C170S130-F132 PolarHBondContact O-N 3.4Å; S130-F132 PolarHBondContact OG-N 3.26Å; F132-K134 PolarHBondContact O-N 2.65Å; F132-M167 HydrophobicContact CD1-CE 4.05Å; F132-M167 HydrophobicContact CE1-CB 4.13Å; F132-M167 HydrophobicContact CE1-CE 3.56Å; F132-M167 HydrophobicContact CE1-CG 3.88Å; F132-M167 HydrophobicContact CE2-CB 4.43Å; F132-M167 HydrophobicContact CE2-CG 4.33Å; F132-M167 HydrophobicContact CZ-CB 3.65Å; F132-M167 HydrophobicContact CZ-CE 4.33Å; F132-M167 HydrophobicContact CZ-CG 3.72Å; F132-C170 HydrophobicContact CE2-CB 3.74Å; F132-C170 HydrophobicContact CZ-CB 4.46Å
133L93.9Very high95.7Very high60 Ų6038.2 Ų38.231%0.31422%0.216SC..  trans-63.2136.7177.2-66.7174.3000110D99 T107 F110 I140D99-L133 HydrophobicContact CB-CD1 3.65Å; D99-L133 VanDerWaalsContact CG-CD1 3.47Å; T107-L133 HydrophobicContact CG2-CB 4.5Å; T107-L133 HydrophobicContact CG2-CD1 3.64Å; F110-L133 WeakPolarHBondContact CZ-O 3.43Å; L133-I140 WeakPolarHBondContact O-CA 3.3Å
134K95.1Very high95.7Very high119 Ų11936.5 Ų36.552%0.51721%0.208SC..  trans-100.6132.8179.5-68.5-178.8-179.4-175.40110.3F132 R139 I140F132-K134 PolarHBondContact O-N 2.65Å; K134-R139 CarbonylContact C-O 3.57Å; K134-R139 VanDerWaalsContact CA-O 3.28Å; K134-R139 WeakPolarHBondContact CA-O 3.36Å; K134-I140 HydrophobicContact CG-CG2 3.72Å
135N94.7Very high95.7Very high8 Ų836.5 Ų36.54%0.04321%0.208CC..  trans-74.6-179.3169.271.516.4000110.9G105 W106 F110 N137 G138 R139 E144G105-N135 WeakPolarHBondContact O-CA 3.35Å; W106-N135 PolarHBondContact NE1-ND2 3.22Å; F110-N135 HydrophobicContact CE1-CB 4.16Å; F110-N135 HydrophobicContact CE2-CB 4.37Å; F110-N135 HydrophobicContact CZ-CB 3.87Å; N135-N137 PolarHBondContact O-N 3.13Å; N135-N137 VanDerWaalsContact O-N 3.16Å; N135-N137 WeakPolarHBondContact OD1-CA 3.36Å; N135-N137 WeakPolarHBondContact OD1-CB 3.42Å; N135-N137 PolarHBondContact OD1-N 2.85Å; N135-G138 PolarHBondContact O-N 2.81Å; N135-G138 PolarHBondContact OD1-N 3.4Å; N135-R139 PolarHBondContact N-O 2.88Å; N135-R139 WeakPolarHBondContact OD1-CB 3.43Å; N135-R139 PolarHBondContact OD1-N 2.86Å; N135-R139 VanDerWaalsContact OD1-N 3.08Å; N135-E144 PolarHBondContact ND2-OE1 2.97Å
136K93.3Very high95.7Very high146 Ų14635.4 Ų35.464%0.63520%0.202SC*.THydrogen-bonded Turntrans-61.9-21180-77.6-171.3172.1177.40114.9K103 N104 G138K103-K136 VanDerWaalsContact O-CD 3.31Å; K103-K136 WeakPolarHBondContact O-CD 3.24Å; K103-K136 WeakPolarHBondContact O-CE 3.44Å; K103-K136 PolarHBondContact O-NZ 2.9Å; N104-K136 WeakPolarHBondContact O-CB 3.44Å; N104-K136 WeakPolarHBondContact O-CG 3.3Å; N104-K136 PolarHBondContact O-N 2.98Å; K136-G138 PolarHBondContact O-N 2.81Å
137N91.6Very high95.7Very high52 Ų5233.4 Ų33.428%0.27818%0.177SC..THydrogen-bonded Turntrans-88.810.5174.9-59-15.2000111.8N135 R139 S222N135-N137 PolarHBondContact O-N 3.13Å; N135-N137 VanDerWaalsContact O-N 3.16Å; N135-N137 WeakPolarHBondContact OD1-CA 3.36Å; N135-N137 WeakPolarHBondContact OD1-CB 3.42Å; N135-N137 PolarHBondContact OD1-N 2.85Å; N137-R139 HydrophobicContact CB-CG 4.28Å; N137-R139 PolarHBondContact ND2-NH1 3.41Å; N137-R139 PolarHBondContact O-N 3.4Å; N137-S222 WeakPolarHBondContact O-CA 3.35Å; N137-S222 VanDerWaalsContact O-CB 3.23Å; N137-S222 WeakPolarHBondContact O-CB 3.21Å; N137-S222 PolarHBondContact O-N 3.33Å
138G92.9Very high95.7Very high9 Ų929.5 Ų29.59%0.09316%0.156CC..SBendtrans7116.9-179.700000114N135 K136 C221N135-G138 PolarHBondContact O-N 2.81Å; N135-G138 PolarHBondContact OD1-N 3.4Å; K136-G138 PolarHBondContact O-N 2.81Å; G138-C221 PolarHBondContact O-N 3.42Å
139R95.2Very high95.7Very high4 Ų433.3 Ų33.32%0.01516%0.157CC..  trans-99.9142.4-175.3-66.6166.2-166.8169-5111.2F110 K134 N135 N137 H143 E144 A220 D227 E229 F237F110-R139 VanDerWaalsContact CE1-O 3.3Å; F110-R139 WeakPolarHBondContact CE1-O 3.32Å; F110-R139 VanDerWaalsContact CZ-O 3.24Å; F110-R139 WeakPolarHBondContact CZ-O 3.5Å; K134-R139 CarbonylContact C-O 3.57Å; K134-R139 VanDerWaalsContact CA-O 3.28Å; K134-R139 WeakPolarHBondContact CA-O 3.36Å; N135-R139 PolarHBondContact N-O 2.88Å; N135-R139 WeakPolarHBondContact OD1-CB 3.43Å; N135-R139 PolarHBondContact OD1-N 2.86Å; N135-R139 VanDerWaalsContact OD1-N 3.08Å; N137-R139 HydrophobicContact CB-CG 4.28Å; N137-R139 PolarHBondContact ND2-NH1 3.41Å; N137-R139 PolarHBondContact O-N 3.4Å; R139-H143 HydrophobicContact CB-CB 3.85Å; R139-H143 HydrophobicContact CG-CB 4.1Å; R139-E144 HydrophobicContact CB-CG 4.44Å; R139-E144 WeakPolarHBondContact CB-OE1 3.33Å; R139-E144 WeakPolarHBondContact CD-OE1 3.3Å; R139-E144 IonicContact NH1-OE1 3.64Å; R139-A220 HydrophobicContact CG-CB 3.66Å; R139-D227 IonicContact CZ-OD1 2.78Å; R139-D227 IonicContact CZ-OD2 2.81Å; R139-D227 IonicContact NE-OD2 3.3Å; R139-D227 IonicContact NH2-OD1 3.54Å; R139-D227 PolarHBondContact NH2-OD1 3.14Å; R139-D227 IonicContact NH2-OD2 2.81Å; R139-D227 PolarHBondContact NH2-OD2 3.4Å; R139-E229 IonicContact CZ-OE2 3.71Å; R139-E229 VanDerWaalsContact CZ-OE2 3.3Å; R139-E229 IonicContact NH1-OE2 3.79Å; R139-E229 IonicContact NH2-OE2 3.71Å; R139-E229 PolarHBondContact NH2-OE2 3.19Å; R139-F237 HydrophobicContact CG-CZ 4.23Å
140I95.6Very high95.7Very high7 Ų734.7 Ų34.74%0.03617%0.166CC..  trans-96.8168.3173.364.6166.2000110L133 K134 L142 H143 E144 M167 L218L133-I140 WeakPolarHBondContact O-CA 3.3Å; K134-I140 HydrophobicContact CG-CG2 3.72Å; I140-L142 HydrophobicContact CD1-CB 3.97Å; I140-L142 HydrophobicContact CG1-CB 4.13Å; I140-L142 PolarHBondContact O-N 2.92Å; I140-L142 VanDerWaalsContact O-N 3.11Å; I140-H143 PolarHBondContact N-ND1 2.92Å; I140-H143 WeakPolarHBondContact O-CB 3.49Å; I140-H143 PolarHBondContact O-N 3.45Å; I140-E144 PolarHBondContact O-N 3.02Å; I140-M167 HydrophobicContact CD1-CE 3.72Å; I140-L218 HydrophobicContact CD1-CD1 3.61Å
141P97.7Very high95.6Very high0 Ų042.6 Ų42.60%020%0.197CC..Hα-helixtrans-49.9-36.5178-33.137.8000114.8L109 F110 V113 P131 H143 E144 L145 L163L109-P141 HydrophobicContact CD2-CB 4.24Å; L109-P141 HydrophobicContact CD2-CG 3.87Å; L109-P141 HydrophobicContact CG-CB 4.2Å; L109-P141 HydrophobicContact CG-CG 4.07Å; F110-P141 HydrophobicContact CD1-CB 4.46Å; F110-P141 HydrophobicContact CD1-CG 4.1Å; F110-P141 HydrophobicContact CD2-CG 4.37Å; F110-P141 HydrophobicContact CE1-CG 4.07Å; F110-P141 HydrophobicContact CE2-CG 4.34Å; F110-P141 HydrophobicContact CG-CG 4.34Å; F110-P141 HydrophobicContact CZ-CG 4.22Å; V113-P141 HydrophobicContact CG2-CB 3.99Å; V113-P141 WeakPolarHBondContact CG2-O 3.21Å; P131-P141 WeakPolarHBondContact O-CD 3.16Å; P141-H143 PolarHBondContact O-N 2.96Å; P141-E144 PolarHBondContact O-N 3.39Å; P141-L145 PolarHBondContact O-N 3.17Å; P141-L163 HydrophobicContact CB-CD1 4.27Å; P141-L163 HydrophobicContact CB-CD2 3.84Å
142L97.3Very high95.8Very high0 Ų045.6 Ų45.60%021%0.213CC..Hα-helixtrans-62.6-40.7175.917959.6000112.9I140 L145 C146 F160 L163 M167 P234I140-L142 HydrophobicContact CD1-CB 3.97Å; I140-L142 HydrophobicContact CG1-CB 4.13Å; I140-L142 PolarHBondContact O-N 2.92Å; I140-L142 VanDerWaalsContact O-N 3.11Å; L142-L145 PolarHBondContact O-N 3.1Å; L142-C146 PolarHBondContact O-N 3.44Å; L142-C146 PolarHBondContact O-SG 3.37Å; L142-F160 HydrophobicContact CD1-CD2 3.6Å; L142-F160 HydrophobicContact CD1-CE2 3.84Å; L142-L163 HydrophobicContact CB-CD1 4.19Å; L142-L163 HydrophobicContact CD1-CD1 4.37Å; L142-M167 HydrophobicContact CD2-SD 4.45Å; L142-P234 HydrophobicContact CD2-CB 4.42Å; L142-P234 HydrophobicContact CD2-CG 3.82Å; L142-P234 HydrophobicContact CG-CB 4.38Å; L142-P234 HydrophobicContact CG-CG 4.07Å
143H97.3Very high96Very high2 Ų244.4 Ų44.41%0.00921%0.214CC..Hα-helixtrans-64.5-44174.8-61.5141.9000110.7R139 I140 P141 L145 C146 R147 L218 F237R139-H143 HydrophobicContact CB-CB 3.85Å; R139-H143 HydrophobicContact CG-CB 4.1Å; I140-H143 PolarHBondContact N-ND1 2.92Å; I140-H143 WeakPolarHBondContact O-CB 3.49Å; I140-H143 PolarHBondContact O-N 3.45Å; P141-H143 PolarHBondContact O-N 2.96Å; H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 3.38Å; H143-C146 WeakPolarHBondContact O-CB 3.42Å; H143-C146 PolarHBondContact O-N 2.96Å; H143-C146 VanDerWaalsContact O-N 3.11Å; H143-R147 WeakPolarHBondContact O-CG 3.5Å; H143-R147 PolarHBondContact O-N 3.03Å; H143-L218 PolarHBondContact NE2-O 3.29Å; H143-F237 HydrophobicContact CB-CD2 4.12Å; H143-F237 HydrophobicContact CB-CE2 3.81Å; H143-F237 HydrophobicContact CB-CZ 4.45Å; H143-F237 AromaticContact CD2-CD2 4Å; H143-F237 AromaticContact CD2-CE2 3.87Å; H143-F237 AromaticContact CG-CE2 3.87Å
144E97.7Very high96.2Very high0 Ų046.8 Ų46.80%023%0.23CC..Hα-helixtrans-68.3-30.1179.4-65.4-57.2156.100113W106 F110 Y114 N135 R139 I140 P141 C146 R147 T148W106-E144 HydrophobicContact CH2-CG 4.36Å; W106-E144 HydrophobicContact CZ2-CG 4.22Å; F110-E144 HydrophobicContact CD1-CB 3.99Å; F110-E144 HydrophobicContact CD1-CG 3.47Å; F110-E144 VanDerWaalsContact CD1-CG 3.47Å; F110-E144 HydrophobicContact CE1-CG 3.78Å; Y114-E144 HydrophobicContact CD2-CB 4.46Å; Y114-E144 WeakPolarHBondContact CD2-O 3.4Å; N135-E144 PolarHBondContact ND2-OE1 2.97Å; R139-E144 HydrophobicContact CB-CG 4.44Å; R139-E144 WeakPolarHBondContact CB-OE1 3.33Å; R139-E144 WeakPolarHBondContact CD-OE1 3.3Å; R139-E144 IonicContact NH1-OE1 3.64Å; I140-E144 PolarHBondContact O-N 3.02Å; P141-E144 PolarHBondContact O-N 3.39Å; E144-C146 VanDerWaalsContact C-N 3.31Å; E144-C146 PolarHBondContact O-N 3.05Å; E144-R147 PolarHBondContact O-N 3.2Å; E144-R147 VanDerWaalsContact O-N 3.16Å; E144-R147 IonicContact OE1-NH1 3.43Å; E144-R147 IonicContact OE2-CZ 3.86Å; E144-R147 IonicContact OE2-NH1 3.72Å; E144-R147 PolarHBondContact OE2-NH1 3.5Å; E144-T148 PolarHBondContact O-N 2.93Å
145L98.4Very high96.4Very high0 Ų046.3 Ų46.30%023%0.225CC..Hα-helixtrans-60.3-42.6169.1177.864000111.4V113 P141 L142 H143 R147 T148 I156 N159 F160 L163V113-L145 HydrophobicContact CB-CB 4.29Å; V113-L145 HydrophobicContact CB-CD1 4.44Å; V113-L145 HydrophobicContact CG2-CB 4.45Å; P141-L145 PolarHBondContact O-N 3.17Å; L142-L145 PolarHBondContact O-N 3.1Å; H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 3.38Å; L145-R147 PolarHBondContact O-N 2.89Å; L145-T148 WeakPolarHBondContact O-CB 3.15Å; L145-T148 WeakPolarHBondContact O-CG2 3.46Å; L145-T148 PolarHBondContact O-N 3.42Å; L145-I156 HydrophobicContact CD1-CG2 4.13Å; L145-I156 HydrophobicContact CG-CG2 4.37Å; L145-N159 HydrophobicContact CD1-CB 3.63Å; L145-N159 HydrophobicContact CD2-CB 3.9Å; L145-N159 HydrophobicContact CG-CB 4.43Å; L145-F160 HydrophobicContact CD2-CB 3.75Å; L145-L163 HydrophobicContact CB-CD1 4.38Å; L145-L163 HydrophobicContact CD2-CD1 4.08Å
146C97.9Very high96.6Very high0 Ų046.1 Ų46.10%022%0.224CC..THydrogen-bonded Turntrans-70.5-7.3178.3-57.50000113.4L142 H143 E144 F237 A238 H241 H243 L246L142-C146 PolarHBondContact O-N 3.44Å; L142-C146 PolarHBondContact O-SG 3.37Å; H143-C146 WeakPolarHBondContact O-CB 3.42Å; H143-C146 PolarHBondContact O-N 2.96Å; H143-C146 VanDerWaalsContact O-N 3.11Å; E144-C146 VanDerWaalsContact C-N 3.31Å; E144-C146 PolarHBondContact O-N 3.05Å; C146-F237 HydrophobicContact CB-CB 3.44Å; C146-F237 VanDerWaalsContact CB-CB 3.44Å; C146-F237 HydrophobicContact CB-CG 4.39Å; C146-A238 HydrophobicContact CB-CB 4.43Å; C146-H241 PolarHBondContact O-CD2 2.93Å; C146-H243 PolarHBondContact O-CD2 3.44Å; C146-H243 PolarHBondContact O-NE2 3.2Å; C146-L246 HydrophobicContact CB-CD2 4.27Å
147R97.3Very high96.8Very high44 Ų4441.3 Ų41.317%0.16621%0.205CC..THydrogen-bonded Turntrans-107.74177.2-60.5175.770.5-111.6-7.4113.2Y114 H143 E144 L145 E229 F237 H241Y114-R147 HydrophobicContact CE2-CB 4.29Å; Y114-R147 WeakPolarHBondContact CE2-O 3.36Å; H143-R147 WeakPolarHBondContact O-CG 3.5Å; H143-R147 PolarHBondContact O-N 3.03Å; E144-R147 PolarHBondContact O-N 3.2Å; E144-R147 VanDerWaalsContact O-N 3.16Å; E144-R147 IonicContact OE1-NH1 3.43Å; E144-R147 IonicContact OE2-CZ 3.86Å; E144-R147 IonicContact OE2-NH1 3.72Å; E144-R147 PolarHBondContact OE2-NH1 3.5Å; L145-R147 PolarHBondContact O-N 2.89Å; R147-E229 IonicContact CZ-OE2 3.36Å; R147-E229 IonicContact NE-OE2 3.61Å; R147-E229 PolarHBondContact NE-OE2 2.93Å; R147-E229 IonicContact NH2-OE2 3.52Å; R147-E229 PolarHBondContact NH2-OE2 3.48Å; R147-F237 HydrophobicContact CG-CB 4.5Å; R147-F237 HydrophobicContact CG-CD1 3.43Å; R147-F237 VanDerWaalsContact CG-CD1 3.43Å; R147-F237 HydrophobicContact CG-CE1 3.8Å; R147-F237 HydrophobicContact CG-CG 4.12Å; R147-H241 WeakPolarHBondContact CG-NE2 3.23Å
148T97.8Very high97.2Very high5 Ų542.7 Ų42.73%0.03121%0.208CC..  trans-59.3143.2-177.7-175.60000110.5Y114 E144 L145 S150 I156 H243Y114-T148 WeakPolarHBondContact O-CB 3.47Å; Y114-T148 PolarHBondContact O-OG1 3.11Å; E144-T148 PolarHBondContact O-N 2.93Å; L145-T148 WeakPolarHBondContact O-CB 3.15Å; L145-T148 WeakPolarHBondContact O-CG2 3.46Å; L145-T148 PolarHBondContact O-N 3.42Å; T148-S150 WeakPolarHBondContact OG1-CB 3.47Å; T148-S150 PolarHBondContact OG1-N 3.06Å; T148-S150 VanDerWaalsContact OG1-N 3.15Å; T148-I156 HydrophobicContact CG2-CD1 3.57Å; T148-I156 HydrophobicContact CG2-CG1 3.89Å; T148-H243 VanDerWaalsContact CG2-CE1 3.5Å; T148-H243 WeakPolarHBondContact CG2-CE1 3.32Å; T148-H243 PolarHBondContact O-CE1 3.32Å; T148-H243 PolarHBondContact O-NE2 3.45Å
149K94.7Very high97.4Very high134 Ų13442.2 Ų42.258%0.58320%0.204SC*.  trans-82.7-5.3171-61.8-176.4-175.9176.50112.5
150S96.2Very high97.6Very high31 Ų3142.1 Ų42.122%0.21720%0.204CC..  trans-65140-179.9172.50000111.3N116 T148 D152 I156N116-S150 PolarHBondContact ND2-OG 2.69Å; T148-S150 WeakPolarHBondContact OG1-CB 3.47Å; T148-S150 PolarHBondContact OG1-N 3.06Å; T148-S150 VanDerWaalsContact OG1-N 3.15Å; S150-D152 PolarHBondContact OG-N 3.1Å; S150-D152 VanDerWaalsContact OG-N 3.16Å; S150-I156 WeakPolarHBondContact O-CD1 3.24Å
151K95.4Very high97.7Very high200 Ų20046.1 Ų46.187%0.8722%0.222SC*.  trans-98.2-6.2172.2-61.5-176.8179.6-179.90113.4S153K151-S153 PolarHBondContact O-N 3.1Å
152D98Very high97.7Very high64 Ų6446.7 Ų46.734%0.34223%0.225SC..  trans-74.588.2177.6-174.2-23.1000110.1N116 S150 V154 R155 I156N116-D152 PolarHBondContact ND2-O 2.95Å; N116-D152 VanDerWaalsContact ND2-O 3.13Å; S150-D152 PolarHBondContact OG-N 3.1Å; S150-D152 VanDerWaalsContact OG-N 3.16Å; D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.25Å; D152-V154 PolarHBondContact OD1-N 3.39Å; D152-R155 HydrophobicContact CB-CB 4.37Å; D152-R155 PolarHBondContact O-N 3.29Å; D152-R155 PolarHBondContact OD1-N 3.43Å; D152-R155 WeakPolarHBondContact OD2-CD 3.25Å; D152-R155 WeakPolarHBondContact OD2-CG 3.39Å; D152-R155 IonicContact OD2-NE 2.66Å; D152-R155 PolarHBondContact OD2-NE 3.46Å; D152-R155 VanDerWaalsContact OD2-NE 3.16Å; D152-I156 VanDerWaalsContact O-CG1 3.28Å; D152-I156 WeakPolarHBondContact O-CG1 3.08Å; D152-I156 PolarHBondContact O-N 3.38Å; D152-I156 VanDerWaalsContact O-N 3.09Å
153S98.1Very high97.7Very high48 Ų4846.7 Ų46.734%0.33623%0.225SC..Hα-helixtrans-62.4-33.5-17956.80000112.8K151 R155 I156 L157K151-S153 PolarHBondContact O-N 3.1Å; S153-R155 PolarHBondContact O-N 2.66Å; S153-I156 PolarHBondContact O-N 3.46Å; S153-L157 WeakPolarHBondContact O-CB 3.38Å; S153-L157 VanDerWaalsContact O-CG 3.28Å; S153-L157 WeakPolarHBondContact O-CG 3.4Å; S153-L157 PolarHBondContact O-N 2.95Å
154V98.6Very high97.5Very high110 Ų11047 Ų4767%0.66723%0.227SC*.Hα-helixtrans-62-46.7179.2177.90000110.3D152 K158D152-V154 VanDerWaalsContact C-N 3.29Å; D152-V154 PolarHBondContact O-N 3.25Å; D152-V154 PolarHBondContact OD1-N 3.39Å; V154-K158 PolarHBondContact O-N 3.26Å
155R98.6Very high97.4Very high109 Ų10953.2 Ų53.241%0.41126%0.256SS..Hα-helixtrans-68.9-36.6176.1-72.4-178.4-173.4-102.7-6.7112.9N116 P118 D152 S153 K158 N159N116-R155 VanDerWaalsContact ND2-CB 3.25Å; N116-R155 WeakPolarHBondContact ND2-CB 3.38Å; N116-R155 WeakPolarHBondContact OD1-CB 3.49Å; N116-R155 PolarHBondContact OD1-O 3.33Å; P118-R155 HydrophobicContact CG-CB 4.13Å; P118-R155 HydrophobicContact CG-CG 4.1Å; D152-R155 HydrophobicContact CB-CB 4.37Å; D152-R155 PolarHBondContact O-N 3.29Å; D152-R155 PolarHBondContact OD1-N 3.43Å; D152-R155 WeakPolarHBondContact OD2-CD 3.25Å; D152-R155 WeakPolarHBondContact OD2-CG 3.39Å; D152-R155 IonicContact OD2-NE 2.66Å; D152-R155 PolarHBondContact OD2-NE 3.46Å; D152-R155 VanDerWaalsContact OD2-NE 3.16Å; S153-R155 PolarHBondContact O-N 2.66Å; R155-K158 PolarHBondContact O-N 3.26Å; R155-N159 PolarHBondContact O-N 3.48Å
156I98.7Very high97.1Very high4 Ų454.3 Ų54.32%0.02126%0.263CS..Hα-helixtrans-61.4-48.6176.5-70.4169.1000109.9N116 L145 T148 S150 D152 S153 K158 N159 F160 L246N116-I156 VanDerWaalsContact OD1-CA 3.32Å; N116-I156 WeakPolarHBondContact OD1-CA 3.33Å; N116-I156 PolarHBondContact OD1-N 3.11Å; N116-I156 VanDerWaalsContact OD1-N 3.08Å; L145-I156 HydrophobicContact CD1-CG2 4.13Å; L145-I156 HydrophobicContact CG-CG2 4.37Å; T148-I156 HydrophobicContact CG2-CD1 3.57Å; T148-I156 HydrophobicContact CG2-CG1 3.89Å; S150-I156 WeakPolarHBondContact O-CD1 3.24Å; D152-I156 VanDerWaalsContact O-CG1 3.28Å; D152-I156 WeakPolarHBondContact O-CG1 3.08Å; D152-I156 PolarHBondContact O-N 3.38Å; D152-I156 VanDerWaalsContact O-N 3.09Å; S153-I156 PolarHBondContact O-N 3.46Å; I156-K158 VanDerWaalsContact C-N 3.29Å; I156-K158 PolarHBondContact O-N 3.05Å; I156-N159 WeakPolarHBondContact O-CB 3.28Å; I156-N159 PolarHBondContact O-N 3.36Å; I156-F160 WeakPolarHBondContact O-CB 3.08Å; I156-F160 PolarHBondContact O-N 3.13Å; I156-L246 HydrophobicContact CG2-CB 4.29Å; I156-L246 HydrophobicContact CG2-CD1 4.31Å; I156-L246 HydrophobicContact CG2-CD2 3.91Å; I156-L246 HydrophobicContact CG2-CG 4.41Å
157L98.6Very high96.8Very high44 Ų4454.3 Ų54.323%0.2326%0.263CS..Hα-helixtrans-62.1-37.8177.5-70.3177.8000111.6S153 F160 E161 E245 L246 A249S153-L157 WeakPolarHBondContact O-CB 3.38Å; S153-L157 VanDerWaalsContact O-CG 3.28Å; S153-L157 WeakPolarHBondContact O-CG 3.4Å; S153-L157 PolarHBondContact O-N 2.95Å; L157-F160 WeakPolarHBondContact O-CB 3.11Å; L157-F160 PolarHBondContact O-N 3.43Å; L157-E161 WeakPolarHBondContact O-CG 3.47Å; L157-E161 PolarHBondContact O-N 2.61Å; L157-E245 HydrophobicContact CD1-CB 4.25Å; L157-L246 HydrophobicContact CD2-CD1 4.41Å; L157-A249 HydrophobicContact CD2-CB 3.64Å
158K98.7Very high96.4Very high81 Ų8154.8 Ų54.835%0.35227%0.269SS..Hα-helixtrans-63.3-44.3174-177.357.7-177.4169.40112.4P118 V154 R155 I156 F160 E161 L162P118-K158 HydrophobicContact CB-CB 4.09Å; P118-K158 HydrophobicContact CB-CG 3.68Å; P118-K158 HydrophobicContact CG-CB 4.47Å; P118-K158 HydrophobicContact CG-CG 4.33Å; V154-K158 PolarHBondContact O-N 3.26Å; R155-K158 PolarHBondContact O-N 3.26Å; I156-K158 VanDerWaalsContact C-N 3.29Å; I156-K158 PolarHBondContact O-N 3.05Å; K158-F160 VanDerWaalsContact C-N 3.31Å; K158-F160 PolarHBondContact O-N 3.35Å; K158-E161 PolarHBondContact O-N 3.23Å; K158-L162 HydrophobicContact CD-CG 4.49Å; K158-L162 HydrophobicContact CG-CD1 4.28Å; K158-L162 VanDerWaalsContact O-CG 3.29Å; K158-L162 WeakPolarHBondContact O-CG 3.33Å; K158-L162 PolarHBondContact O-N 3.04Å
159N98.6Very high96Very high0 Ų059.9 Ų59.90%029%0.291CS..Hα-helixtrans-60.4-42.2173.6-91.1-44.6000111.9N116 P118 A121 L145 R155 I156 L162 L163N116-N159 PolarHBondContact OD1-ND2 3.47Å; P118-N159 VanDerWaalsContact CA-OD1 3.24Å; P118-N159 WeakPolarHBondContact CA-OD1 3.33Å; A121-N159 VanDerWaalsContact CB-OD1 3.25Å; A121-N159 WeakPolarHBondContact CB-OD1 3.37Å; L145-N159 HydrophobicContact CD1-CB 3.63Å; L145-N159 HydrophobicContact CD2-CB 3.9Å; L145-N159 HydrophobicContact CG-CB 4.43Å; R155-N159 PolarHBondContact O-N 3.48Å; I156-N159 WeakPolarHBondContact O-CB 3.28Å; I156-N159 PolarHBondContact O-N 3.36Å; N159-L162 PolarHBondContact O-N 3.43Å; N159-L163 WeakPolarHBondContact O-CG 3.42Å; N159-L163 PolarHBondContact O-N 3.46Å
160F98.1Very high95.5Very high2 Ų255.5 Ų55.51%0.00928%0.276CS..Hα-helixtrans-59.4-48.5177.4176.3-119.4000111.3L142 L145 I156 L157 K158 L162 L163 L164 M216 L246 A249 L250L142-F160 HydrophobicContact CD1-CD2 3.6Å; L142-F160 HydrophobicContact CD1-CE2 3.84Å; L145-F160 HydrophobicContact CD2-CB 3.75Å; I156-F160 WeakPolarHBondContact O-CB 3.08Å; I156-F160 PolarHBondContact O-N 3.13Å; L157-F160 WeakPolarHBondContact O-CB 3.11Å; L157-F160 PolarHBondContact O-N 3.43Å; K158-F160 VanDerWaalsContact C-N 3.31Å; K158-F160 PolarHBondContact O-N 3.35Å; F160-L162 PolarHBondContact O-N 3.43Å; F160-L163 PolarHBondContact O-N 3.02Å; F160-L164 HydrophobicContact CD1-CD1 4.09Å; F160-L164 HydrophobicContact CD2-CD1 4.21Å; F160-L164 HydrophobicContact CD2-CG 4.27Å; F160-L164 HydrophobicContact CE1-CD1 3.66Å; F160-L164 HydrophobicContact CE2-CD1 3.77Å; F160-L164 HydrophobicContact CE2-CD2 4.28Å; F160-L164 HydrophobicContact CE2-CG 4.06Å; F160-L164 HydrophobicContact CG-CD1 4.37Å; F160-L164 HydrophobicContact CZ-CD1 3.51Å; F160-L164 HydrophobicContact CZ-CG 4.31Å; F160-L164 WeakPolarHBondContact O-CG 3.23Å; F160-L164 PolarHBondContact O-N 2.77Å; F160-M216 HydrophobicContact CE2-CE 4.11Å; F160-M216 HydrophobicContact CE2-SD 4.45Å; F160-M216 HydrophobicContact CZ-CE 3.66Å; F160-M216 HydrophobicContact CZ-SD 4.39Å; F160-L246 HydrophobicContact CB-CD1 3.92Å; F160-L246 HydrophobicContact CD1-CD1 4.06Å; F160-L246 HydrophobicContact CD2-CD1 3.8Å; F160-L246 HydrophobicContact CE1-CD1 4.45Å; F160-L246 HydrophobicContact CE2-CD1 4.24Å; F160-L246 HydrophobicContact CG-CD1 3.68Å; F160-A249 HydrophobicContact CD1-CB 4.29Å; F160-A249 HydrophobicContact CE1-CB 3.88Å; F160-L250 HydrophobicContact CE2-CD2 3.58Å; F160-L250 HydrophobicContact CE2-CG 4.27Å; F160-L250 HydrophobicContact CZ-CD2 3.65Å; F160-L250 HydrophobicContact CZ-CG 4.1Å
161E97.4Very high94.8Very high91 Ų9155.7 Ų55.743%0.42527%0.274SS..Hα-helixtrans-59.3-46.9175.8-72.3173.9173.300112.6L157 K158 L163 L164 E165L157-E161 WeakPolarHBondContact O-CG 3.47Å; L157-E161 PolarHBondContact O-N 2.61Å; K158-E161 PolarHBondContact O-N 3.23Å; E161-L163 VanDerWaalsContact C-N 3.35Å; E161-L163 PolarHBondContact O-N 3.23Å; E161-L164 PolarHBondContact O-N 3.4Å; E161-E165 WeakPolarHBondContact O-CB 3.22Å; E161-E165 PolarHBondContact O-N 2.91Å
162L98.4Very high94.1Very high11 Ų1152.8 Ų52.86%0.05826%0.257CS..Hα-helixtrans-58.5-45.4178.9-74.1168.5000111.8P118 A121 E122 L125 K158 N159 F160 C166P118-L162 HydrophobicContact CB-CD1 4.09Å; P118-L162 WeakPolarHBondContact O-CD1 3.27Å; A121-L162 HydrophobicContact CB-CD1 4.49Å; E122-L162 HydrophobicContact CB-CD1 3.9Å; E122-L162 HydrophobicContact CB-CD2 3.96Å; E122-L162 HydrophobicContact CG-CD2 3.97Å; L125-L162 HydrophobicContact CD1-CB 3.94Å; K158-L162 HydrophobicContact CD-CG 4.49Å; K158-L162 HydrophobicContact CG-CD1 4.28Å; K158-L162 VanDerWaalsContact O-CG 3.29Å; K158-L162 WeakPolarHBondContact O-CG 3.33Å; K158-L162 PolarHBondContact O-N 3.04Å; N159-L162 PolarHBondContact O-N 3.43Å; F160-L162 PolarHBondContact O-N 3.43Å; L162-C166 WeakPolarHBondContact O-CB 3.3Å; L162-C166 PolarHBondContact O-N 2.99Å; L162-C166 VanDerWaalsContact O-N 3.13Å
163L97.2Very high93.4Very high1 Ų154.9 Ų54.91%0.00527%0.265CS..Hα-helixtrans-62.7-49176.7-72.7176.2000111.2L109 V113 P131 P141 L142 L145 N159 F160 E161 E165 C166 M167L109-L163 HydrophobicContact CD2-CD2 4.33Å; V113-L163 HydrophobicContact CG1-CD1 4.15Å; V113-L163 HydrophobicContact CG1-CD2 4.29Å; V113-L163 HydrophobicContact CG1-CG 4.35Å; P131-L163 HydrophobicContact CB-CD2 4.19Å; P141-L163 HydrophobicContact CB-CD1 4.27Å; P141-L163 HydrophobicContact CB-CD2 3.84Å; L142-L163 HydrophobicContact CB-CD1 4.19Å; L142-L163 HydrophobicContact CD1-CD1 4.37Å; L145-L163 HydrophobicContact CB-CD1 4.38Å; L145-L163 HydrophobicContact CD2-CD1 4.08Å; N159-L163 WeakPolarHBondContact O-CG 3.42Å; N159-L163 PolarHBondContact O-N 3.46Å; F160-L163 PolarHBondContact O-N 3.02Å; E161-L163 VanDerWaalsContact C-N 3.35Å; E161-L163 PolarHBondContact O-N 3.23Å; L163-E165 PolarHBondContact O-N 3.41Å; L163-C166 PolarHBondContact O-N 3.21Å; L163-M167 WeakPolarHBondContact O-CB 3.43Å; L163-M167 WeakPolarHBondContact O-CG 3.47Å; L163-M167 PolarHBondContact O-N 2.9Å
164L94Very high92.4Very high7 Ų755 Ų554%0.03727%0.268CS..Hα-helixtrans-63.4-41.3-179.1-69.7-178.6000112.7F160 E161 C166 M167 N168 N215 M216F160-L164 HydrophobicContact CD1-CD1 4.09Å; F160-L164 HydrophobicContact CD2-CD1 4.21Å; F160-L164 HydrophobicContact CD2-CG 4.27Å; F160-L164 HydrophobicContact CE1-CD1 3.66Å; F160-L164 HydrophobicContact CE2-CD1 3.77Å; F160-L164 HydrophobicContact CE2-CD2 4.28Å; F160-L164 HydrophobicContact CE2-CG 4.06Å; F160-L164 HydrophobicContact CG-CD1 4.37Å; F160-L164 HydrophobicContact CZ-CD1 3.51Å; F160-L164 HydrophobicContact CZ-CG 4.31Å; F160-L164 WeakPolarHBondContact O-CG 3.23Å; F160-L164 PolarHBondContact O-N 2.77Å; E161-L164 PolarHBondContact O-N 3.4Å; L164-C166 VanDerWaalsContact C-N 3.34Å; L164-M167 PolarHBondContact O-N 3.23Å; L164-N168 VanDerWaalsContact O-CB 3.24Å; L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 PolarHBondContact O-N 3.08Å; L164-N168 PolarHBondContact O-ND2 3.15Å; L164-N215 HydrophobicContact CD2-CB 3.89Å; L164-M216 HydrophobicContact CD1-CE 3.79Å; L164-M216 HydrophobicContact CD2-CE 3.77Å; L164-M216 HydrophobicContact CG-CE 4.42Å
165E93.8Very high91.2Very high132 Ų13254 Ų5462%0.61726%0.259SS*.Hα-helixtrans-58.6-48.7176.4-176.1179.5174.200110.6E161 L163 N168 K169E161-E165 WeakPolarHBondContact O-CB 3.22Å; E161-E165 PolarHBondContact O-N 2.91Å; L163-E165 PolarHBondContact O-N 3.41Å; E165-N168 PolarHBondContact O-N 3.08Å; E165-K169 WeakPolarHBondContact O-CB 3.24Å; E165-K169 PolarHBondContact O-N 3.02Å
166C93.7Very high90.1Very high22 Ų2252.8 Ų52.815%0.14926%0.264CS..Hα-helixtrans-63.3-48.4177.9-172.40000111.9L125 P131 L162 L163 L164 N168 K169 C170L125-C166 HydrophobicContact CD1-CB 4.32Å; L125-C166 HydrophobicContact CD2-CB 3.94Å; P131-C166 HydrophobicContact CG-CB 4.28Å; L162-C166 WeakPolarHBondContact O-CB 3.3Å; L162-C166 PolarHBondContact O-N 2.99Å; L162-C166 VanDerWaalsContact O-N 3.13Å; L163-C166 PolarHBondContact O-N 3.21Å; L164-C166 VanDerWaalsContact C-N 3.34Å; C166-N168 VanDerWaalsContact C-N 3.33Å; C166-N168 PolarHBondContact O-N 3.26Å; C166-K169 WeakPolarHBondContact O-CB 3.13Å; C166-K169 PolarHBondContact O-N 3.08Å; C166-K169 VanDerWaalsContact O-N 3.15Å; C166-C170 PolarHBondContact O-N 3.22Å; C166-C170 PolarHBondContact O-SG 2.77Å; C166-C170 VanDerWaalsContact O-SG 3.33Å
167M91.8Very high88.6Confident0 Ų056.3 Ų56.30%029%0.288CS..Hα-helixtrans-59.1-43.4179-68.7168.989.800111.7P131 F132 I140 L142 L163 L164 C170 K171 N215 L218P131-M167 HydrophobicContact CB-CG 3.75Å; P131-M167 HydrophobicContact CG-CG 3.65Å; F132-M167 HydrophobicContact CD1-CE 4.05Å; F132-M167 HydrophobicContact CE1-CB 4.13Å; F132-M167 HydrophobicContact CE1-CE 3.56Å; F132-M167 HydrophobicContact CE1-CG 3.88Å; F132-M167 HydrophobicContact CE2-CB 4.43Å; F132-M167 HydrophobicContact CE2-CG 4.33Å; F132-M167 HydrophobicContact CZ-CB 3.65Å; F132-M167 HydrophobicContact CZ-CE 4.33Å; F132-M167 HydrophobicContact CZ-CG 3.72Å; I140-M167 HydrophobicContact CD1-CE 3.72Å; L142-M167 HydrophobicContact CD2-SD 4.45Å; L163-M167 WeakPolarHBondContact O-CB 3.43Å; L163-M167 WeakPolarHBondContact O-CG 3.47Å; L163-M167 PolarHBondContact O-N 2.9Å; L164-M167 PolarHBondContact O-N 3.23Å; M167-C170 PolarHBondContact O-N 3.06Å; M167-K171 VanDerWaalsContact O-CG 3.31Å; M167-K171 WeakPolarHBondContact O-CG 3.5Å; M167-K171 PolarHBondContact O-N 3.01Å; M167-K171 VanDerWaalsContact O-N 3.09Å; M167-N215 HydrophobicContact CE-CB 4.17Å; M167-N215 WeakPolarHBondContact CE-OD1 3.4Å; M167-L218 HydrophobicContact CE-CD1 3.5Å
168N88.6Confident86.7Confident55 Ų5560.9 Ų60.929%0.29431%0.31SS..Hα-helixtrans-68.9-34.2178.1-70.4-21.9000112.4L164 E165 C166 R172 N215L164-N168 VanDerWaalsContact O-CB 3.24Å; L164-N168 WeakPolarHBondContact O-CB 3.28Å; L164-N168 PolarHBondContact O-N 3.08Å; L164-N168 PolarHBondContact O-ND2 3.15Å; E165-N168 PolarHBondContact O-N 3.08Å; C166-N168 VanDerWaalsContact C-N 3.33Å; C166-N168 PolarHBondContact O-N 3.26Å; N168-R172 PolarHBondContact O-N 2.81Å; N168-R172 VanDerWaalsContact O-N 3.13Å; N168-N215 PolarHBondContact OD1-ND2 3.11Å; N168-N215 VanDerWaalsContact OD1-ND2 3.15Å
169K89Confident84.9Confident111 Ų11161.9 Ų61.948%0.48332%0.323SS..Hα-helixtrans-63.1-51.3172.8-179.1-176.9170.6-174.50111.3E165 C166 K171 R172 E173E165-K169 WeakPolarHBondContact O-CB 3.24Å; E165-K169 PolarHBondContact O-N 3.02Å; C166-K169 WeakPolarHBondContact O-CB 3.13Å; C166-K169 PolarHBondContact O-N 3.08Å; C166-K169 VanDerWaalsContact O-N 3.15Å; K169-K171 VanDerWaalsContact C-N 3.26Å; K169-K171 PolarHBondContact O-N 3.25Å; K169-R172 PolarHBondContact O-N 3.13Å; K169-R172 VanDerWaalsContact O-N 3.15Å; K169-E173 WeakPolarHBondContact CE-OE1 3Å; K169-E173 WeakPolarHBondContact O-CG 3.45Å; K169-E173 PolarHBondContact O-N 3.38Å
170C85Confident82.8Confident42 Ų4268.2 Ų68.228%0.28436%0.357SS..Hα-helixtrans-58.3-37.8178.2-65.30000112.4F132 C166 M167 E173 A174F132-C170 HydrophobicContact CE2-CB 3.74Å; F132-C170 HydrophobicContact CZ-CB 4.46Å; C166-C170 PolarHBondContact O-N 3.22Å; C166-C170 PolarHBondContact O-SG 2.77Å; C166-C170 VanDerWaalsContact O-SG 3.33Å; M167-C170 PolarHBondContact O-N 3.06Å; C170-E173 PolarHBondContact O-N 3.09Å; C170-A174 WeakPolarHBondContact O-CB 3.42Å; C170-A174 PolarHBondContact O-N 3.28Å
171K80.1Confident80.4Confident36 Ų3672.9 Ų72.916%0.15739%0.389CS..Hα-helixtrans-62.1-49.9174.5-72.7170.7-175.5179.40112.2M167 K169 E173 A174 L175 L213 N215M167-K171 VanDerWaalsContact O-CG 3.31Å; M167-K171 WeakPolarHBondContact O-CG 3.5Å; M167-K171 PolarHBondContact O-N 3.01Å; M167-K171 VanDerWaalsContact O-N 3.09Å; K169-K171 VanDerWaalsContact C-N 3.26Å; K169-K171 PolarHBondContact O-N 3.25Å; K171-E173 VanDerWaalsContact C-N 3.29Å; K171-E173 PolarHBondContact O-N 3.39Å; K171-A174 WeakPolarHBondContact O-CB 3.43Å; K171-A174 PolarHBondContact O-N 3.11Å; K171-L175 WeakPolarHBondContact O-CD1 3.47Å; K171-L175 PolarHBondContact O-N 2.96Å; K171-L213 HydrophobicContact CD-CD2 4.23Å; K171-L213 HydrophobicContact CG-CD2 4.33Å; K171-L213 PolarHBondContact NZ-O 3.16Å; K171-N215 WeakPolarHBondContact CE-OD1 3.22Å; K171-N215 PolarHBondContact NZ-ND2 2.85Å; K171-N215 PolarHBondContact NZ-OD1 3.16Å
172R81.5Confident77.8Confident139 Ų13978 Ų7853%0.52541%0.41SS..Hα-helixtrans-58.7-41.9178.6-75.7-175.5-109.7103.3-2.7111.7N168 K169 L175 V176N168-R172 PolarHBondContact O-N 2.81Å; N168-R172 VanDerWaalsContact O-N 3.13Å; K169-R172 PolarHBondContact O-N 3.13Å; K169-R172 VanDerWaalsContact O-N 3.15Å; R172-L175 PolarHBondContact O-N 3.25Å; R172-V176 WeakPolarHBondContact O-CG2 3.45Å; R172-V176 PolarHBondContact O-N 3.09Å
173E82.2Confident75.2Confident108 Ų10883 Ų8351%0.50544%0.443SS..Hα-helixtrans-64.1-40.6176.9-69.7171172.800112.1K169 C170 K171 V176 S177K169-E173 WeakPolarHBondContact CE-OE1 3Å; K169-E173 WeakPolarHBondContact O-CG 3.45Å; K169-E173 PolarHBondContact O-N 3.38Å; C170-E173 PolarHBondContact O-N 3.09Å; K171-E173 VanDerWaalsContact C-N 3.29Å; K171-E173 PolarHBondContact O-N 3.39Å; E173-V176 PolarHBondContact O-N 3.41Å; E173-S177 PolarHBondContact O-N 3.16Å; E173-S177 VanDerWaalsContact O-N 3.11Å
174A77.4Confident72.3Confident49 Ų4989.9 Ų89.941%0.40548%0.48SS..Hα-helixtrans-63.5-43.4175.200000112.5C170 K171 S177 M178C170-A174 WeakPolarHBondContact O-CB 3.42Å; C170-A174 PolarHBondContact O-N 3.28Å; K171-A174 WeakPolarHBondContact O-CB 3.43Å; K171-A174 PolarHBondContact O-N 3.11Å; A174-S177 PolarHBondContact O-N 3.49Å; A174-S177 PolarHBondContact O-OG 3.16Å; A174-M178 WeakPolarHBondContact O-CG 3.44Å; A174-M178 PolarHBondContact O-N 3.1Å
175L73.2Confident69.9Low89 Ų8995.6 Ų95.647%0.46652%0.517SS..Hα-helixtrans-63.1-44.7177.6-9079.9000111.9K171 R172 S177 M178 T179 L213K171-L175 WeakPolarHBondContact O-CD1 3.47Å; K171-L175 PolarHBondContact O-N 2.96Å; R172-L175 PolarHBondContact O-N 3.25Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 2.92Å; L175-M178 WeakPolarHBondContact O-CB 3.24Å; L175-M178 PolarHBondContact O-N 3.22Å; L175-T179 PolarHBondContact O-N 3.16Å; L175-L213 HydrophobicContact CD1-CD2 4.32Å
176V76.1Confident67.3Low85 Ų8596.6 Ų96.652%0.51553%0.525SS..Hα-helixtrans-61.7-40.8177.9173.50000111.1R172 E173 M178 T179 D180R172-V176 WeakPolarHBondContact O-CG2 3.45Å; R172-V176 PolarHBondContact O-N 3.09Å; E173-V176 PolarHBondContact O-N 3.41Å; V176-M178 PolarHBondContact O-N 3.19Å; V176-T179 PolarHBondContact O-N 3.09Å; V176-T179 VanDerWaalsContact O-N 3.13Å; V176-T179 PolarHBondContact O-OG1 3.47Å; V176-D180 PolarHBondContact O-N 2.82Å
177S68.3Low64.2Low77 Ų77102.1 Ų102.154%0.53856%0.559SS.*Hα-helixtrans-62.1-29.4177.483.30000113.7E173 A174 L175E173-S177 PolarHBondContact O-N 3.16Å; E173-S177 VanDerWaalsContact O-N 3.11Å; A174-S177 PolarHBondContact O-N 3.49Å; A174-S177 PolarHBondContact O-OG 3.16Å; L175-S177 VanDerWaalsContact C-N 3.31Å; L175-S177 PolarHBondContact O-N 2.92Å
178M57.6Low61.2Low141 Ų141108.8 Ų108.870%0.69560%0.599SS**Hα-helixtrans-75-34.5176.6-66.6-99.5-152.200111.6A174 L175 V176A174-M178 WeakPolarHBondContact O-CG 3.44Å; A174-M178 PolarHBondContact O-N 3.1Å; L175-M178 WeakPolarHBondContact O-CB 3.24Å; L175-M178 PolarHBondContact O-N 3.22Å; V176-M178 PolarHBondContact O-N 3.19Å
179T61.4Low58.3Low102 Ų102113 Ų11363%0.62663%0.627SS**Hα-helixtrans-76.6-21.3-17753.20000114.6L175 V176 C181L175-T179 PolarHBondContact O-N 3.16Å; V176-T179 PolarHBondContact O-N 3.09Å; V176-T179 VanDerWaalsContact O-N 3.13Å; V176-T179 PolarHBondContact O-OG1 3.47Å; T179-C181 PolarHBondContact O-N 2.81Å
180D54.9Low55.3Low133 Ų133113.2 Ų113.271%0.71164%0.643SS**THydrogen-bonded Turntrans-75.7-9.8177.4-76.7-28.2000113.4V176 K182V176-D180 PolarHBondContact O-N 2.82Å; D180-K182 PolarHBondContact O-N 3.06Å
181C47.2Very low52.7Low100 Ų100115.9 Ų115.968%0.67667%0.668SS**SBendtrans-76.7103.3164.9-76.10000109.2T179T179-C181 PolarHBondContact O-N 2.81Å
182K41.9Very low50.3Low197 Ų197119.6 Ų119.686%0.85769%0.693SS**  trans-37.7121.3174.1-120.6175.4-179.8171.10111D180 D184D180-K182 PolarHBondContact O-N 3.06Å; K182-D184 PolarHBondContact O-N 3.31Å
183P45.1Very low48Very low117 Ų117120.8 Ų120.876%0.7671%0.709SS**  trans-67.1125-17823.7-31000110.2
184D35.4Very low45.5Very low146 Ų146121.5 Ų121.578%0.78172%0.716SS**  trans-59.3135.4164.3-80.5-38.9000108.6K182 I186K182-D184 PolarHBondContact O-N 3.31Å; D184-I186 PolarHBondContact O-N 3.08Å
185P43Very low43.5Very low126 Ų126127 Ų12782%0.81874%0.739SS**SBendtrans-80.854.2-171.434.3-35.7000111.3
186I39.6Very low41.4Very low154 Ų154129.8 Ų129.879%0.7975%0.754SS**SBendtrans-147.263.3164.2-42.6174.3000109.5D184D184-I186 PolarHBondContact O-N 3.08Å
187T29.8Very low39.5Very low138 Ų138133.2 Ų133.285%0.84777%0.768SS**  trans178.384.5141.736.80000108.8
188T27.3Very low37.6Very low140 Ų140135 Ų13586%0.85977%0.772SS**  trans-76.2116.6156.9430000109
189T28.7Very low36.8Very low142 Ų142134.6 Ų134.687%0.87177%0.772SS**  trans-111.4108.1140.744.80000107.3
190S26.5Very low35.5Very low117 Ų117134.8 Ų134.882%0.81877%0.769SS**  trans-65.4130.517556.40000111.5
191A28.9Very low34.6Very low97 Ų97136.1 Ų136.180%0.80277%0.771SS**  trans-158.214413800000108.3
192T29.8Very low34Very low114 Ų114136.2 Ų136.270%0.69977%0.769SS**  trans-56.6144.8-17339.20000113.1D194T192-D194 PolarHBondContact O-N 3.38Å
193I34.2Very low33.6Very low165 Ų165129.9 Ų129.985%0.84675%0.746SS**  trans-67.686.7169.7-56.9169.6000106.8
194D29.8Very low32.9Very low122 Ų122130.3 Ų130.365%0.65274%0.741SS**  trans-87.3135.2163.4-74.1-20.2000107.5T192 N196T192-D194 PolarHBondContact O-N 3.38Å; D194-N196 PolarHBondContact O-N 2.94Å
195D34.5Very low32.9Very low165 Ų165126 Ų12688%0.88272%0.718SS**SBendtrans-63.327.7-175.3-78.4-41.1000115.2
196N30.5Very low32.7Very low147 Ų147128.8 Ų128.879%0.78673%0.726SS**  trans-127.882.4168.4-94.2-27.5000108.5D194 N198D194-N196 PolarHBondContact O-N 2.94Å; N196-N198 VanDerWaalsContact C-N 3.32Å; N196-N198 PolarHBondContact O-N 2.83Å
197L35.2Very low32.8Very low157 Ų157126.2 Ų126.282%0.82272%0.721SS**  trans-55.699.2163.1-77.6162000108.1L199L197-L199 PolarHBondContact O-N 2.87Å
198N29.3Very low32.9Very low114 Ų114122.3 Ų122.361%0.6171%0.708SS**  trans-68.6103.8170.9-160.78.1000106.7N196 N200N196-N198 VanDerWaalsContact C-N 3.32Å; N196-N198 PolarHBondContact O-N 2.83Å; N198-N200 VanDerWaalsContact CG-CG 3.45Å; N198-N200 PolarHBondContact ND2-ND2 3.13Å; N198-N200 PolarHBondContact ND2-OD1 2.76Å; N198-N200 PolarHBondContact O-N 3.46Å; N198-N200 PolarHBondContact OD1-ND2 3.04Å; N198-N200 PolarHBondContact OD1-OD1 2.81Å
199L40.3Very low33.1Very low134 Ų134119.3 Ų119.370%0.70269%0.689SS**THydrogen-bonded Turntrans-68.616.3-173.6-70171.5000114.3L197L197-L199 PolarHBondContact O-N 2.87Å
200N34.7Very low33.5Very low105 Ų105115.1 Ų115.156%0.56167%0.666SS**THydrogen-bonded Turntrans-111.714.8-177.156.613.4000113.6N198 T202N198-N200 VanDerWaalsContact CG-CG 3.45Å; N198-N200 PolarHBondContact ND2-ND2 3.13Å; N198-N200 PolarHBondContact ND2-OD1 2.76Å; N198-N200 PolarHBondContact O-N 3.46Å; N198-N200 PolarHBondContact OD1-ND2 3.04Å; N198-N200 PolarHBondContact OD1-OD1 2.81Å; N200-T202 PolarHBondContact O-N 2.78Å
201E35.8Very low34.3Very low162 Ų162113.4 Ų113.476%0.75765%0.647SS**  trans-77.5112.1175.9-148.1165.8-155.700110.8T203E201-T203 PolarHBondContact O-N 3.26Å
202T32.9Very low35.2Very low101 Ų101113.1 Ų113.162%0.6263%0.632SS**  trans-64.9115.7-178.750.20000110.8N200N200-T202 PolarHBondContact O-N 2.78Å
203T33.4Very low36.3Very low64 Ų64109.4 Ų109.439%0.39361%0.608SS.*PPolyproline II helixtrans-103.8132.2167.245.40000109.7E201 I211 L213E201-T203 PolarHBondContact O-N 3.26Å; T203-I211 PolarHBondContact O-N 3.21Å; T203-L213 WeakPolarHBondContact OG1-CD1 3.32Å
204I32.4Very low38.1Very low127 Ų127104.6 Ų104.665%0.65158%0.583SS**BIsolated β-bridgetrans-94.7126.5-178.1-54.5175.5000107.2
205D33.6Very low40.4Very low54 Ų5499.1 Ų99.129%0.28955%0.554SS.*PPolyproline II helixtrans-79.7171.3171.564.810.9000112.2C207 G208 T209 I211D205-C207 PolarHBondContact O-N 3.18Å; D205-C207 PolarHBondContact OD1-N 2.94Å; D205-C207 PolarHBondContact OD1-SG 3.28Å; D205-C207 PolarHBondContact OD2-SG 3.42Å; D205-G208 PolarHBondContact O-N 3.3Å; D205-G208 PolarHBondContact OD1-N 3.01Å; D205-T209 VanDerWaalsContact CG-OG1 3.3Å; D205-T209 PolarHBondContact N-O 3.49Å; D205-T209 PolarHBondContact OD1-N 3.14Å; D205-T209 PolarHBondContact OD1-OG1 3.36Å; D205-T209 PolarHBondContact OD2-OG1 3.36Å; D205-T209 VanDerWaalsContact OD2-OG1 3.05Å; D205-I211 HydrophobicContact CB-CD1 4.31Å; D205-I211 HydrophobicContact CB-CG1 4.46Å
206N38.8Very low42.9Very low186 Ų18691.8 Ų91.8100%0.99552%0.515SS*.THydrogen-bonded Turntrans-62.3-5.4-177.8-75.1-16.9000114.5
207C42.7Very low45.5Very low99 Ų9986.5 Ų86.567%0.66949%0.489SS*.THydrogen-bonded Turntrans-102.58.7171.446.80000114.1D205 T209D205-C207 PolarHBondContact O-N 3.18Å; D205-C207 PolarHBondContact OD1-N 2.94Å; D205-C207 PolarHBondContact OD1-SG 3.28Å; D205-C207 PolarHBondContact OD2-SG 3.42Å; C207-T209 PolarHBondContact O-N 3.11Å; C207-T209 PolarHBondContact SG-OG1 2.97Å
208G32Very low48Very low56 Ų5681 Ų8158%0.57746%0.46SS*.SBendtrans74.413.917500000113.5D205D205-G208 PolarHBondContact O-N 3.3Å; D205-G208 PolarHBondContact OD1-N 3.01Å
209T31.9Very low51Low77 Ų7779.2 Ų79.247%0.47245%0.445SS..  trans-93124176.343.30000109.3D205 C207 I211D205-T209 VanDerWaalsContact CG-OG1 3.3Å; D205-T209 PolarHBondContact N-O 3.49Å; D205-T209 PolarHBondContact OD1-N 3.14Å; D205-T209 PolarHBondContact OD1-OG1 3.36Å; D205-T209 PolarHBondContact OD2-OG1 3.36Å; D205-T209 VanDerWaalsContact OD2-OG1 3.05Å; C207-T209 PolarHBondContact O-N 3.11Å; C207-T209 PolarHBondContact SG-OG1 2.97Å; T209-I211 PolarHBondContact O-N 3.26Å
210S37.2Very low53.3Low54 Ų5472.8 Ų72.838%0.37841%0.412SS..BIsolated β-bridgetrans-50.8113.6162.9177.10000106.6D212S210-D212 PolarHBondContact O-N 3.2Å; S210-D212 PolarHBondContact OG-OD1 3.47Å
211I42.9Very low55.8Low82 Ų8271.3 Ų71.342%0.42141%0.409SS..  trans-68.8100.6161.7-59.2172.6000102.9T203 D205 T209 L213T203-I211 PolarHBondContact O-N 3.21Å; D205-I211 HydrophobicContact CB-CD1 4.31Å; D205-I211 HydrophobicContact CB-CG1 4.46Å; T209-I211 PolarHBondContact O-N 3.26Å; I211-L213 HydrophobicContact CB-CD1 4.36Å; I211-L213 HydrophobicContact CG2-CD1 4.43Å; I211-L213 HydrophobicContact CG2-CG 4.14Å; I211-L213 WeakPolarHBondContact O-CD1 3.5Å; I211-L213 PolarHBondContact O-N 2.93Å
212D47.4Very low58.1Low91 Ų9164.1 Ų64.149%0.48738%0.376SS..  trans-6291.5170-72.4-20.2000106.7S210 D214S210-D212 PolarHBondContact O-N 3.2Å; S210-D212 PolarHBondContact OG-OD1 3.47Å; D212-D214 PolarHBondContact O-N 3.34Å; D212-D214 VanDerWaalsContact O-N 3.14Å
213L52.7Low60.4Low36 Ų3668.3 Ų68.319%0.18839%0.389CS..  trans-70.6-0.5-177.9-88123.3000111.6K171 L175 T203 I211K171-L213 HydrophobicContact CD-CD2 4.23Å; K171-L213 HydrophobicContact CG-CD2 4.33Å; K171-L213 PolarHBondContact NZ-O 3.16Å; L175-L213 HydrophobicContact CD1-CD2 4.32Å; T203-L213 WeakPolarHBondContact OG1-CD1 3.32Å; I211-L213 HydrophobicContact CB-CD1 4.36Å; I211-L213 HydrophobicContact CG2-CD1 4.43Å; I211-L213 HydrophobicContact CG2-CG 4.14Å; I211-L213 WeakPolarHBondContact O-CD1 3.5Å; I211-L213 PolarHBondContact O-N 2.93Å
214D72.9Confident62.7Low63 Ų6368.9 Ų68.934%0.33739%0.389SS..  trans-85.2111.3169.2177.920.7000109.9D212 M216 S217D212-D214 PolarHBondContact O-N 3.34Å; D212-D214 VanDerWaalsContact O-N 3.14Å; D214-M216 PolarHBondContact O-N 3.19Å; D214-M216 WeakPolarHBondContact OD1-CB 3.39Å; D214-M216 PolarHBondContact OD1-N 3.24Å; D214-S217 PolarHBondContact O-N 3.49Å; D214-S217 PolarHBondContact OD2-N 3.43Å; D214-S217 PolarHBondContact OD2-OG 2.87Å
215N78.2Confident65.1Low7 Ų770.4 Ų70.44%0.03740%0.399CS..G310 helixtrans-55-27.7175.6-71.1-28.8000111.8L164 M167 N168 K171 S217L164-N215 HydrophobicContact CD2-CB 3.89Å; M167-N215 HydrophobicContact CE-CB 4.17Å; M167-N215 WeakPolarHBondContact CE-OD1 3.4Å; N168-N215 PolarHBondContact OD1-ND2 3.11Å; N168-N215 VanDerWaalsContact OD1-ND2 3.15Å; K171-N215 WeakPolarHBondContact CE-OD1 3.22Å; K171-N215 PolarHBondContact NZ-ND2 2.85Å; K171-N215 PolarHBondContact NZ-OD1 3.16Å; N215-S217 VanDerWaalsContact C-N 3.33Å
216M85.4Confident67.6Low11 Ų1175.4 Ų75.45%0.05443%0.425CS..G310 helixtrans-79.3-18.7-177.7-52.1-41.2178.400113.2F160 L164 D214 L250 R253 A255F160-M216 HydrophobicContact CE2-CE 4.11Å; F160-M216 HydrophobicContact CE2-SD 4.45Å; F160-M216 HydrophobicContact CZ-CE 3.66Å; F160-M216 HydrophobicContact CZ-SD 4.39Å; L164-M216 HydrophobicContact CD1-CE 3.79Å; L164-M216 HydrophobicContact CD2-CE 3.77Å; L164-M216 HydrophobicContact CG-CE 4.42Å; D214-M216 PolarHBondContact O-N 3.19Å; D214-M216 WeakPolarHBondContact OD1-CB 3.39Å; D214-M216 PolarHBondContact OD1-N 3.24Å; M216-L250 HydrophobicContact CE-CD2 4.32Å; M216-L250 HydrophobicContact SD-CD2 3.52Å; M216-L250 VanDerWaalsContact SD-CD2 3.52Å; M216-R253 HydrophobicContact CE-CB 3.68Å; M216-R253 HydrophobicContact CE-CG 4.31Å; M216-A255 HydrophobicContact CB-CB 3.91Å; M216-A255 HydrophobicContact CG-CB 4.3Å
217S85.1Confident69.9Low36 Ų3667.5 Ų67.525%0.25238%0.382SS..G310 helixtrans-95.9-3.2179.2-65.70000113.3D214 N215 R219D214-S217 PolarHBondContact O-N 3.49Å; D214-S217 PolarHBondContact OD2-N 3.43Å; D214-S217 PolarHBondContact OD2-OG 2.87Å; N215-S217 VanDerWaalsContact C-N 3.33Å; S217-R219 PolarHBondContact O-N 3.44Å
218L88.4Confident72Confident42 Ų4266.4 Ų66.422%0.2238%0.376CS..  trans-60.1129.3177.5-63.9175.1000110.4I140 H143 M167 T233 P234I140-L218 HydrophobicContact CD1-CD1 3.61Å; H143-L218 PolarHBondContact NE2-O 3.29Å; M167-L218 HydrophobicContact CE-CD1 3.5Å; L218-T233 WeakPolarHBondContact O-CA 3.25Å; L218-P234 WeakPolarHBondContact O-CD 3.47Å
219R91.7Very high74.7Confident76 Ų7664.5 Ų64.529%0.28735%0.352SS..  trans-107.4145.5-180-70.9176.5174.8-89.17.3111.9S217 C221 D231 F232 T233 T260S217-R219 PolarHBondContact O-N 3.44Å; R219-C221 PolarHBondContact O-N 3.49Å; R219-D231 WeakPolarHBondContact CD-OD1 3.29Å; R219-D231 IonicContact CZ-OD2 3.73Å; R219-D231 PolarHBondContact NH1-O 3.3Å; R219-D231 IonicContact NH1-OD1 3.99Å; R219-D231 IonicContact NH1-OD2 2.94Å; R219-D231 PolarHBondContact NH1-OD2 3.09Å; R219-F232 WeakPolarHBondContact CA-O 3.44Å; R219-T233 HydrophobicContact CG-CG2 3.76Å; R219-T260 PolarHBondContact NH1-O 2.94Å; R219-T260 PolarHBondContact NH2-O 3.43Å
220A89.6Confident77.3Confident0 Ų061.2 Ų61.20%033%0.332CS..  trans-74.4106.3171.300000111R139 S222 D231 F232 F237R139-A220 HydrophobicContact CG-CB 3.66Å; A220-S222 VanDerWaalsContact C-N 3.33Å; A220-S222 PolarHBondContact O-N 2.88Å; A220-S222 VanDerWaalsContact O-N 3.12Å; A220-D231 VanDerWaalsContact O-CA 3.23Å; A220-D231 WeakPolarHBondContact O-CA 3.43Å; A220-D231 PolarHBondContact O-N 3.41Å; A220-F232 PolarHBondContact N-O 2.9Å; A220-F237 HydrophobicContact CB-CE2 3.9Å; A220-F237 HydrophobicContact CB-CZ 3.91Å
221C86Confident79.9Confident74 Ų7460.5 Ų60.550%0.533%0.325SS..  trans-90.761.9-177.6-510000111.9G138 R219G138-C221 PolarHBondContact O-N 3.42Å; R219-C221 PolarHBondContact O-N 3.49Å
222S85.4Confident82.4Confident10 Ų1056.6 Ų56.67%0.0731%0.305CS..  trans-66.1133177.2-164.30000111.2N137 A220 N224 D227N137-S222 WeakPolarHBondContact O-CA 3.35Å; N137-S222 VanDerWaalsContact O-CB 3.23Å; N137-S222 WeakPolarHBondContact O-CB 3.21Å; N137-S222 PolarHBondContact O-N 3.33Å; A220-S222 VanDerWaalsContact C-N 3.33Å; A220-S222 PolarHBondContact O-N 2.88Å; A220-S222 VanDerWaalsContact O-N 3.12Å; S222-N224 VanDerWaalsContact C-N 3.34Å; S222-N224 PolarHBondContact OG-N 3.12Å; S222-D227 WeakPolarHBondContact CB-OD2 3.45Å; S222-D227 PolarHBondContact OG-OD2 3.45Å
223Q80.9Confident84.7Confident189 Ų18952.3 Ų52.388%0.88328%0.282SS*.  trans-90.8-0.8172-65.4-178.56.300112.4
224N82.4Confident86.7Confident76 Ų7650.6 Ų50.641%0.40627%0.273SS..  trans-86.6115178.5-177.48.7000109.7S222 L226 D227S222-N224 VanDerWaalsContact C-N 3.34Å; S222-N224 PolarHBondContact OG-N 3.12Å; N224-L226 PolarHBondContact O-N 3.06Å; N224-L226 VanDerWaalsContact O-N 3.16Å; N224-L226 PolarHBondContact OD1-N 3.27Å; N224-L226 VanDerWaalsContact OD1-N 3.1Å; N224-D227 HydrophobicContact CB-CB 4.21Å; N224-D227 WeakPolarHBondContact O-CB 3.24Å; N224-D227 PolarHBondContact O-N 3.13Å; N224-D227 VanDerWaalsContact O-N 3.09Å
225D81.8Confident87.9Confident160 Ų16047.7 Ų47.786%0.85626%0.257SS*.THydrogen-bonded Turntrans-65.4-15.3179.1-65.4-30.9000113.4
226L85.8Confident88.9Confident158 Ų15847.3 Ų47.383%0.82726%0.255SS*.THydrogen-bonded Turntrans-89.2-4.2176.1-58.1178000113.6N224 S228N224-L226 PolarHBondContact O-N 3.06Å; N224-L226 VanDerWaalsContact O-N 3.16Å; N224-L226 PolarHBondContact OD1-N 3.27Å; N224-L226 VanDerWaalsContact OD1-N 3.1Å; L226-S228 PolarHBondContact O-N 3.46Å
227D86.9Confident89.4Confident20 Ų2046.8 Ų46.811%0.10725%0.253CS..  trans-82101.8179.8-174.11.4000110.3R139 S222 N224 E229 A230R139-D227 IonicContact CZ-OD1 2.78Å; R139-D227 IonicContact CZ-OD2 2.81Å; R139-D227 IonicContact NE-OD2 3.3Å; R139-D227 IonicContact NH2-OD1 3.54Å; R139-D227 PolarHBondContact NH2-OD1 3.14Å; R139-D227 IonicContact NH2-OD2 2.81Å; R139-D227 PolarHBondContact NH2-OD2 3.4Å; S222-D227 WeakPolarHBondContact CB-OD2 3.45Å; S222-D227 PolarHBondContact OG-OD2 3.45Å; N224-D227 HydrophobicContact CB-CB 4.21Å; N224-D227 WeakPolarHBondContact O-CB 3.24Å; N224-D227 PolarHBondContact O-N 3.13Å; N224-D227 VanDerWaalsContact O-N 3.09Å; D227-E229 PolarHBondContact O-N 3.38Å; D227-E229 PolarHBondContact OD1-N 2.86Å; D227-A230 HydrophobicContact CB-CB 4.3Å; D227-A230 WeakPolarHBondContact O-CB 3.35Å; D227-A230 PolarHBondContact O-N 3.28Å; D227-A230 VanDerWaalsContact O-N 3.1Å
228S86.6Confident90.1Very high76 Ų7645.1 Ų45.153%0.53124%0.241SC..THydrogen-bonded Turntrans-63.7-20177.358.30000113.3L226 A230 F232L226-S228 PolarHBondContact O-N 3.46Å; S228-A230 VanDerWaalsContact C-N 3.34Å; S228-F232 WeakPolarHBondContact O-CE1 3.46Å
229E90.2Very high90.5Very high16 Ų1643.1 Ų43.18%0.07523%0.23CC..THydrogen-bonded Turntrans-98.815.4179.1-53.8161.3-17500111.4R139 R147 D227 D231 F232 F237 Y240 H241R139-E229 IonicContact CZ-OE2 3.71Å; R139-E229 VanDerWaalsContact CZ-OE2 3.3Å; R139-E229 IonicContact NH1-OE2 3.79Å; R139-E229 IonicContact NH2-OE2 3.71Å; R139-E229 PolarHBondContact NH2-OE2 3.19Å; R147-E229 IonicContact CZ-OE2 3.36Å; R147-E229 IonicContact NE-OE2 3.61Å; R147-E229 PolarHBondContact NE-OE2 2.93Å; R147-E229 IonicContact NH2-OE2 3.52Å; R147-E229 PolarHBondContact NH2-OE2 3.48Å; D227-E229 PolarHBondContact O-N 3.38Å; D227-E229 PolarHBondContact OD1-N 2.86Å; E229-D231 PolarHBondContact O-N 3.49Å; E229-F232 HydrophobicContact CB-CD1 4.46Å; E229-F232 HydrophobicContact CB-CD2 3.95Å; E229-F232 HydrophobicContact CB-CE2 4Å; E229-F232 HydrophobicContact CB-CG 4.18Å; E229-F232 HydrophobicContact CB-CZ 4.26Å; E229-F232 HydrophobicContact CG-CD2 4.31Å; E229-F232 HydrophobicContact CG-CE2 3.97Å; E229-F232 HydrophobicContact CG-CZ 4.34Å; E229-F232 WeakPolarHBondContact O-CB 3.45Å; E229-F232 PolarHBondContact O-N 3.17Å; E229-F237 HydrophobicContact CB-CD1 4.46Å; E229-F237 HydrophobicContact CB-CE1 3.59Å; E229-F237 HydrophobicContact CB-CZ 4.16Å; E229-F237 HydrophobicContact CG-CE1 4.15Å; E229-F237 WeakPolarHBondContact OE2-CE1 3.42Å; E229-Y240 HydrophobicContact CG-CE1 4.33Å; E229-H241 IonicContact OE1-CE1 2.81Å; E229-H241 IonicContact OE1-NE2 4Å
230A86.1Confident90.8Very high8 Ų842 Ų427%0.06623%0.227CC..THydrogen-bonded Turntrans-62.2138172.700000109.9D227 S228 F232D227-A230 HydrophobicContact CB-CB 4.3Å; D227-A230 WeakPolarHBondContact O-CB 3.35Å; D227-A230 PolarHBondContact O-N 3.28Å; D227-A230 VanDerWaalsContact O-N 3.1Å; S228-A230 VanDerWaalsContact C-N 3.34Å; A230-F232 VanDerWaalsContact C-N 3.28Å; A230-F232 PolarHBondContact O-N 3.04Å
231D90.6Very high91.2Very high40 Ų4044.8 Ų44.821%0.21424%0.239CC..THydrogen-bonded Turntrans72.28.6-179-156.554000116.3R219 A220 E229 K262R219-D231 WeakPolarHBondContact CD-OD1 3.29Å; R219-D231 IonicContact CZ-OD2 3.73Å; R219-D231 PolarHBondContact NH1-O 3.3Å; R219-D231 IonicContact NH1-OD1 3.99Å; R219-D231 IonicContact NH1-OD2 2.94Å; R219-D231 PolarHBondContact NH1-OD2 3.09Å; A220-D231 VanDerWaalsContact O-CA 3.23Å; A220-D231 WeakPolarHBondContact O-CA 3.43Å; A220-D231 PolarHBondContact O-N 3.41Å; E229-D231 PolarHBondContact O-N 3.49Å; D231-K262 HydrophobicContact CB-CD 4.22Å; D231-K262 HydrophobicContact CB-CG 3.63Å
232F95.5Very high91.7Very high0 Ų042.5 Ų42.50%023%0.228CC..  trans-68140.1177.8-80.328000111.7R219 A220 S228 E229 A230 L236 F237 Y240 D261 W270R219-F232 WeakPolarHBondContact CA-O 3.44Å; A220-F232 PolarHBondContact N-O 2.9Å; S228-F232 WeakPolarHBondContact O-CE1 3.46Å; E229-F232 HydrophobicContact CB-CD1 4.46Å; E229-F232 HydrophobicContact CB-CD2 3.95Å; E229-F232 HydrophobicContact CB-CE2 4Å; E229-F232 HydrophobicContact CB-CG 4.18Å; E229-F232 HydrophobicContact CB-CZ 4.26Å; E229-F232 HydrophobicContact CG-CD2 4.31Å; E229-F232 HydrophobicContact CG-CE2 3.97Å; E229-F232 HydrophobicContact CG-CZ 4.34Å; E229-F232 WeakPolarHBondContact O-CB 3.45Å; E229-F232 PolarHBondContact O-N 3.17Å; A230-F232 VanDerWaalsContact C-N 3.28Å; A230-F232 PolarHBondContact O-N 3.04Å; F232-L236 HydrophobicContact CB-CB 4.06Å; F232-L236 HydrophobicContact CD1-CD1 4.43Å; F232-L236 HydrophobicContact CD2-CB 3.91Å; F232-L236 HydrophobicContact CG-CB 3.91Å; F232-L236 HydrophobicContact CG-CD1 4.49Å; F232-F237 HydrophobicContact CB-CD1 4.24Å; F232-F237 HydrophobicContact CB-CD2 3.62Å; F232-F237 HydrophobicContact CB-CE1 4.01Å; F232-F237 HydrophobicContact CB-CE2 3.34Å; F232-F237 HydrophobicContact CB-CG 4.06Å; F232-F237 HydrophobicContact CB-CZ 3.55Å; F232-F237 AromaticContact CD2-CD1 3.8Å; F232-F237 HydrophobicContact CD2-CD1 3.8Å; F232-F237 HydrophobicContact CD2-CD2 4.5Å; F232-F237 AromaticContact CD2-CE1 3.97Å; F232-F237 HydrophobicContact CD2-CE1 3.97Å; F232-F237 HydrophobicContact CD2-CG 4.08Å; F232-F237 HydrophobicContact CD2-CZ 4.38Å; F232-F237 HydrophobicContact CG-CD1 4.49Å; F232-F237 HydrophobicContact CG-CE1 4.35Å; F232-F237 HydrophobicContact CG-CE2 4.45Å; F232-F237 HydrophobicContact CG-CZ 4.31Å; F232-Y240 HydrophobicContact CE2-CD1 4.5Å; F232-Y240 HydrophobicContact CE2-CG 4.28Å; F232-D261 HydrophobicContact CD1-CB 4.09Å; F232-D261 HydrophobicContact CE1-CB 3.92Å; F232-W270 AromaticContact CE1-CE2 3.93Å; F232-W270 HydrophobicContact CE1-CH2 4.49Å; F232-W270 AromaticContact CE1-CZ2 3.68Å; F232-W270 HydrophobicContact CE1-CZ2 3.68Å; F232-W270 HydrophobicContact CE2-CZ2 4.43Å; F232-W270 HydrophobicContact CZ-CD2 4.06Å; F232-W270 AromaticContact CZ-CE2 3.41Å; F232-W270 VanDerWaalsContact CZ-CE2 3.41Å; F232-W270 AromaticContact CZ-CH2 3.83Å; F232-W270 HydrophobicContact CZ-CH2 3.83Å; F232-W270 AromaticContact CZ-CZ2 3.3Å; F232-W270 HydrophobicContact CZ-CZ2 3.3Å; F232-W270 HydrophobicContact CZ-CZ3 4.42Å; F232-W270 AromaticContact CZ-NE1 3.79Å
233T95.6Very high92.3Very high1 Ų142.9 Ų42.91%0.00623%0.229CC..  trans-84.8164.916465.40000110L218 R219 L235 L236 F237 V259L218-T233 WeakPolarHBondContact O-CA 3.25Å; R219-T233 HydrophobicContact CG-CG2 3.76Å; T233-L235 PolarHBondContact O-N 2.87Å; T233-L235 VanDerWaalsContact O-N 3.17Å; T233-L236 PolarHBondContact O-N 3.26Å; T233-L236 PolarHBondContact OG1-N 3.26Å; T233-F237 WeakPolarHBondContact O-CD2 3.28Å; T233-F237 PolarHBondContact O-N 3.06Å; T233-F237 VanDerWaalsContact O-N 3.09Å; T233-V259 HydrophobicContact CG2-CB 4.37Å; T233-V259 HydrophobicContact CG2-CG1 4.19Å
234P96.4Very high93.2Very high0 Ų035.6 Ų35.60%020%0.195CC..Hα-helixtrans-49.3-40172.9-30.334.4000113.6L142 L218 F237 A238 L250L142-P234 HydrophobicContact CD2-CB 4.42Å; L142-P234 HydrophobicContact CD2-CG 3.82Å; L142-P234 HydrophobicContact CG-CB 4.38Å; L142-P234 HydrophobicContact CG-CG 4.07Å; L218-P234 WeakPolarHBondContact O-CD 3.47Å; P234-F237 PolarHBondContact O-N 2.8Å; P234-A238 WeakPolarHBondContact O-CB 3.29Å; P234-A238 PolarHBondContact O-N 3.45Å; P234-L250 HydrophobicContact CB-CD1 4.24Å; P234-L250 HydrophobicContact CB-CD2 3.87Å
235L97.9Very high94Very high1 Ų135.5 Ų35.51%0.00519%0.192CC..Hα-helixtrans-64.5-43.5178.1-177.862.9000112.2T233 A238 C239 V247 L250 L251 A255 V259 A267T233-L235 PolarHBondContact O-N 2.87Å; T233-L235 VanDerWaalsContact O-N 3.17Å; L235-A238 PolarHBondContact O-N 2.76Å; L235-C239 WeakPolarHBondContact O-CB 3.43Å; L235-C239 PolarHBondContact O-N 3.39Å; L235-C239 PolarHBondContact O-SG 3.29Å; L235-V247 HydrophobicContact CD1-CG1 3.97Å; L235-L250 HydrophobicContact CD1-CB 4.41Å; L235-L251 HydrophobicContact CD1-CD2 4.14Å; L235-L251 HydrophobicContact CD1-CG 4.13Å; L235-L251 HydrophobicContact CD2-CD2 3.87Å; L235-A255 HydrophobicContact CB-CB 4.42Å; L235-A255 HydrophobicContact CD2-CB 4.3Å; L235-V259 HydrophobicContact CD2-CG2 4.12Å; L235-A267 HydrophobicContact CD2-CB 4.31Å; L235-A267 HydrophobicContact CG-CB 4.29Å
236L97.8Very high94.8Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-63.3-44.2177.9-65.5179.4000111.4F232 T233 C239 Y240 V259 D261 A267F232-L236 HydrophobicContact CB-CB 4.06Å; F232-L236 HydrophobicContact CD1-CD1 4.43Å; F232-L236 HydrophobicContact CD2-CB 3.91Å; F232-L236 HydrophobicContact CG-CB 3.91Å; F232-L236 HydrophobicContact CG-CD1 4.49Å; T233-L236 PolarHBondContact O-N 3.26Å; T233-L236 PolarHBondContact OG1-N 3.26Å; L236-C239 PolarHBondContact O-N 3.47Å; L236-Y240 WeakPolarHBondContact O-CB 3.33Å; L236-Y240 PolarHBondContact O-N 3.02Å; L236-V259 HydrophobicContact CD1-CG2 4.47Å; L236-V259 HydrophobicContact CD2-CG2 3.93Å; L236-V259 HydrophobicContact CG-CG2 3.95Å; L236-D261 HydrophobicContact CD1-CB 4.25Å; L236-A267 HydrophobicContact CD2-CB 4.04Å
237F97.9Very high95.4Very high0 Ų020.5 Ų20.50%011%0.113CC..Hα-helixtrans-58.8-49.8173.6-77.6-67.5000112.1R139 H143 C146 R147 A220 E229 F232 T233 P234 C239 Y240 H241R139-F237 HydrophobicContact CG-CZ 4.23Å; H143-F237 HydrophobicContact CB-CD2 4.12Å; H143-F237 HydrophobicContact CB-CE2 3.81Å; H143-F237 HydrophobicContact CB-CZ 4.45Å; H143-F237 AromaticContact CD2-CD2 4Å; H143-F237 AromaticContact CD2-CE2 3.87Å; H143-F237 AromaticContact CG-CE2 3.87Å; C146-F237 HydrophobicContact CB-CB 3.44Å; C146-F237 VanDerWaalsContact CB-CB 3.44Å; C146-F237 HydrophobicContact CB-CG 4.39Å; R147-F237 HydrophobicContact CG-CB 4.5Å; R147-F237 HydrophobicContact CG-CD1 3.43Å; R147-F237 VanDerWaalsContact CG-CD1 3.43Å; R147-F237 HydrophobicContact CG-CE1 3.8Å; R147-F237 HydrophobicContact CG-CG 4.12Å; A220-F237 HydrophobicContact CB-CE2 3.9Å; A220-F237 HydrophobicContact CB-CZ 3.91Å; E229-F237 HydrophobicContact CB-CD1 4.46Å; E229-F237 HydrophobicContact CB-CE1 3.59Å; E229-F237 HydrophobicContact CB-CZ 4.16Å; E229-F237 HydrophobicContact CG-CE1 4.15Å; E229-F237 WeakPolarHBondContact OE2-CE1 3.42Å; F232-F237 HydrophobicContact CB-CD1 4.24Å; F232-F237 HydrophobicContact CB-CD2 3.62Å; F232-F237 HydrophobicContact CB-CE1 4.01Å; F232-F237 HydrophobicContact CB-CE2 3.34Å; F232-F237 HydrophobicContact CB-CG 4.06Å; F232-F237 HydrophobicContact CB-CZ 3.55Å; F232-F237 AromaticContact CD2-CD1 3.8Å; F232-F237 HydrophobicContact CD2-CD1 3.8Å; F232-F237 HydrophobicContact CD2-CD2 4.5Å; F232-F237 AromaticContact CD2-CE1 3.97Å; F232-F237 HydrophobicContact CD2-CE1 3.97Å; F232-F237 HydrophobicContact CD2-CG 4.08Å; F232-F237 HydrophobicContact CD2-CZ 4.38Å; F232-F237 HydrophobicContact CG-CD1 4.49Å; F232-F237 HydrophobicContact CG-CE1 4.35Å; F232-F237 HydrophobicContact CG-CE2 4.45Å; F232-F237 HydrophobicContact CG-CZ 4.31Å; T233-F237 WeakPolarHBondContact O-CD2 3.28Å; T233-F237 PolarHBondContact O-N 3.06Å; T233-F237 VanDerWaalsContact O-N 3.09Å; P234-F237 PolarHBondContact O-N 2.8Å; F237-C239 VanDerWaalsContact C-N 3.3Å; F237-C239 PolarHBondContact O-N 3.01Å; F237-Y240 PolarHBondContact O-N 3.12Å; F237-H241 PolarHBondContact O-CD2 3.33Å; F237-H241 VanDerWaalsContact O-CD2 3.26Å; F237-H241 PolarHBondContact O-N 3.47Å
238A98.2Very high95.9Very high0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-63.2-35.9-177.700000112.5C146 P234 L235 G242 H243 L246 V247 L250C146-A238 HydrophobicContact CB-CB 4.43Å; P234-A238 WeakPolarHBondContact O-CB 3.29Å; P234-A238 PolarHBondContact O-N 3.45Å; L235-A238 PolarHBondContact O-N 2.76Å; A238-G242 PolarHBondContact O-N 3.03Å; A238-G242 VanDerWaalsContact O-N 3.14Å; A238-H243 HydrophobicContact CB-CB 4.4Å; A238-H243 PolarHBondContact O-N 3.5Å; A238-L246 HydrophobicContact CB-CD2 4.26Å; A238-L246 HydrophobicContact CB-CG 4.35Å; A238-V247 HydrophobicContact CB-CG2 3.7Å; A238-L250 HydrophobicContact CB-CD1 3.81Å
239C98.3Very high96.4Very high0 Ų019.9 Ų19.90%010%0.103CC..Hα-helixtrans-70.8-40.9174.6-64.90000112.2L235 L236 F237 A271 H276 I279L235-C239 WeakPolarHBondContact O-CB 3.43Å; L235-C239 PolarHBondContact O-N 3.39Å; L235-C239 PolarHBondContact O-SG 3.29Å; L236-C239 PolarHBondContact O-N 3.47Å; F237-C239 VanDerWaalsContact C-N 3.3Å; F237-C239 PolarHBondContact O-N 3.01Å; C239-A271 HydrophobicContact CB-CB 4.47Å; C239-H276 PolarHBondContact O-CD2 2.94Å; C239-H276 VanDerWaalsContact O-CD2 3.28Å; C239-I279 HydrophobicContact CB-CG2 4.27Å
240Y97.5Very high96.8Very high54 Ų5419.1 Ų19.121%0.21210%0.1CC..Hα-helixtrans-67.2-35.1178-179.8-110.8000112.9E229 F232 L236 F237 W270 Q274E229-Y240 HydrophobicContact CG-CE1 4.33Å; F232-Y240 HydrophobicContact CE2-CD1 4.5Å; F232-Y240 HydrophobicContact CE2-CG 4.28Å; L236-Y240 WeakPolarHBondContact O-CB 3.33Å; L236-Y240 PolarHBondContact O-N 3.02Å; F237-Y240 PolarHBondContact O-N 3.12Å; Y240-W270 HydrophobicContact CD2-CD2 4.11Å; Y240-W270 AromaticContact CD2-CE3 3.34Å; Y240-W270 HydrophobicContact CD2-CE3 3.34Å; Y240-W270 AromaticContact CD2-CZ3 3.78Å; Y240-W270 HydrophobicContact CD2-CZ3 3.78Å; Y240-W270 AromaticContact CE2-CE3 3.71Å; Y240-W270 HydrophobicContact CE2-CE3 3.71Å; Y240-W270 AromaticContact CE2-CZ3 3.65Å; Y240-W270 HydrophobicContact CE2-CZ3 3.65Å; Y240-W270 HydrophobicContact CG-CE3 4.35Å; Y240-Q274 HydrophobicContact CD2-CG 3.85Å; Y240-Q274 HydrophobicContact CE2-CG 4.16Å; Y240-Q274 VanDerWaalsContact CE2-NE2 3.27Å
241H97.3Very high97.3Very high58 Ų5819.1 Ų19.127%0.26910%0.099SC..THydrogen-bonded Turntrans-95.82.1-178.9-68-65000114.6C146 R147 E229 F237C146-H241 PolarHBondContact O-CD2 2.93Å; R147-H241 WeakPolarHBondContact CG-NE2 3.23Å; E229-H241 IonicContact OE1-CE1 2.81Å; E229-H241 IonicContact OE1-NE2 4Å; F237-H241 PolarHBondContact O-CD2 3.33Å; F237-H241 VanDerWaalsContact O-CD2 3.26Å; F237-H241 PolarHBondContact O-N 3.47Å
242G97.8Very high97.5Very high25 Ų2522.6 Ų22.626%0.25812%0.117SC..THydrogen-bonded Turntrans77.927.717200000115.3A238 L244 H276A238-G242 PolarHBondContact O-N 3.03Å; A238-G242 VanDerWaalsContact O-N 3.14Å; G242-L244 PolarHBondContact O-N 3.41Å; G242-L244 VanDerWaalsContact O-N 3.17Å; G242-H276 VanDerWaalsContact CA-NE2 3.29Å; G242-H276 WeakPolarHBondContact CA-NE2 3.4Å; G242-H276 PolarHBondContact N-NE2 2.8Å
243H98.2Very high97.4Very high19 Ų1929 Ų299%0.08814%0.142CC..  trans-88.472.7-179.3-63.8-53.8000112.8C146 T148 A238 E245 L246 V247C146-H243 PolarHBondContact O-CD2 3.44Å; C146-H243 PolarHBondContact O-NE2 3.2Å; T148-H243 VanDerWaalsContact CG2-CE1 3.5Å; T148-H243 WeakPolarHBondContact CG2-CE1 3.32Å; T148-H243 PolarHBondContact O-CE1 3.32Å; T148-H243 PolarHBondContact O-NE2 3.45Å; A238-H243 HydrophobicContact CB-CB 4.4Å; A238-H243 PolarHBondContact O-N 3.5Å; H243-E245 PolarHBondContact O-N 2.94Å; H243-L246 HydrophobicContact CB-CB 3.79Å; H243-L246 HydrophobicContact CB-CD2 4.31Å; H243-L246 WeakPolarHBondContact O-CB 3.46Å; H243-L246 PolarHBondContact O-N 3.06Å; H243-V247 WeakPolarHBondContact O-CG2 3.48Å; H243-V247 PolarHBondContact O-N 3.27Å
244L98.5Very high97.2Very high35 Ų3531.6 Ų31.618%0.18317%0.168CC..Hα-helixtrans-45.3-55.1-176.4178.366.1000114.4G242 L246 V247 K248 D278 I279 V282G242-L244 PolarHBondContact O-N 3.41Å; G242-L244 VanDerWaalsContact O-N 3.17Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.48Å; L244-V247 WeakPolarHBondContact O-CB 3.45Å; L244-V247 PolarHBondContact O-N 3.26Å; L244-K248 PolarHBondContact O-N 3.42Å; L244-D278 HydrophobicContact CD1-CB 4.05Å; L244-D278 HydrophobicContact CD2-CB 4.1Å; L244-I279 HydrophobicContact CB-CG1 4.21Å; L244-I279 HydrophobicContact CD1-CG1 3.9Å; L244-V282 HydrophobicContact CD1-CG2 3.83Å
245E98.5Very high97.1Very high74 Ų7432 Ų3235%0.34617%0.171SC..Hα-helixtrans-67.8-30.5-176.2-63.4-56.2124.500112.4L157 H243 K248 A249L157-E245 HydrophobicContact CD1-CB 4.25Å; H243-E245 PolarHBondContact O-N 2.94Å; E245-K248 IonicContact OE1-NZ 3.19Å; E245-K248 PolarHBondContact OE1-NZ 3.17Å; E245-K248 IonicContact OE2-NZ 3.8Å; E245-A249 WeakPolarHBondContact O-CB 3.33Å; E245-A249 PolarHBondContact O-N 3.42Å; E245-A249 VanDerWaalsContact O-N 3.07Å
246L98.4Very high96.9Very high3 Ų335.5 Ų35.52%0.01619%0.19CC..Hα-helixtrans-73.1-37.3173.7-173.460.1000111.3C146 I156 L157 F160 A238 H243 L244 A249 L250C146-L246 HydrophobicContact CB-CD2 4.27Å; I156-L246 HydrophobicContact CG2-CB 4.29Å; I156-L246 HydrophobicContact CG2-CD1 4.31Å; I156-L246 HydrophobicContact CG2-CD2 3.91Å; I156-L246 HydrophobicContact CG2-CG 4.41Å; L157-L246 HydrophobicContact CD2-CD1 4.41Å; F160-L246 HydrophobicContact CB-CD1 3.92Å; F160-L246 HydrophobicContact CD1-CD1 4.06Å; F160-L246 HydrophobicContact CD2-CD1 3.8Å; F160-L246 HydrophobicContact CE1-CD1 4.45Å; F160-L246 HydrophobicContact CE2-CD1 4.24Å; F160-L246 HydrophobicContact CG-CD1 3.68Å; A238-L246 HydrophobicContact CB-CD2 4.26Å; A238-L246 HydrophobicContact CB-CG 4.35Å; H243-L246 HydrophobicContact CB-CB 3.79Å; H243-L246 HydrophobicContact CB-CD2 4.31Å; H243-L246 WeakPolarHBondContact O-CB 3.46Å; H243-L246 PolarHBondContact O-N 3.06Å; L244-L246 VanDerWaalsContact C-N 3.28Å; L244-L246 PolarHBondContact O-N 3.48Å; L246-A249 PolarHBondContact O-N 2.95Å; L246-L250 HydrophobicContact CG-CD1 4.1Å; L246-L250 HydrophobicContact CG-CG 4.46Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 VanDerWaalsContact O-CG 3.22Å; L246-L250 WeakPolarHBondContact O-CG 3.14Å; L246-L250 PolarHBondContact O-N 3.36Å
247V98.5Very high96.8Very high0 Ų036.6 Ų36.60%020%0.197CC..Hα-helixtrans-58.5-49.9173.11700000110.5L235 A238 H243 L244 A249 L250 L251 I279 V282 L283L235-V247 HydrophobicContact CD1-CG1 3.97Å; A238-V247 HydrophobicContact CB-CG2 3.7Å; H243-V247 WeakPolarHBondContact O-CG2 3.48Å; H243-V247 PolarHBondContact O-N 3.27Å; L244-V247 WeakPolarHBondContact O-CB 3.45Å; L244-V247 PolarHBondContact O-N 3.26Å; V247-A249 PolarHBondContact O-N 3.45Å; V247-L250 PolarHBondContact O-N 3.09Å; V247-L251 HydrophobicContact CG1-CD1 3.73Å; V247-L251 HydrophobicContact CG1-CG 4.39Å; V247-L251 VanDerWaalsContact O-CG 3.32Å; V247-L251 WeakPolarHBondContact O-CG 3.4Å; V247-L251 PolarHBondContact O-N 3.05Å; V247-I279 HydrophobicContact CG1-CG2 4.3Å; V247-I279 HydrophobicContact CG2-CD1 4.19Å; V247-I279 HydrophobicContact CG2-CG2 4.27Å; V247-V282 HydrophobicContact CG1-CG1 4.3Å; V247-L283 HydrophobicContact CG1-CD2 4.49Å
248K98.5Very high96.7Very high65 Ų6540.2 Ų40.228%0.28322%0.222SC..Hα-helixtrans-55.9-50.6175-67.9173.6-174.8165.70111.3L244 E245 L250 L251 D252 V282L244-K248 PolarHBondContact O-N 3.42Å; E245-K248 IonicContact OE1-NZ 3.19Å; E245-K248 PolarHBondContact OE1-NZ 3.17Å; E245-K248 IonicContact OE2-NZ 3.8Å; K248-L250 VanDerWaalsContact C-N 3.3Å; K248-L250 PolarHBondContact O-N 3Å; K248-L251 PolarHBondContact O-N 3.3Å; K248-D252 WeakPolarHBondContact O-CB 3.21Å; K248-D252 PolarHBondContact O-N 3.17Å; K248-V282 HydrophobicContact CG-CG1 3.97Å; K248-V282 HydrophobicContact CG-CG2 4.16Å
249A97.8Very high96.4Very high18 Ų1840.8 Ų40.815%0.14923%0.225CC..Hα-helixtrans-63.1-32.2-179.300000113.9L157 F160 E245 L246 V247 R253L157-A249 HydrophobicContact CD2-CB 3.64Å; F160-A249 HydrophobicContact CD1-CB 4.29Å; F160-A249 HydrophobicContact CE1-CB 3.88Å; E245-A249 WeakPolarHBondContact O-CB 3.33Å; E245-A249 PolarHBondContact O-N 3.42Å; E245-A249 VanDerWaalsContact O-N 3.07Å; L246-A249 PolarHBondContact O-N 2.95Å; V247-A249 PolarHBondContact O-N 3.45Å; A249-R253 VanDerWaalsContact O-CG 3.25Å; A249-R253 WeakPolarHBondContact O-CG 3.4Å; A249-R253 PolarHBondContact O-N 3.28Å
250L97Very high96.2Very high0 Ų042.5 Ų42.50%024%0.236CC..Hα-helixtrans-69.1-47.8173.4-75.4165.2000110.9F160 M216 P234 L235 A238 L246 V247 K248 R253 G254 A255F160-L250 HydrophobicContact CE2-CD2 3.58Å; F160-L250 HydrophobicContact CE2-CG 4.27Å; F160-L250 HydrophobicContact CZ-CD2 3.65Å; F160-L250 HydrophobicContact CZ-CG 4.1Å; M216-L250 HydrophobicContact CE-CD2 4.32Å; M216-L250 HydrophobicContact SD-CD2 3.52Å; M216-L250 VanDerWaalsContact SD-CD2 3.52Å; P234-L250 HydrophobicContact CB-CD1 4.24Å; P234-L250 HydrophobicContact CB-CD2 3.87Å; L235-L250 HydrophobicContact CD1-CB 4.41Å; A238-L250 HydrophobicContact CB-CD1 3.81Å; L246-L250 HydrophobicContact CG-CD1 4.1Å; L246-L250 HydrophobicContact CG-CG 4.46Å; L246-L250 WeakPolarHBondContact O-CB 3.4Å; L246-L250 VanDerWaalsContact O-CG 3.22Å; L246-L250 WeakPolarHBondContact O-CG 3.14Å; L246-L250 PolarHBondContact O-N 3.36Å; V247-L250 PolarHBondContact O-N 3.09Å; K248-L250 VanDerWaalsContact C-N 3.3Å; K248-L250 PolarHBondContact O-N 3Å; L250-R253 CarbonylContact O-C 3.47Å; L250-R253 PolarHBondContact O-N 2.85Å; L250-G254 PolarHBondContact O-N 3.3Å; L250-A255 HydrophobicContact CB-CB 4.03Å; L250-A255 WeakPolarHBondContact O-CB 3.46Å; L250-A255 PolarHBondContact O-N 3.38Å
251L96.4Very high96Very high9 Ų940.3 Ų40.35%0.04723%0.228CC..Hα-helixtrans-65.4-42.4-179.9-68.6168.6000112.2L235 V247 K248 R253 G254 V257 V282 L283 Y286L235-L251 HydrophobicContact CD1-CD2 4.14Å; L235-L251 HydrophobicContact CD1-CG 4.13Å; L235-L251 HydrophobicContact CD2-CD2 3.87Å; V247-L251 HydrophobicContact CG1-CD1 3.73Å; V247-L251 HydrophobicContact CG1-CG 4.39Å; V247-L251 VanDerWaalsContact O-CG 3.32Å; V247-L251 WeakPolarHBondContact O-CG 3.4Å; V247-L251 PolarHBondContact O-N 3.05Å; K248-L251 PolarHBondContact O-N 3.3Å; L251-R253 PolarHBondContact O-N 3.46Å; L251-R253 VanDerWaalsContact O-N 3.15Å; L251-G254 WeakPolarHBondContact O-CA 3.47Å; L251-G254 PolarHBondContact O-N 2.8Å; L251-V257 HydrophobicContact CD2-CB 4.16Å; L251-V257 HydrophobicContact CD2-CG2 4.33Å; L251-V282 HydrophobicContact CD1-CG1 3.73Å; L251-L283 HydrophobicContact CD1-CD2 4.27Å; L251-Y286 HydrophobicContact CB-CD1 3.65Å; L251-Y286 HydrophobicContact CB-CD2 4.49Å; L251-Y286 HydrophobicContact CB-CE1 3.52Å; L251-Y286 HydrophobicContact CB-CE2 4.38Å; L251-Y286 HydrophobicContact CB-CG 4.13Å; L251-Y286 HydrophobicContact CD1-CD1 4.32Å; L251-Y286 HydrophobicContact CD1-CD2 3.91Å; L251-Y286 HydrophobicContact CD1-CE2 4.22Å; L251-Y286 HydrophobicContact CD1-CG 3.92Å; L251-Y286 HydrophobicContact CD2-CD1 4.42Å; L251-Y286 HydrophobicContact CD2-CG 4.47Å; L251-Y286 HydrophobicContact CG-CD1 4.35Å; L251-Y286 HydrophobicContact CG-CG 4.41Å
252D95.6Very high95.7Very high113 Ų11343.4 Ų43.460%0.60424%0.241SC*.Hα-helixtrans-59.4-25.8174.4-77.1-24.5000113.1K248 G254 Y286K248-D252 WeakPolarHBondContact O-CB 3.21Å; K248-D252 PolarHBondContact O-N 3.17Å; D252-G254 VanDerWaalsContact C-N 3.33Å; D252-Y286 PolarHBondContact OD1-OH 3.15Å
253R93.7Very high95.4Very high135 Ų13546.2 Ų46.251%0.50925%0.25SC..THydrogen-bonded Turntrans-92.48.9175.9-69.8-177.6-178.3-731.7113.3M216 A249 L250 L251M216-R253 HydrophobicContact CE-CB 3.68Å; M216-R253 HydrophobicContact CE-CG 4.31Å; A249-R253 VanDerWaalsContact O-CG 3.25Å; A249-R253 WeakPolarHBondContact O-CG 3.4Å; A249-R253 PolarHBondContact O-N 3.28Å; L250-R253 CarbonylContact O-C 3.47Å; L250-R253 PolarHBondContact O-N 2.85Å; L251-R253 PolarHBondContact O-N 3.46Å; L251-R253 VanDerWaalsContact O-N 3.15Å
254G91.5Very high95.2Very high54 Ų5449.8 Ų49.856%0.55727%0.266SS*.THydrogen-bonded Turntrans88.218.3174.400000115L250 L251 D252 N256L250-G254 PolarHBondContact O-N 3.3Å; L251-G254 WeakPolarHBondContact O-CA 3.47Å; L251-G254 PolarHBondContact O-N 2.8Å; D252-G254 VanDerWaalsContact C-N 3.33Å; G254-N256 PolarHBondContact O-N 2.9Å
255A93.7Very high95.1Very high8 Ų849.5 Ų49.57%0.06626%0.263CS..  trans-56.2127.617100000110.1M216 L235 L250 V257M216-A255 HydrophobicContact CB-CB 3.91Å; M216-A255 HydrophobicContact CG-CB 4.3Å; L235-A255 HydrophobicContact CB-CB 4.42Å; L235-A255 HydrophobicContact CD2-CB 4.3Å; L250-A255 HydrophobicContact CB-CB 4.03Å; L250-A255 WeakPolarHBondContact O-CB 3.46Å; L250-A255 PolarHBondContact O-N 3.38Å; A255-V257 PolarHBondContact O-N 3.4Å; A255-V257 VanDerWaalsContact O-N 3.12Å
256N94.1Very high95.1Very high75 Ų7546.5 Ų46.540%0.40125%0.25SC..  trans-67.2113.7-177.7174.513.8000110.8G254 S258 V259G254-N256 PolarHBondContact O-N 2.9Å; N256-S258 VanDerWaalsContact CG-OG 3.3Å; N256-S258 PolarHBondContact ND2-OG 2.93Å; N256-S258 PolarHBondContact O-N 3.36Å; N256-S258 WeakPolarHBondContact OD1-CB 3.15Å; N256-S258 PolarHBondContact OD1-N 2.98Å; N256-S258 PolarHBondContact OD1-OG 2.98Å; N256-V259 HydrophobicContact CB-CG1 3.87Å; N256-V259 VanDerWaalsContact O-CG1 3.24Å; N256-V259 WeakPolarHBondContact O-CG1 3.48Å; N256-V259 VanDerWaalsContact O-CG2 3.25Å; N256-V259 WeakPolarHBondContact O-CG2 3.15Å; N256-V259 PolarHBondContact O-N 3.13Å
257V95.8Very high95Very high24 Ų2446.4 Ų46.415%0.14525%0.249CC..THydrogen-bonded Turntrans-62.9-24.2178.972.60000113.4L251 A255 V259 L283 A288L251-V257 HydrophobicContact CD2-CB 4.16Å; L251-V257 HydrophobicContact CD2-CG2 4.33Å; A255-V257 PolarHBondContact O-N 3.4Å; A255-V257 VanDerWaalsContact O-N 3.12Å; V257-V259 VanDerWaalsContact C-N 3.33Å; V257-V259 PolarHBondContact O-N 2.96Å; V257-L283 HydrophobicContact CG2-CD2 3.96Å; V257-A288 HydrophobicContact CG2-CB 3.72Å
258S94.6Very high95Very high76 Ų7646.4 Ų46.453%0.53125%0.249SC..THydrogen-bonded Turntrans-88.77.7-178.470.10000114.2N256N256-S258 VanDerWaalsContact CG-OG 3.3Å; N256-S258 PolarHBondContact ND2-OG 2.93Å; N256-S258 PolarHBondContact O-N 3.36Å; N256-S258 WeakPolarHBondContact OD1-CB 3.15Å; N256-S258 PolarHBondContact OD1-N 2.98Å; N256-S258 PolarHBondContact OD1-OG 2.98Å
259V93.4Very high94.9Very high11 Ų1143.3 Ų43.37%0.06724%0.236CC..  trans-57.6142.8175.2-70.40000111.2T233 L235 L236 N256 V257 T266T233-V259 HydrophobicContact CG2-CB 4.37Å; T233-V259 HydrophobicContact CG2-CG1 4.19Å; L235-V259 HydrophobicContact CD2-CG2 4.12Å; L236-V259 HydrophobicContact CD1-CG2 4.47Å; L236-V259 HydrophobicContact CD2-CG2 3.93Å; L236-V259 HydrophobicContact CG-CG2 3.95Å; N256-V259 HydrophobicContact CB-CG1 3.87Å; N256-V259 VanDerWaalsContact O-CG1 3.24Å; N256-V259 WeakPolarHBondContact O-CG1 3.48Å; N256-V259 VanDerWaalsContact O-CG2 3.25Å; N256-V259 WeakPolarHBondContact O-CG2 3.15Å; N256-V259 PolarHBondContact O-N 3.13Å; V257-V259 VanDerWaalsContact C-N 3.33Å; V257-V259 PolarHBondContact O-N 2.96Å; V259-T266 WeakPolarHBondContact O-CA 3.4Å
260T94.5Very high94.9Very high37 Ų3743.5 Ų43.523%0.22723%0.232CC..BIsolated β-bridgetrans-128.3154.8175.155.40000111.7R219 W265 T266R219-T260 PolarHBondContact NH1-O 2.94Å; R219-T260 PolarHBondContact NH2-O 3.43Å; T260-W265 CarbonylContact C-O 3.55Å; T260-W265 WeakPolarHBondContact CA-O 3.47Å; T260-T266 HydrophobicContact CG2-CG2 3.59Å
261D92.4Very high94.9Very high7 Ų743.5 Ų43.54%0.03723%0.232CC..  trans-80.8-171.816881.6-17000111.9F232 L236 N263 H264 W265 W270F232-D261 HydrophobicContact CD1-CB 4.09Å; F232-D261 HydrophobicContact CE1-CB 3.92Å; L236-D261 HydrophobicContact CD1-CB 4.25Å; D261-N263 PolarHBondContact O-N 3.01Å; D261-N263 WeakPolarHBondContact OD1-CA 3.43Å; D261-N263 PolarHBondContact OD1-N 3.49Å; D261-H264 PolarHBondContact O-N 3.39Å; D261-H264 VanDerWaalsContact O-N 3.11Å; D261-H264 PolarHBondContact OD1-N 3.35Å; D261-H264 VanDerWaalsContact OD1-N 3.09Å; D261-W265 PolarHBondContact N-O 3.26Å; D261-W265 WeakPolarHBondContact OD1-CB 3.45Å; D261-W265 PolarHBondContact OD1-N 2.93Å; D261-W270 WeakPolarHBondContact OD2-CZ2 3.28Å
262K90.7Very high95Very high124 Ų12443 Ų4354%0.53923%0.23SC..THydrogen-bonded Turntrans-60.6-23.4177.2-63.5-178.5-175.1177.50114.4D231D231-K262 HydrophobicContact CB-CD 4.22Å; D231-K262 HydrophobicContact CB-CG 3.63Å
263N91.9Very high95Very high83 Ų8341.2 Ų41.244%0.44422%0.218SC..THydrogen-bonded Turntrans-97.810-179.7-59.7-52.8000112.4D261 W265 F295D261-N263 PolarHBondContact O-N 3.01Å; D261-N263 WeakPolarHBondContact OD1-CA 3.43Å; D261-N263 PolarHBondContact OD1-N 3.49Å; N263-W265 PolarHBondContact O-N 3.27Å; N263-F295 WeakPolarHBondContact O-CB 3.46Å; N263-F295 PolarHBondContact O-N 3.44Å
264H94.3Very high95.2Very high94 Ų9438.2 Ų38.244%0.43521%0.21SC..  trans64.120.3-172.7-63-62.8000114.8D261 T266D261-H264 PolarHBondContact O-N 3.39Å; D261-H264 VanDerWaalsContact O-N 3.11Å; D261-H264 PolarHBondContact OD1-N 3.35Å; D261-H264 VanDerWaalsContact OD1-N 3.09Å; H264-T266 PolarHBondContact O-N 2.86Å
265W96.8Very high95.4Very high29 Ų2938 Ų3811%0.1120%0.199CC..  trans-73.3120.6172.1-80.643.3000110.1T260 D261 N263 H269 W270 Q273 D294 V303T260-W265 CarbonylContact C-O 3.55Å; T260-W265 WeakPolarHBondContact CA-O 3.47Å; D261-W265 PolarHBondContact N-O 3.26Å; D261-W265 WeakPolarHBondContact OD1-CB 3.45Å; D261-W265 PolarHBondContact OD1-N 2.93Å; N263-W265 PolarHBondContact O-N 3.27Å; W265-H269 HydrophobicContact CB-CB 4.13Å; W265-H269 HydrophobicContact CD2-CB 3.89Å; W265-H269 HydrophobicContact CE3-CB 3.64Å; W265-H269 HydrophobicContact CG-CB 4.14Å; W265-H269 HydrophobicContact CZ3-CB 4.24Å; W265-W270 HydrophobicContact CB-CZ2 4.29Å; W265-W270 HydrophobicContact CD2-CZ2 4.25Å; W265-W270 AromaticContact CE3-CD2 3.58Å; W265-W270 HydrophobicContact CE3-CD2 3.58Å; W265-W270 AromaticContact CE3-CE2 3.63Å; W265-W270 AromaticContact CE3-CE3 3.73Å; W265-W270 HydrophobicContact CE3-CE3 3.73Å; W265-W270 HydrophobicContact CE3-CG 4.1Å; W265-W270 HydrophobicContact CE3-CH2 4.09Å; W265-W270 AromaticContact CE3-CZ2 3.88Å; W265-W270 HydrophobicContact CE3-CZ2 3.88Å; W265-W270 HydrophobicContact CE3-CZ3 4.01Å; W265-W270 HydrophobicContact CG-CZ2 4.44Å; W265-W270 HydrophobicContact CZ3-CD2 4.14Å; W265-W270 AromaticContact CZ3-CE3 3.83Å; W265-W270 HydrophobicContact CZ3-CE3 3.83Å; W265-W270 HydrophobicContact CZ3-CH2 4.43Å; W265-W270 HydrophobicContact CZ3-CZ3 4.01Å; W265-Q273 HydrophobicContact CH2-CB 4.24Å; W265-Q273 VanDerWaalsContact CH2-CD 3.47Å; W265-Q273 HydrophobicContact CH2-CG 4.28Å; W265-Q273 HydrophobicContact CZ3-CB 3.88Å; W265-Q273 HydrophobicContact CZ3-CG 4.25Å; W265-D294 PolarHBondContact NE1-OD2 2.97Å; W265-V303 HydrophobicContact CH2-CB 3.96Å; W265-V303 HydrophobicContact CH2-CG1 3.88Å; W265-V303 HydrophobicContact CH2-CG2 4.35Å; W265-V303 HydrophobicContact CZ2-CB 4.4Å; W265-V303 HydrophobicContact CZ2-CG1 3.8Å
266T97Very high95.5Very high12 Ų1239.9 Ų39.97%0.07421%0.206CC..BIsolated β-bridgetrans-78.6167.7173.863.80000111.6V259 T260 H264 L268 H269 W270 A292V259-T266 WeakPolarHBondContact O-CA 3.4Å; T260-T266 HydrophobicContact CG2-CG2 3.59Å; H264-T266 PolarHBondContact O-N 2.86Å; T266-L268 PolarHBondContact O-N 2.88Å; T266-L268 VanDerWaalsContact O-N 3.15Å; T266-L268 PolarHBondContact OG1-N 3.35Å; T266-H269 PolarHBondContact N-ND1 3.44Å; T266-H269 WeakPolarHBondContact O-CB 3.37Å; T266-H269 PolarHBondContact O-N 3.47Å; T266-H269 PolarHBondContact OG1-N 3.48Å; T266-H269 PolarHBondContact OG1-ND1 3Å; T266-W270 PolarHBondContact O-N 2.92Å; T266-A292 HydrophobicContact CG2-CB 3.62Å
267A97.5Very high95.7Very high0 Ų039 Ų390%021%0.21CC..Hα-helixtrans-50.4-37.3168.800000112.4L235 L236 W270 A271 L283L235-A267 HydrophobicContact CD2-CB 4.31Å; L235-A267 HydrophobicContact CG-CB 4.29Å; L236-A267 HydrophobicContact CD2-CB 4.04Å; A267-W270 PolarHBondContact O-N 3.1Å; A267-A271 WeakPolarHBondContact O-CB 3.45Å; A267-A271 PolarHBondContact O-N 3.31Å; A267-L283 HydrophobicContact CB-CD1 3.98Å; A267-L283 HydrophobicContact CB-CD2 3.84Å
268L97.6Very high95.8Very high1 Ų141.3 Ų41.31%0.00522%0.221CC..Hα-helixtrans-67.6-36.6178.2-170.660.9000112.9T266 A272 V280 L283 L284 A288 I290 P300 L313T266-L268 PolarHBondContact O-N 2.88Å; T266-L268 VanDerWaalsContact O-N 3.15Å; T266-L268 PolarHBondContact OG1-N 3.35Å; L268-A272 WeakPolarHBondContact O-CB 3.34Å; L268-A272 PolarHBondContact O-N 3.02Å; L268-V280 HydrophobicContact CD1-CB 4.32Å; L268-V280 HydrophobicContact CD1-CG1 3.85Å; L268-V280 HydrophobicContact CD1-CG2 4.14Å; L268-L283 HydrophobicContact CB-CD1 4.46Å; L268-L283 HydrophobicContact CD1-CB 4.27Å; L268-L283 HydrophobicContact CD1-CD1 4.37Å; L268-L284 HydrophobicContact CD1-CD2 4.4Å; L268-L284 HydrophobicContact CD1-CG 4.46Å; L268-L284 HydrophobicContact CD2-CD2 4.02Å; L268-A288 HydrophobicContact CB-CB 4.22Å; L268-A288 HydrophobicContact CD2-CB 4.04Å; L268-I290 HydrophobicContact CD2-CG2 4.22Å; L268-P300 HydrophobicContact CB-CG 4.32Å; L268-P300 HydrophobicContact CD2-CB 4.14Å; L268-P300 HydrophobicContact CD2-CG 3.83Å; L268-P300 HydrophobicContact CG-CB 3.89Å; L268-P300 HydrophobicContact CG-CG 3.91Å; L268-L313 HydrophobicContact CD1-CD2 4.1Å; L268-L313 HydrophobicContact CD2-CD2 4.25Å; L268-L313 HydrophobicContact CG-CD2 4.4Å
269H97.5Very high96Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-63.4-46.5174.2-71.686.6000111.4W265 T266 A272 Q273 A292 C298 P300 V303W265-H269 HydrophobicContact CB-CB 4.13Å; W265-H269 HydrophobicContact CD2-CB 3.89Å; W265-H269 HydrophobicContact CE3-CB 3.64Å; W265-H269 HydrophobicContact CG-CB 4.14Å; W265-H269 HydrophobicContact CZ3-CB 4.24Å; T266-H269 PolarHBondContact N-ND1 3.44Å; T266-H269 WeakPolarHBondContact O-CB 3.37Å; T266-H269 PolarHBondContact O-N 3.47Å; T266-H269 PolarHBondContact OG1-N 3.48Å; T266-H269 PolarHBondContact OG1-ND1 3Å; H269-A272 PolarHBondContact O-N 3.17Å; H269-Q273 WeakPolarHBondContact O-CB 3.39Å; H269-Q273 PolarHBondContact O-N 3.02Å; H269-A292 PolarHBondContact CE1-O 3.38Å; H269-A292 VanDerWaalsContact CE1-O 3.26Å; H269-A292 PolarHBondContact NE2-O 3.29Å; H269-C298 PolarHBondContact NE2-O 2.95Å; H269-P300 WeakPolarHBondContact NE2-CD 3.32Å; H269-V303 HydrophobicContact CB-CG2 4.37Å
270W97.3Very high96.2Very high21 Ų2137.4 Ų37.48%0.0819%0.194CC..Hα-helixtrans-65-46.2179.3-71110.2000112.3F232 Y240 D261 W265 T266 A267 A272 Q273 Q274F232-W270 AromaticContact CE1-CE2 3.93Å; F232-W270 HydrophobicContact CE1-CH2 4.49Å; F232-W270 AromaticContact CE1-CZ2 3.68Å; F232-W270 HydrophobicContact CE1-CZ2 3.68Å; F232-W270 HydrophobicContact CE2-CZ2 4.43Å; F232-W270 HydrophobicContact CZ-CD2 4.06Å; F232-W270 AromaticContact CZ-CE2 3.41Å; F232-W270 VanDerWaalsContact CZ-CE2 3.41Å; F232-W270 AromaticContact CZ-CH2 3.83Å; F232-W270 HydrophobicContact CZ-CH2 3.83Å; F232-W270 AromaticContact CZ-CZ2 3.3Å; F232-W270 HydrophobicContact CZ-CZ2 3.3Å; F232-W270 HydrophobicContact CZ-CZ3 4.42Å; F232-W270 AromaticContact CZ-NE1 3.79Å; Y240-W270 HydrophobicContact CD2-CD2 4.11Å; Y240-W270 AromaticContact CD2-CE3 3.34Å; Y240-W270 HydrophobicContact CD2-CE3 3.34Å; Y240-W270 AromaticContact CD2-CZ3 3.78Å; Y240-W270 HydrophobicContact CD2-CZ3 3.78Å; Y240-W270 AromaticContact CE2-CE3 3.71Å; Y240-W270 HydrophobicContact CE2-CE3 3.71Å; Y240-W270 AromaticContact CE2-CZ3 3.65Å; Y240-W270 HydrophobicContact CE2-CZ3 3.65Å; Y240-W270 HydrophobicContact CG-CE3 4.35Å; D261-W270 WeakPolarHBondContact OD2-CZ2 3.28Å; W265-W270 HydrophobicContact CB-CZ2 4.29Å; W265-W270 HydrophobicContact CD2-CZ2 4.25Å; W265-W270 AromaticContact CE3-CD2 3.58Å; W265-W270 HydrophobicContact CE3-CD2 3.58Å; W265-W270 AromaticContact CE3-CE2 3.63Å; W265-W270 AromaticContact CE3-CE3 3.73Å; W265-W270 HydrophobicContact CE3-CE3 3.73Å; W265-W270 HydrophobicContact CE3-CG 4.1Å; W265-W270 HydrophobicContact CE3-CH2 4.09Å; W265-W270 AromaticContact CE3-CZ2 3.88Å; W265-W270 HydrophobicContact CE3-CZ2 3.88Å; W265-W270 HydrophobicContact CE3-CZ3 4.01Å; W265-W270 HydrophobicContact CG-CZ2 4.44Å; W265-W270 HydrophobicContact CZ3-CD2 4.14Å; W265-W270 AromaticContact CZ3-CE3 3.83Å; W265-W270 HydrophobicContact CZ3-CE3 3.83Å; W265-W270 HydrophobicContact CZ3-CH2 4.43Å; W265-W270 HydrophobicContact CZ3-CZ3 4.01Å; T266-W270 PolarHBondContact O-N 2.92Å; A267-W270 PolarHBondContact O-N 3.1Å; W270-A272 VanDerWaalsContact C-N 3.3Å; W270-A272 PolarHBondContact O-N 3.37Å; W270-Q273 PolarHBondContact O-N 2.87Å; W270-Q274 WeakPolarHBondContact O-CG 3.48Å; W270-Q274 PolarHBondContact O-N 3.07Å
271A97.7Very high96.3Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-60.8-39.217600000112.1C239 A267 C275 H276 I279 V280 L283C239-A271 HydrophobicContact CB-CB 4.47Å; A267-A271 WeakPolarHBondContact O-CB 3.45Å; A267-A271 PolarHBondContact O-N 3.31Å; A271-C275 PolarHBondContact O-N 3.01Å; A271-C275 VanDerWaalsContact O-N 3.12Å; A271-H276 PolarHBondContact O-N 3.25Å; A271-I279 HydrophobicContact CB-CB 4.27Å; A271-I279 HydrophobicContact CB-CG2 3.69Å; A271-V280 HydrophobicContact CB-CG2 3.76Å; A271-L283 HydrophobicContact CB-CD1 3.81Å
272A97Very high96.6Very high0 Ų042.1 Ų42.10%021%0.214CC..Hα-helixtrans-68.4-44177.600000112.8L268 H269 W270 Q274 C275 P300 V303 T304 L313L268-A272 WeakPolarHBondContact O-CB 3.34Å; L268-A272 PolarHBondContact O-N 3.02Å; H269-A272 PolarHBondContact O-N 3.17Å; W270-A272 VanDerWaalsContact C-N 3.3Å; W270-A272 PolarHBondContact O-N 3.37Å; A272-Q274 VanDerWaalsContact C-N 3.32Å; A272-Q274 PolarHBondContact O-N 2.99Å; A272-C275 PolarHBondContact O-N 3.2Å; A272-C275 VanDerWaalsContact O-N 3.13Å; A272-P300 HydrophobicContact CB-CB 4.48Å; A272-V303 HydrophobicContact CB-CG2 4.24Å; A272-T304 WeakPolarHBondContact O-CA 3.48Å; A272-T304 WeakPolarHBondContact O-CB 3.36Å; A272-T304 PolarHBondContact O-OG1 2.87Å; A272-L313 HydrophobicContact CB-CD1 3.69Å
273Q96.7Very high97Very high75 Ų7536.2 Ų36.235%0.3519%0.189SC..Hα-helixtrans-62.7-39.5177.6-176-178.246.200112W265 H269 W270 C275 V303W265-Q273 HydrophobicContact CH2-CB 4.24Å; W265-Q273 VanDerWaalsContact CH2-CD 3.47Å; W265-Q273 HydrophobicContact CH2-CG 4.28Å; W265-Q273 HydrophobicContact CZ3-CB 3.88Å; W265-Q273 HydrophobicContact CZ3-CG 4.25Å; H269-Q273 WeakPolarHBondContact O-CB 3.39Å; H269-Q273 PolarHBondContact O-N 3.02Å; W270-Q273 PolarHBondContact O-N 2.87Å; Q273-C275 PolarHBondContact O-N 3.33Å; Q273-V303 HydrophobicContact CB-CG2 4.33Å
274Q96.5Very high97.2Very high72 Ų7235.1 Ų35.134%0.33618%0.182SC..THydrogen-bonded Turntrans-84.23178-57.2-56.1-39.200113.1Y240 W270 A272 H276Y240-Q274 HydrophobicContact CD2-CG 3.85Å; Y240-Q274 HydrophobicContact CE2-CG 4.16Å; Y240-Q274 VanDerWaalsContact CE2-NE2 3.27Å; W270-Q274 WeakPolarHBondContact O-CG 3.48Å; W270-Q274 PolarHBondContact O-N 3.07Å; A272-Q274 VanDerWaalsContact C-N 3.32Å; A272-Q274 PolarHBondContact O-N 2.99Å; Q274-H276 VanDerWaalsContact C-N 3.25Å; Q274-H276 VanDerWaalsContact CB-CD2 3.43Å; Q274-H276 WeakPolarHBondContact CB-CD2 3.48Å; Q274-H276 WeakPolarHBondContact CB-NE2 3.43Å; Q274-H276 PolarHBondContact O-N 3.3Å
275C96.6Very high97.3Very high48 Ų4836.7 Ų36.732%0.32419%0.194SC..THydrogen-bonded Turntrans55.735.1178.9-60.30000113.9A271 A272 Q273 A277 D306A271-C275 PolarHBondContact O-N 3.01Å; A271-C275 VanDerWaalsContact O-N 3.12Å; A272-C275 PolarHBondContact O-N 3.2Å; A272-C275 VanDerWaalsContact O-N 3.13Å; Q273-C275 PolarHBondContact O-N 3.33Å; C275-A277 VanDerWaalsContact C-N 3.34Å; C275-A277 PolarHBondContact O-N 2.81Å; C275-A277 VanDerWaalsContact O-N 3.09Å; C275-D306 HydrophobicContact CB-CB 4.42Å
276H96.8Very high97.4Very high48 Ų4839.8 Ų39.822%0.22221%0.206CC..  trans-83.576.8174.2-63.6-46.3000110.5C239 G242 A271 Q274 D278 I279 V280C239-H276 PolarHBondContact O-CD2 2.94Å; C239-H276 VanDerWaalsContact O-CD2 3.28Å; G242-H276 VanDerWaalsContact CA-NE2 3.29Å; G242-H276 WeakPolarHBondContact CA-NE2 3.4Å; G242-H276 PolarHBondContact N-NE2 2.8Å; A271-H276 PolarHBondContact O-N 3.25Å; Q274-H276 VanDerWaalsContact C-N 3.25Å; Q274-H276 VanDerWaalsContact CB-CD2 3.43Å; Q274-H276 WeakPolarHBondContact CB-CD2 3.48Å; Q274-H276 WeakPolarHBondContact CB-NE2 3.43Å; Q274-H276 PolarHBondContact O-N 3.3Å; H276-D278 VanDerWaalsContact C-N 3.28Å; H276-D278 PolarHBondContact O-N 2.82Å; H276-I279 HydrophobicContact CB-CB 3.89Å; H276-I279 HydrophobicContact CB-CD1 3.91Å; H276-I279 HydrophobicContact CB-CG1 4.09Å; H276-I279 PolarHBondContact O-N 3.2Å; H276-I279 VanDerWaalsContact O-N 3.1Å; H276-V280 WeakPolarHBondContact O-CG2 3.43Å; H276-V280 PolarHBondContact O-N 3.11Å
277A97.2Very high97.3Very high58 Ų5841.8 Ų41.848%0.47923%0.23SC..Hα-helixtrans-57.7-37.4-174.600000113.5C275 V280 E281 L309C275-A277 VanDerWaalsContact C-N 3.34Å; C275-A277 PolarHBondContact O-N 2.81Å; C275-A277 VanDerWaalsContact O-N 3.09Å; A277-V280 PolarHBondContact O-N 3.17Å; A277-E281 PolarHBondContact O-N 3Å; A277-L309 HydrophobicContact CB-CD1 4.35Å
278D97.7Very high97.3Very high72 Ų7242.4 Ų42.439%0.38524%0.235SC..Hα-helixtrans-63.8-41175.154.8-9.6000112.8L244 H276 V282L244-D278 HydrophobicContact CD1-CB 4.05Å; L244-D278 HydrophobicContact CD2-CB 4.1Å; H276-D278 VanDerWaalsContact C-N 3.28Å; H276-D278 PolarHBondContact O-N 2.82Å; D278-V282 WeakPolarHBondContact O-CG2 3.36Å; D278-V282 PolarHBondContact O-N 2.92Å
279I98.5Very high97.2Very high0 Ų045.4 Ų45.40%026%0.256CS..Hα-helixtrans-69.6-38.2174.4-66.4179.1000110.7C239 L244 V247 A271 H276 V282 L283C239-I279 HydrophobicContact CB-CG2 4.27Å; L244-I279 HydrophobicContact CB-CG1 4.21Å; L244-I279 HydrophobicContact CD1-CG1 3.9Å; V247-I279 HydrophobicContact CG1-CG2 4.3Å; V247-I279 HydrophobicContact CG2-CD1 4.19Å; V247-I279 HydrophobicContact CG2-CG2 4.27Å; A271-I279 HydrophobicContact CB-CB 4.27Å; A271-I279 HydrophobicContact CB-CG2 3.69Å; H276-I279 HydrophobicContact CB-CB 3.89Å; H276-I279 HydrophobicContact CB-CD1 3.91Å; H276-I279 HydrophobicContact CB-CG1 4.09Å; H276-I279 PolarHBondContact O-N 3.2Å; H276-I279 VanDerWaalsContact O-N 3.1Å; I279-V282 PolarHBondContact O-N 2.84Å; I279-L283 HydrophobicContact CG2-CD1 3.83Å; I279-L283 HydrophobicContact CG2-CG 4.15Å; I279-L283 WeakPolarHBondContact O-CB 3.35Å; I279-L283 VanDerWaalsContact O-CG 3.25Å; I279-L283 WeakPolarHBondContact O-CG 3.37Å; I279-L283 PolarHBondContact O-N 3.05Å
280V97.9Very high97.1Very high4 Ų447.3 Ų47.32%0.02427%0.265CS..Hα-helixtrans-59.3-47.3175.4166.70000110.9L268 A271 H276 A277 V282 L283 L284 L309 L313L268-V280 HydrophobicContact CD1-CB 4.32Å; L268-V280 HydrophobicContact CD1-CG1 3.85Å; L268-V280 HydrophobicContact CD1-CG2 4.14Å; A271-V280 HydrophobicContact CB-CG2 3.76Å; H276-V280 WeakPolarHBondContact O-CG2 3.43Å; H276-V280 PolarHBondContact O-N 3.11Å; A277-V280 PolarHBondContact O-N 3.17Å; V280-V282 PolarHBondContact O-N 2.92Å; V280-L283 PolarHBondContact O-N 3.38Å; V280-L284 HydrophobicContact CG1-CD1 3.9Å; V280-L284 HydrophobicContact CG1-CG 4.37Å; V280-L284 VanDerWaalsContact O-CG 3.28Å; V280-L284 WeakPolarHBondContact O-CG 3.37Å; V280-L284 PolarHBondContact O-N 2.79Å; V280-L309 HydrophobicContact CB-CD1 4.01Å; V280-L309 HydrophobicContact CG1-CD1 3.79Å; V280-L309 HydrophobicContact CG2-CD1 4.08Å; V280-L309 HydrophobicContact CG2-CD2 4.16Å; V280-L313 HydrophobicContact CG1-CD1 4.39Å; V280-L313 HydrophobicContact CG1-CD2 3.85Å; V280-L313 HydrophobicContact CG1-CG 4.34Å
281E97.4Very high97Very high127 Ų12753.1 Ų53.159%0.59329%0.288SS*.Hα-helixtrans-56.1-51176.1-174.9177.5-171.800111.2A277 L283 L284 D285A277-E281 PolarHBondContact O-N 3Å; E281-L283 PolarHBondContact O-N 2.91Å; E281-L284 PolarHBondContact O-N 2.82Å; E281-L284 VanDerWaalsContact O-N 3.17Å; E281-D285 PolarHBondContact O-N 3.36Å
282V98.3Very high96.8Very high16 Ų1654.1 Ų54.110%0.09730%0.297CS..Hα-helixtrans-58.8-45176.91720000111.5L244 V247 K248 L251 D278 I279 V280 L284 D285 Y286L244-V282 HydrophobicContact CD1-CG2 3.83Å; V247-V282 HydrophobicContact CG1-CG1 4.3Å; K248-V282 HydrophobicContact CG-CG1 3.97Å; K248-V282 HydrophobicContact CG-CG2 4.16Å; L251-V282 HydrophobicContact CD1-CG1 3.73Å; D278-V282 WeakPolarHBondContact O-CG2 3.36Å; D278-V282 PolarHBondContact O-N 2.92Å; I279-V282 PolarHBondContact O-N 2.84Å; V280-V282 PolarHBondContact O-N 2.92Å; V282-L284 VanDerWaalsContact C-N 3.3Å; V282-L284 PolarHBondContact O-N 3.35Å; V282-D285 PolarHBondContact O-N 3.09Å; V282-Y286 HydrophobicContact CG1-CD2 4.11Å; V282-Y286 HydrophobicContact CG1-CE2 4.03Å; V282-Y286 WeakPolarHBondContact O-CD2 3.5Å; V282-Y286 PolarHBondContact O-N 3.47Å; V282-Y286 VanDerWaalsContact O-N 3.16Å
283L98.3Very high96.8Very high0 Ų060.4 Ų60.40%032%0.324CS..Hα-helixtrans-62.2-39.2179.4-72.7171.5000111.9V247 L251 V257 A267 L268 A271 I279 V280 E281 Y286 G287 A288V247-L283 HydrophobicContact CG1-CD2 4.49Å; L251-L283 HydrophobicContact CD1-CD2 4.27Å; V257-L283 HydrophobicContact CG2-CD2 3.96Å; A267-L283 HydrophobicContact CB-CD1 3.98Å; A267-L283 HydrophobicContact CB-CD2 3.84Å; L268-L283 HydrophobicContact CB-CD1 4.46Å; L268-L283 HydrophobicContact CD1-CB 4.27Å; L268-L283 HydrophobicContact CD1-CD1 4.37Å; A271-L283 HydrophobicContact CB-CD1 3.81Å; I279-L283 HydrophobicContact CG2-CD1 3.83Å; I279-L283 HydrophobicContact CG2-CG 4.15Å; I279-L283 WeakPolarHBondContact O-CB 3.35Å; I279-L283 VanDerWaalsContact O-CG 3.25Å; I279-L283 WeakPolarHBondContact O-CG 3.37Å; I279-L283 PolarHBondContact O-N 3.05Å; V280-L283 PolarHBondContact O-N 3.38Å; E281-L283 PolarHBondContact O-N 2.91Å; L283-Y286 PolarHBondContact O-N 2.95Å; L283-G287 PolarHBondContact O-N 2.8Å; L283-A288 HydrophobicContact CB-CB 3.91Å; L283-A288 WeakPolarHBondContact O-CB 3.29Å; L283-A288 PolarHBondContact O-N 3.24Å
284L96.9Very high96.6Very high60 Ų6057.4 Ų57.431%0.31431%0.31SS..Hα-helixtrans-66.3-40.9176.7-67.8172.2000111.9L268 V280 E281 V282 Y286 G287 I290 L313L268-L284 HydrophobicContact CD1-CD2 4.4Å; L268-L284 HydrophobicContact CD1-CG 4.46Å; L268-L284 HydrophobicContact CD2-CD2 4.02Å; V280-L284 HydrophobicContact CG1-CD1 3.9Å; V280-L284 HydrophobicContact CG1-CG 4.37Å; V280-L284 VanDerWaalsContact O-CG 3.28Å; V280-L284 WeakPolarHBondContact O-CG 3.37Å; V280-L284 PolarHBondContact O-N 2.79Å; E281-L284 PolarHBondContact O-N 2.82Å; E281-L284 VanDerWaalsContact O-N 3.17Å; V282-L284 VanDerWaalsContact C-N 3.3Å; V282-L284 PolarHBondContact O-N 3.35Å; L284-Y286 PolarHBondContact O-N 3.09Å; L284-G287 WeakPolarHBondContact O-CA 3.42Å; L284-G287 PolarHBondContact O-N 3.33Å; L284-I290 HydrophobicContact CD2-CG2 3.48Å; L284-I290 VanDerWaalsContact CD2-CG2 3.48Å; L284-L313 HydrophobicContact CD1-CD2 4.25Å; L284-L313 HydrophobicContact CD2-CD2 4.45Å
285D97.4Very high96.5Very high127 Ų12761 Ų6168%0.67933%0.325SS*.Hα-helixtrans-60.2-33.7175.6-75.6-17.4000112.4E281 V282 G287E281-D285 PolarHBondContact O-N 3.36Å; V282-D285 PolarHBondContact O-N 3.09Å; D285-G287 VanDerWaalsContact C-N 3.26Å; D285-G287 PolarHBondContact O-N 2.9Å
286Y97.1Very high96.3Very high94 Ų9465.6 Ų65.637%0.36934%0.342SS..THydrogen-bonded Turntrans-86.28.4174.3-74.8-106.6000113.3L251 D252 V282 L283 L284L251-Y286 HydrophobicContact CB-CD1 3.65Å; L251-Y286 HydrophobicContact CB-CD2 4.49Å; L251-Y286 HydrophobicContact CB-CE1 3.52Å; L251-Y286 HydrophobicContact CB-CE2 4.38Å; L251-Y286 HydrophobicContact CB-CG 4.13Å; L251-Y286 HydrophobicContact CD1-CD1 4.32Å; L251-Y286 HydrophobicContact CD1-CD2 3.91Å; L251-Y286 HydrophobicContact CD1-CE2 4.22Å; L251-Y286 HydrophobicContact CD1-CG 3.92Å; L251-Y286 HydrophobicContact CD2-CD1 4.42Å; L251-Y286 HydrophobicContact CD2-CG 4.47Å; L251-Y286 HydrophobicContact CG-CD1 4.35Å; L251-Y286 HydrophobicContact CG-CG 4.41Å; D252-Y286 PolarHBondContact OD1-OH 3.15Å; V282-Y286 HydrophobicContact CG1-CD2 4.11Å; V282-Y286 HydrophobicContact CG1-CE2 4.03Å; V282-Y286 WeakPolarHBondContact O-CD2 3.5Å; V282-Y286 PolarHBondContact O-N 3.47Å; V282-Y286 VanDerWaalsContact O-N 3.16Å; L283-Y286 PolarHBondContact O-N 2.95Å; L284-Y286 PolarHBondContact O-N 3.09Å
287G95.5Very high96.2Very high55 Ų5565.4 Ų65.457%0.56735%0.352SS*.THydrogen-bonded Turntrans85.925.5172.300000115.2L283 L284 D285 S289L283-G287 PolarHBondContact O-N 2.8Å; L284-G287 WeakPolarHBondContact O-CA 3.42Å; L284-G287 PolarHBondContact O-N 3.33Å; D285-G287 VanDerWaalsContact C-N 3.26Å; D285-G287 PolarHBondContact O-N 2.9Å; G287-S289 PolarHBondContact O-N 3.46Å
288A96.9Very high96.1Very high12 Ų1264.9 Ų64.910%0.09935%0.345CS..  trans-58.4130.4170.600000111.1V257 L268 L283 I290V257-A288 HydrophobicContact CG2-CB 3.72Å; L268-A288 HydrophobicContact CB-CB 4.22Å; L268-A288 HydrophobicContact CD2-CB 4.04Å; L283-A288 HydrophobicContact CB-CB 3.91Å; L283-A288 WeakPolarHBondContact O-CB 3.29Å; L283-A288 PolarHBondContact O-N 3.24Å; A288-I290 PolarHBondContact O-N 3.26Å
289S96Very high96Very high64 Ų6463.1 Ų63.145%0.44834%0.335SS..  trans-77.7118.8-179179.90000111.8G287 Y291 A292G287-S289 PolarHBondContact O-N 3.46Å; S289-Y291 PolarHBondContact O-N 2.83Å; S289-Y291 PolarHBondContact OG-N 3.25Å; S289-A292 WeakPolarHBondContact O-CB 3.41Å; S289-A292 PolarHBondContact O-N 3.38Å; S289-A292 PolarHBondContact OG-N 3.39Å
290I95.2Very high95.8Very high40 Ų4063.1 Ų63.121%0.20534%0.335CS..THydrogen-bonded Turntrans-65.8-16.3168.264.3172.2000113L268 L284 A288 P300 L313L268-I290 HydrophobicContact CD2-CG2 4.22Å; L284-I290 HydrophobicContact CD2-CG2 3.48Å; L284-I290 VanDerWaalsContact CD2-CG2 3.48Å; A288-I290 PolarHBondContact O-N 3.26Å; I290-P300 WeakPolarHBondContact O-CD 3.37Å; I290-L313 HydrophobicContact CG2-CD2 4.13Å
291Y95.1Very high95.6Very high143 Ų14366.5 Ų66.556%0.56135%0.348SS*.THydrogen-bonded Turntrans-94.81.5179.7-58-80000113.2S289 K293 P315S289-Y291 PolarHBondContact O-N 2.83Å; S289-Y291 PolarHBondContact OG-N 3.25Å; Y291-K293 PolarHBondContact O-N 3.02Å; Y291-P315 HydrophobicContact CD1-CB 4.42Å; Y291-P315 HydrophobicContact CD1-CG 4.36Å; Y291-P315 HydrophobicContact CE1-CB 3.7Å; Y291-P315 HydrophobicContact CE1-CG 4.11Å
292A95Very high95.5Very high21 Ų2163 Ų6317%0.17434%0.34CS..  trans-60.1132176.300000109.4T266 H269 S289 M299 P300T266-A292 HydrophobicContact CG2-CB 3.62Å; H269-A292 PolarHBondContact CE1-O 3.38Å; H269-A292 VanDerWaalsContact CE1-O 3.26Å; H269-A292 PolarHBondContact NE2-O 3.29Å; S289-A292 WeakPolarHBondContact O-CB 3.41Å; S289-A292 PolarHBondContact O-N 3.38Å; S289-A292 PolarHBondContact OG-N 3.39Å; A292-M299 WeakPolarHBondContact O-CA 2.96Å; A292-P300 WeakPolarHBondContact O-CD 3.36Å
293K95.3Very high95.3Very high132 Ų13263.6 Ų63.657%0.57434%0.343SS*.  trans-112.7133.8179.2-70-179.4-176.3-178.10109.9Y291 C298 M299Y291-K293 PolarHBondContact O-N 3.02Å; K293-C298 VanDerWaalsContact CA-O 3.32Å; K293-C298 WeakPolarHBondContact CA-O 3.31Å; K293-M299 HydrophobicContact CG-CG 3.76Å
294D94Very high95.1Very high12 Ų1264.1 Ų64.16%0.06435%0.347CS..  trans-71.5-178.3169.780.3-7.9000111.8W265 H296 G297 C298W265-D294 PolarHBondContact NE1-OD2 2.97Å; D294-H296 PolarHBondContact O-N 3.15Å; D294-H296 VanDerWaalsContact O-N 3.17Å; D294-H296 VanDerWaalsContact OD1-C 3.31Å; D294-H296 VanDerWaalsContact OD1-CA 3.29Å; D294-H296 WeakPolarHBondContact OD1-CA 3.18Å; D294-H296 WeakPolarHBondContact OD1-CB 3.19Å; D294-H296 PolarHBondContact OD1-N 3.19Å; D294-H296 IonicContact OD2-CD2 3.16Å; D294-G297 PolarHBondContact O-N 2.89Å; D294-G297 PolarHBondContact OD1-N 3.44Å; D294-C298 PolarHBondContact N-O 3.15Å; D294-C298 WeakPolarHBondContact OD1-CB 3.2Å; D294-C298 PolarHBondContact OD1-N 3.15Å
295F93Very high94.9Very high148 Ų14866.3 Ų66.365%0.64937%0.367SS*.THydrogen-bonded Turntrans-60.9-22.4178.1-168.9-98.6000113.8N263N263-F295 WeakPolarHBondContact O-CB 3.46Å; N263-F295 PolarHBondContact O-N 3.44Å
296H93.3Very high94.7Very high145 Ų14563.9 Ų63.967%0.67135%0.354SS*.THydrogen-bonded Turntrans-92.6-2.5177.2-57.5-59.5000113.1D294 C298D294-H296 PolarHBondContact O-N 3.15Å; D294-H296 VanDerWaalsContact O-N 3.17Å; D294-H296 VanDerWaalsContact OD1-C 3.31Å; D294-H296 VanDerWaalsContact OD1-CA 3.29Å; D294-H296 WeakPolarHBondContact OD1-CA 3.18Å; D294-H296 WeakPolarHBondContact OD1-CB 3.19Å; D294-H296 PolarHBondContact OD1-N 3.19Å; D294-H296 IonicContact OD2-CD2 3.16Å; H296-C298 VanDerWaalsContact C-N 3.32Å
297G93.7Very high94.3Very high43 Ų4365 Ų6544%0.44337%0.365SS..SBendtrans82.28.2-176.500000114D294D294-G297 PolarHBondContact O-N 2.89Å; D294-G297 PolarHBondContact OD1-N 3.44Å
298C94.9Very high94.1Very high48 Ų4864 Ų6432%0.32436%0.355SS..  trans-75139176.3-66.20000110.2H269 K293 D294 H296 V303H269-C298 PolarHBondContact NE2-O 2.95Å; K293-C298 VanDerWaalsContact CA-O 3.32Å; K293-C298 WeakPolarHBondContact CA-O 3.31Å; D294-C298 PolarHBondContact N-O 3.15Å; D294-C298 WeakPolarHBondContact OD1-CB 3.2Å; D294-C298 PolarHBondContact OD1-N 3.15Å; H296-C298 VanDerWaalsContact C-N 3.32Å; C298-V303 HydrophobicContact CB-CG1 4.47Å
299M95.5Very high93.9Very high35 Ų3564 Ų6417%0.17235%0.353CS..  trans-101.2164.8174.6-65.3-177.4-6100109.8A292 K293 Y301 A302 P315A292-M299 WeakPolarHBondContact O-CA 2.96Å; K293-M299 HydrophobicContact CG-CG 3.76Å; M299-Y301 VanDerWaalsContact C-N 3.29Å; M299-Y301 HydrophobicContact CB-CD1 3.8Å; M299-Y301 HydrophobicContact CB-CE1 3.97Å; M299-Y301 HydrophobicContact CE-CD1 4.15Å; M299-Y301 HydrophobicContact CE-CE1 3.53Å; M299-Y301 PolarHBondContact O-N 3.36Å; M299-Y301 VanDerWaalsContact O-N 3.15Å; M299-A302 WeakPolarHBondContact O-CB 3.32Å; M299-A302 PolarHBondContact O-N 3.47Å; M299-P315 HydrophobicContact CE-CG 3.95Å; M299-P315 HydrophobicContact SD-CG 4.4Å
300P94.7Very high93.7Very high0 Ų064.6 Ų64.60%035%0.349CS..Hα-helixtrans-54.6-37.3-175-28.935.7000115.1L268 H269 A272 I290 A292 A302 V303 L313L268-P300 HydrophobicContact CB-CG 4.32Å; L268-P300 HydrophobicContact CD2-CB 4.14Å; L268-P300 HydrophobicContact CD2-CG 3.83Å; L268-P300 HydrophobicContact CG-CB 3.89Å; L268-P300 HydrophobicContact CG-CG 3.91Å; H269-P300 WeakPolarHBondContact NE2-CD 3.32Å; A272-P300 HydrophobicContact CB-CB 4.48Å; I290-P300 WeakPolarHBondContact O-CD 3.37Å; A292-P300 WeakPolarHBondContact O-CD 3.36Å; P300-A302 PolarHBondContact O-N 3.13Å; P300-V303 WeakPolarHBondContact O-CG2 3.48Å; P300-V303 PolarHBondContact O-N 3.21Å; P300-L313 HydrophobicContact CB-CD1 4.19Å
301Y94.3Very high93.5Very high75 Ų7568.1 Ų68.129%0.29437%0.365SS..Hα-helixtrans-62.3-25.4177.290.5-74.9000113.3M299 Q310M299-Y301 VanDerWaalsContact C-N 3.29Å; M299-Y301 HydrophobicContact CB-CD1 3.8Å; M299-Y301 HydrophobicContact CB-CE1 3.97Å; M299-Y301 HydrophobicContact CE-CD1 4.15Å; M299-Y301 HydrophobicContact CE-CE1 3.53Å; M299-Y301 PolarHBondContact O-N 3.36Å; M299-Y301 VanDerWaalsContact O-N 3.15Å; Y301-Q310 HydrophobicContact CD2-CG 3.98Å; Y301-Q310 WeakPolarHBondContact O-CG 3.48Å
302A94.7Very high93.2Very high52 Ų5266 Ų6643%0.4337%0.37SS..Hα-helixtrans-83.5-15.1-175.900000113.2M299 P300M299-A302 WeakPolarHBondContact O-CB 3.32Å; M299-A302 PolarHBondContact O-N 3.47Å; P300-A302 PolarHBondContact O-N 3.13Å
303V93.7Very high93.1Very high29 Ų2965 Ų6518%0.17636%0.362CS..Hα-helixtrans-99.7-11.3-177.5-58.80000113.5W265 H269 A272 Q273 C298 P300W265-V303 HydrophobicContact CH2-CB 3.96Å; W265-V303 HydrophobicContact CH2-CG1 3.88Å; W265-V303 HydrophobicContact CH2-CG2 4.35Å; W265-V303 HydrophobicContact CZ2-CB 4.4Å; W265-V303 HydrophobicContact CZ2-CG1 3.8Å; H269-V303 HydrophobicContact CB-CG2 4.37Å; A272-V303 HydrophobicContact CB-CG2 4.24Å; Q273-V303 HydrophobicContact CB-CG2 4.33Å; C298-V303 HydrophobicContact CB-CG1 4.47Å; P300-V303 WeakPolarHBondContact O-CG2 3.48Å; P300-V303 PolarHBondContact O-N 3.21Å
304T94.2Very high92.8Very high12 Ų1260.2 Ų60.27%0.07435%0.345CS..  trans-82.9143.4177.6-167.50000111.7A272 D306 L309 Q310A272-T304 WeakPolarHBondContact O-CA 3.48Å; A272-T304 WeakPolarHBondContact O-CB 3.36Å; A272-T304 PolarHBondContact O-OG1 2.87Å; T304-D306 PolarHBondContact OG1-N 3.45Å; T304-L309 HydrophobicContact CG2-CB 4.36Å; T304-Q310 HydrophobicContact CG2-CB 3.68Å; T304-Q310 HydrophobicContact CG2-CG 4.44Å
305S93.1Very high92.2Very high106 Ų10661.1 Ų61.174%0.74135%0.351SS*.  trans-92.3-7.9170.354.30000113.4
306D93.1Very high91.3Very high75 Ų7561 Ų6140%0.40136%0.357SS..  trans-89122.9179.4-174.8-89000110.6C275 T304 G308 L309 Q310C275-D306 HydrophobicContact CB-CB 4.42Å; T304-D306 PolarHBondContact OG1-N 3.45Å; D306-G308 PolarHBondContact O-N 3.01Å; D306-G308 WeakPolarHBondContact OD1-CA 3.25Å; D306-G308 PolarHBondContact OD1-N 3.46Å; D306-L309 HydrophobicContact CB-CB 3.94Å; D306-L309 PolarHBondContact O-N 3.3Å; D306-L309 PolarHBondContact OD1-N 3.36Å; D306-Q310 VanDerWaalsContact O-CB 3.28Å; D306-Q310 WeakPolarHBondContact O-CB 3.37Å; D306-Q310 PolarHBondContact O-N 3.37Å
307I90.2Very high89.7Confident117 Ų11757.9 Ų57.960%0.635%0.345SS*.Hα-helixtrans-65.8-39.4-175.7-61.9170.9000110.9Q310 E311I307-Q310 WeakPolarHBondContact O-CB 3.38Å; I307-Q310 PolarHBondContact O-N 3.36Å; I307-E311 WeakPolarHBondContact O-CG 3.22Å; I307-E311 PolarHBondContact O-N 3.45Å
308G90.7Very high87.7Confident35 Ų3563.5 Ų63.536%0.36137%0.365SS..Hα-helixtrans-66.4-44.5179.800000111.4D306 Q310 E311 C312D306-G308 PolarHBondContact O-N 3.01Å; D306-G308 WeakPolarHBondContact OD1-CA 3.25Å; D306-G308 PolarHBondContact OD1-N 3.46Å; G308-Q310 VanDerWaalsContact C-N 3.32Å; G308-Q310 PolarHBondContact O-N 2.98Å; G308-E311 PolarHBondContact O-N 3.18Å; G308-C312 PolarHBondContact O-N 2.97Å; G308-C312 PolarHBondContact O-SG 3.48Å
309L92.3Very high85.4Confident11 Ų1170.2 Ų70.26%0.05839%0.385CS..Hα-helixtrans-65.7-36.6176-163.657.4000111.9A277 V280 T304 D306 E311 C312 L313A277-L309 HydrophobicContact CB-CD1 4.35Å; V280-L309 HydrophobicContact CB-CD1 4.01Å; V280-L309 HydrophobicContact CG1-CD1 3.79Å; V280-L309 HydrophobicContact CG2-CD1 4.08Å; V280-L309 HydrophobicContact CG2-CD2 4.16Å; T304-L309 HydrophobicContact CG2-CB 4.36Å; D306-L309 HydrophobicContact CB-CB 3.94Å; D306-L309 PolarHBondContact O-N 3.3Å; D306-L309 PolarHBondContact OD1-N 3.36Å; L309-E311 VanDerWaalsContact C-N 3.35Å; L309-C312 PolarHBondContact O-N 3.23Å; L309-L313 HydrophobicContact CD1-CD1 4.34Å; L309-L313 HydrophobicContact CG-CD1 4Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.43Å; L309-L313 PolarHBondContact O-N 2.86Å
310Q92.3Very high82.9Confident77 Ų7773.3 Ų73.336%0.3641%0.407SS..Hα-helixtrans-60.9-43.9173.8-176.6172.10.700111.4Y301 T304 D306 I307 G308 L313 S314Y301-Q310 HydrophobicContact CD2-CG 3.98Å; Y301-Q310 WeakPolarHBondContact O-CG 3.48Å; T304-Q310 HydrophobicContact CG2-CB 3.68Å; T304-Q310 HydrophobicContact CG2-CG 4.44Å; D306-Q310 VanDerWaalsContact O-CB 3.28Å; D306-Q310 WeakPolarHBondContact O-CB 3.37Å; D306-Q310 PolarHBondContact O-N 3.37Å; I307-Q310 WeakPolarHBondContact O-CB 3.38Å; I307-Q310 PolarHBondContact O-N 3.36Å; G308-Q310 VanDerWaalsContact C-N 3.32Å; G308-Q310 PolarHBondContact O-N 2.98Å; Q310-L313 PolarHBondContact O-N 3.25Å; Q310-S314 WeakPolarHBondContact O-CB 3.4Å; Q310-S314 PolarHBondContact O-N 3.46Å
311E89.9Confident80Confident115 Ų11580.2 Ų80.254%0.53744%0.444SS..Hα-helixtrans-64.5-44.3176.1-72.7174.8-174.300111.6I307 G308 L309 L313 S314 I317I307-E311 WeakPolarHBondContact O-CG 3.22Å; I307-E311 PolarHBondContact O-N 3.45Å; G308-E311 PolarHBondContact O-N 3.18Å; L309-E311 VanDerWaalsContact C-N 3.35Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.31Å; E311-S314 PolarHBondContact O-N 2.84Å; E311-I317 HydrophobicContact CB-CD1 3.9Å; E311-I317 HydrophobicContact CG-CD1 3.91Å
312C88.7Confident77.4Confident99 Ų9983.6 Ų83.667%0.66947%0.466SS*.Hα-helixtrans-63.6-31.3177.7-68.70000113.9G308 L309G308-C312 PolarHBondContact O-N 2.97Å; G308-C312 PolarHBondContact O-SG 3.48Å; L309-C312 PolarHBondContact O-N 3.23Å
313L92.9Very high74.6Confident0 Ų087.8 Ų87.80%048%0.479CS..Hα-helixtrans-94.2-8.2-179.7-68.1173.1000113.4L268 A272 V280 L284 I290 P300 L309 Q310 E311 P315L268-L313 HydrophobicContact CD1-CD2 4.1Å; L268-L313 HydrophobicContact CD2-CD2 4.25Å; L268-L313 HydrophobicContact CG-CD2 4.4Å; A272-L313 HydrophobicContact CB-CD1 3.69Å; V280-L313 HydrophobicContact CG1-CD1 4.39Å; V280-L313 HydrophobicContact CG1-CD2 3.85Å; V280-L313 HydrophobicContact CG1-CG 4.34Å; L284-L313 HydrophobicContact CD1-CD2 4.25Å; L284-L313 HydrophobicContact CD2-CD2 4.45Å; I290-L313 HydrophobicContact CG2-CD2 4.13Å; P300-L313 HydrophobicContact CB-CD1 4.19Å; L309-L313 HydrophobicContact CD1-CD1 4.34Å; L309-L313 HydrophobicContact CG-CD1 4Å; L309-L313 WeakPolarHBondContact O-CB 3.24Å; L309-L313 WeakPolarHBondContact O-CG 3.43Å; L309-L313 PolarHBondContact O-N 2.86Å; Q310-L313 PolarHBondContact O-N 3.25Å; E311-L313 VanDerWaalsContact C-N 3.29Å; E311-L313 PolarHBondContact O-N 3.31Å; L313-P315 WeakPolarHBondContact O-CD 3.49Å
314S89.5Confident71.9Confident30 Ų3091 Ų9121%0.2150%0.503CS..  trans-65.9128.4179.2-175.70000110Q310 E311 D316Q310-S314 WeakPolarHBondContact O-CB 3.4Å; Q310-S314 PolarHBondContact O-N 3.46Å; E311-S314 PolarHBondContact O-N 2.84Å; S314-D316 PolarHBondContact O-N 2.72Å; S314-D316 PolarHBondContact OG-N 2.96Å
315P82.3Confident69.1Low32 Ų3297.7 Ų97.721%0.20854%0.538CS..SBendtrans-62.4-28.8174.1-23.433.9000113.9Y291 M299 L313Y291-P315 HydrophobicContact CD1-CB 4.42Å; Y291-P315 HydrophobicContact CD1-CG 4.36Å; Y291-P315 HydrophobicContact CE1-CB 3.7Å; Y291-P315 HydrophobicContact CE1-CG 4.11Å; M299-P315 HydrophobicContact CE-CG 3.95Å; M299-P315 HydrophobicContact SD-CG 4.4Å; L313-P315 WeakPolarHBondContact O-CD 3.49Å
316D73.8Confident66.3Low145 Ų14595.4 Ų95.478%0.77553%0.532SS*.  trans-125.877.6-168.2-64.9-42.4000110.6S314S314-D316 PolarHBondContact O-N 2.72Å; S314-D316 PolarHBondContact OG-N 2.96Å
317I59.2Low63.4Low80 Ų8099.7 Ų99.741%0.4155%0.549SS..  trans-130.491.7154.2-55.9177.4000106.2E311 Y319E311-I317 HydrophobicContact CB-CD1 3.9Å; E311-I317 HydrophobicContact CG-CD1 3.91Å; I317-Y319 VanDerWaalsContact C-N 3.26Å; I317-Y319 PolarHBondContact O-N 2.68Å
318D51Low60.8Low160 Ų16099.2 Ų99.286%0.85655%0.551SS**  trans-48.2107145.5-83.8-35000104.6P320D318-P320 WeakPolarHBondContact O-CD 3.28Å
319Y48.3Very low58Low190 Ų190102.8 Ų102.875%0.74557%0.566SS**  trans-50.6112.2163.4-101.4-96.4000103.9I317 N321I317-Y319 VanDerWaalsContact C-N 3.26Å; I317-Y319 PolarHBondContact O-N 2.68Å; Y319-N321 PolarHBondContact O-N 2.71Å
320P42Very low55.3Low100 Ų100107.9 Ų107.965%0.64960%0.598SS**  trans-58.7111.6165.224.4-27.2000101.5D318 I322D318-P320 WeakPolarHBondContact O-CD 3.28Å; P320-I322 VanDerWaalsContact C-N 3.3Å; P320-I322 PolarHBondContact O-N 2.92Å
321N34.1Very low52.5Low145 Ų145111.4 Ų111.478%0.77562%0.619SS**  trans-36.7109.8174.1-87-40.6000104.1Y319 I323Y319-N321 PolarHBondContact O-N 2.71Å; N321-I323 WeakPolarHBondContact O-CG1 3.25Å; N321-I323 PolarHBondContact O-N 2.84Å
322I39.4Very low49.7Very low146 Ų146113.6 Ų113.675%0.74964%0.635SS**  trans-65.989.3162.1-59.5175.300099P320 S324P320-I322 VanDerWaalsContact C-N 3.3Å; P320-I322 PolarHBondContact O-N 2.92Å; I322-S324 PolarHBondContact O-N 3.08Å
323I37.3Very low47.3Very low139 Ų139117 Ų11771%0.71364%0.641SS**  trans-5099.9159.1-6.6175.900099.1N321 N325N321-I323 WeakPolarHBondContact O-CG1 3.25Å; N321-I323 PolarHBondContact O-N 2.84Å; I323-N325 PolarHBondContact O-N 3.43Å
324S36.5Very low44.5Very low96 Ų96124.7 Ų124.767%0.67168%0.677SS**  trans-44.3106.5166.41730000101.9I322 G326I322-S324 PolarHBondContact O-N 3.08Å; S324-G326 WeakPolarHBondContact O-CA 3.44Å; S324-G326 PolarHBondContact O-N 2.85Å
325N35.7Very low42Very low153 Ų153129.9 Ų129.982%0.81870%0.702SS**  trans-54.5105179.5-103.1-14.9000102.2I323 H327I323-N325 PolarHBondContact O-N 3.43Å; N325-H327 VanDerWaalsContact C-N 3.3Å; N325-H327 PolarHBondContact O-N 3.27Å
326G33.4Very low39.6Very low58 Ų58135.1 Ų135.160%0.59873%0.728SS**  trans-51.9104.8-162.200000106.5S324 V328S324-G326 WeakPolarHBondContact O-CA 3.44Å; S324-G326 PolarHBondContact O-N 2.85Å; G326-V328 PolarHBondContact O-N 3.05Å
327H32.2Very low37.7Very low165 Ų165134.6 Ų134.676%0.76473%0.726SS**  trans-68.687.1148.2-167.160.3000102.3N325 T329N325-H327 VanDerWaalsContact C-N 3.3Å; N325-H327 PolarHBondContact O-N 3.27Å; H327-T329 PolarHBondContact O-N 2.77Å
328V35.5Very low36.3Very low108 Ų108137.6 Ų137.666%0.65574%0.742SS**  trans-51.1100.1163169.80000103.4G326 T330G326-V328 PolarHBondContact O-N 3.05Å; V328-T330 HydrophobicContact CG1-CG2 4.12Å; V328-T330 PolarHBondContact O-N 2.95Å
329T32.6Very low35.6Very low109 Ų109139.6 Ų139.667%0.66974%0.744SS**  trans-6098.1159.249.60000103.7H327 D331H327-T329 PolarHBondContact O-N 2.77Å; T329-D331 VanDerWaalsContact C-N 3.31Å; T329-D331 PolarHBondContact O-N 3.11Å
330T34.6Very low34.8Very low118 Ų118137.9 Ų137.972%0.72475%0.747SS**  trans-64.5104.516746.20000105.8V328 D332V328-T330 HydrophobicContact CG1-CG2 4.12Å; V328-T330 PolarHBondContact O-N 2.95Å; T330-D332 PolarHBondContact O-N 3.5Å
331D33.9Very low34.3Very low151 Ų151139.7 Ų139.781%0.80775%0.752SS**  trans10.8103.5158-55.8-34.8000114.8T329 E333T329-D331 VanDerWaalsContact C-N 3.31Å; T329-D331 PolarHBondContact O-N 3.11Å; D331-E333 PolarHBondContact O-N 2.95Å; D331-E333 VanDerWaalsContact O-N 3.08Å
332D31.6Very low34.2Very low161 Ų161139.9 Ų139.986%0.86175%0.747SS**  trans-55.599.2152.8-63.5-55.4000108.4T330T330-D332 PolarHBondContact O-N 3.5Å
333E38.7Very low33.6Very low170 Ų170138.6 Ų138.679%0.79474%0.742SS**  trans-131.4105.3146.7-74.3-148.6-171.100108.9D331D331-E333 PolarHBondContact O-N 2.95Å; D331-E333 VanDerWaalsContact O-N 3.08Å
334E34Very low33.3Very low163 Ų163138.1 Ų138.176%0.76274%0.741SS**  39.5112.6123.7-57.8-172.6173.100116.4
335D36.3Very low33Very low138 Ų138140.4 Ų140.474%0.73875%0.745SS**  172.4116.5109.2-84.8-23.3000110.8
336D31.8Very low32.8Very low142 Ų142138.6 Ų138.676%0.75974%0.74SS**  52.2148.2128.1-69.6-20.3000123.5
337D34.3Very low32.8Very low135 Ų135143.4 Ų143.472%0.72275%0.752SS**  trans90.297.5156.7-60.7-22.8000119.3
338D30.3Very low32.6Very low142 Ų142142.9 Ų142.976%0.75976%0.755SS**  51.2109.7120.6-70.2-19.1000118.3
339K36.2Very low32.6Very low203 Ų203143.5 Ų143.588%0.88376%0.758SS**  -180132.2107.6-95.3158.6-166.81710113.4
340D30.7Very low32.6Very low153 Ų153144.6 Ų144.682%0.81876%0.76SS**  trans-32.9136.5150.2-61.4-52.8000113.4
341N30.8Very low32.3Very low139 Ų139150.7 Ų150.774%0.74377%0.77SS**  177.6128.2100.3-126.6-11.4000112.6
342H31.5Very low32.3Very low149 Ų149153 Ų15369%0.6977%0.773SS**  trans46.1115131.9-85.7-43.2000122.2
343N28.1Very low32.2Very low119 Ų119154.6 Ų154.664%0.63678%0.775SS**  75.7126.3115.5-84.838000122
344D29.9Very low31.9Very low129 Ų129150.1 Ų150.169%0.6977%0.774SS**  trans94.3134.9131.2-60.5-24.1000120.4
345D32Very low31.8Very low143 Ų143146.7 Ų146.777%0.76577%0.774SS**  trans88.592.8153.4-64.8-21.2000121.4
346V29.8Very low31.7Very low115 Ų115144.9 Ų144.970%0.69777%0.772SS**  33.3115.7112-1670000116
347N34.4Very low31.7Very low160 Ų160147.9 Ų147.986%0.85678%0.778SS**  trans-156.4115.2132.6-93.6-43.9000112.5
348D27.3Very low31.8Very low153 Ų153148.5 Ų148.582%0.81878%0.78SS**  trans-64.4124.2161.8-149.3-1.4000109.7
349V36Very low32Very low121 Ų121151 Ų15173%0.73378%0.784SS**  trans-153.9113.3156-166.30000112.2
350D33.2Very low32Very low133 Ų133144.3 Ų144.371%0.71176%0.762SS**  trans62.2100145.6-58.7-27.2000123.1K352D350-K352 PolarHBondContact O-N 2.7Å
351R26.6Very low32.2Very low246 Ų246139.5 Ų139.593%0.92874%0.74SS**  trans-36.8120.9134.4-68.4172.7173.8149.9-0.8112.5
352K34.3Very low32.7Very low198 Ų198138 Ų13886%0.86174%0.738SS**  trans-128.6114.4148.8-80.8-169.8178.7174.90110.2D350 G354D350-K352 PolarHBondContact O-N 2.7Å; K352-G354 PolarHBondContact O-N 3.01Å
353E30.7Very low33.1Very low196 Ų196136.9 Ų136.992%0.91674%0.736SS**  trans-56.1109.3171.8-67.5169.8150.200110.7A355E353-A355 PolarHBondContact O-N 3.06Å
354G30.8Very low33.8Very low75 Ų75135.8 Ų135.877%0.77373%0.728SS**  trans-8684.6162.500000109.2K352 S356K352-G354 PolarHBondContact O-N 3.01Å; G354-S356 PolarHBondContact O-N 3.14Å
355A33.5Very low34.6Very low92 Ų92134 Ų13476%0.7672%0.717SS**  trans-61.5100.7168.100000109E353 K357E353-A355 PolarHBondContact O-N 3.06Å; A355-K357 PolarHBondContact O-N 2.64Å
356S33.1Very low35.2Very low100 Ų100133.3 Ų133.370%0.69971%0.71SS**  trans-66.1115.9173650000108.2G354 I358G354-S356 PolarHBondContact O-N 3.14Å; S356-I358 PolarHBondContact O-N 2.64Å
357K33Very low35.9Very low204 Ų204132.8 Ų132.889%0.88770%0.702SS**  trans-68.693175.9-71.2177.4177.7177.10108.6A355 K359A355-K357 PolarHBondContact O-N 2.64Å; K357-K359 PolarHBondContact O-N 3.35Å
358I34.8Very low36.5Very low149 Ų149130.1 Ų130.176%0.76468%0.683SS**PPolyproline II helixtrans-63.9118.2170.4-61172.8000107.4S356S356-I358 PolarHBondContact O-N 2.64Å
359K35.3Very low37.5Very low193 Ų193130.4 Ų130.484%0.83968%0.68SS**PPolyproline II helixtrans-69.5126.5172.3-90.7-179.5175.1176.80108.6K357K357-K359 PolarHBondContact O-N 3.35Å
360P36Very low38.4Very low64 Ų64127.9 Ų127.942%0.41667%0.667SS.*PPolyproline II helixtrans-66.2147.9178.124.4-31.2000111.7Q364P360-Q364 HydrophobicContact CB-CB 3.95Å
361S36.1Very low39Very low52 Ų52126.6 Ų126.636%0.36465%0.653SS.*PPolyproline II helixtrans-69.8161.4-176.171.10000112.4L363 Q364 L365S361-L363 PolarHBondContact O-N 3.13Å; S361-Q364 VanDerWaalsContact N-OE1 3.09Å; S361-Q364 WeakPolarHBondContact O-CB 3.32Å; S361-Q364 PolarHBondContact O-N 3.15Å; S361-Q364 PolarHBondContact OG-N 3.17Å; S361-L365 PolarHBondContact O-N 3.37Å
362P40.2Very low39.9Very low106 Ų106119.8 Ų119.869%0.68864%0.641SS**Hα-helixtrans-54.9-36175.7-2635000113.3L365 Q366P362-L365 PolarHBondContact O-N 3.29Å; P362-Q366 WeakPolarHBondContact O-CB 3.4Å; P362-Q366 PolarHBondContact O-N 3.49Å
363L40.9Very low40.3Very low126 Ų126118.6 Ų118.666%0.6664%0.638SS**Hα-helixtrans-67.4-40.4175.2-88.7155.8000112.5S361 Q366 L367S361-L363 PolarHBondContact O-N 3.13Å; L363-Q366 PolarHBondContact O-N 3.03Å; L363-L367 PolarHBondContact O-N 3.43Å
364Q42.5Very low40.9Very low97 Ų97113.5 Ų113.545%0.45362%0.616SS.*Hα-helixtrans-62.6-43.2172.7-86172.3-28.300111.2P360 S361 Q366 L367 F368P360-Q364 HydrophobicContact CB-CB 3.95Å; S361-Q364 VanDerWaalsContact N-OE1 3.09Å; S361-Q364 WeakPolarHBondContact O-CB 3.32Å; S361-Q364 PolarHBondContact O-N 3.15Å; S361-Q364 PolarHBondContact OG-N 3.17Å; Q364-Q366 VanDerWaalsContact C-N 3.31Å; Q364-Q366 PolarHBondContact O-N 3.06Å; Q364-L367 PolarHBondContact O-N 3.3Å; Q364-F368 WeakPolarHBondContact O-CD2 3.25Å; Q364-F368 PolarHBondContact O-N 3.5Å
365L47Very low41.8Very low90 Ų90114.4 Ų114.447%0.47160%0.604SS.*Hα-helixtrans-62.3-38.5175.4-73.6170.4000112.1S361 P362 F368 Q369S361-L365 PolarHBondContact O-N 3.37Å; P362-L365 PolarHBondContact O-N 3.29Å; L365-F368 PolarHBondContact O-N 3.01Å; L365-Q369 VanDerWaalsContact O-CG 3.31Å; L365-Q369 WeakPolarHBondContact O-CG 3.5Å; L365-Q369 PolarHBondContact O-N 3.26Å
366Q44.2Very low42.2Very low130 Ų130118 Ų11861%0.60761%0.606SS**Hα-helixtrans-70.7-34.7179.6-165.1161.1-7.700112.6P362 L363 Q364 S370P362-Q366 WeakPolarHBondContact O-CB 3.4Å; P362-Q366 PolarHBondContact O-N 3.49Å; L363-Q366 PolarHBondContact O-N 3.03Å; Q364-Q366 VanDerWaalsContact C-N 3.31Å; Q364-Q366 PolarHBondContact O-N 3.06Å; Q366-S370 PolarHBondContact O-N 3.22Å; Q366-S370 VanDerWaalsContact O-N 3.14Å; Q366-S370 PolarHBondContact O-OG 3.37Å
367L43.7Very low42.5Very low103 Ų103119.9 Ų119.954%0.53961%0.609SS.*Hα-helixtrans-66.5-42.1170.1-89.9153.9000112.1L363 Q364 Q369 S370 Y371L363-L367 PolarHBondContact O-N 3.43Å; Q364-L367 PolarHBondContact O-N 3.3Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; L367-Q369 PolarHBondContact O-N 2.91Å; L367-S370 PolarHBondContact O-N 3.25Å; L367-S370 PolarHBondContact O-OG 3.37Å; L367-Y371 HydrophobicContact CD2-CD2 4.24Å; L367-Y371 HydrophobicContact CD2-CE2 4.28Å; L367-Y371 WeakPolarHBondContact O-CD2 3.47Å; L367-Y371 PolarHBondContact O-N 2.95Å
368F46.7Very low42.9Very low104 Ų104115.2 Ų115.246%0.45659%0.594SS.*Hα-helixtrans-67.3-33.1176.4-81.7-64.4000113.1Q364 L365 Y371Q364-F368 WeakPolarHBondContact O-CD2 3.25Å; Q364-F368 PolarHBondContact O-N 3.5Å; L365-F368 PolarHBondContact O-N 3.01Å; F368-Y371 CarbonylContact O-C 3.58Å
369Q49.2Very low43Very low160 Ų160113.3 Ų113.375%0.74859%0.593SS**Hα-helixtrans-71.8-34.4176.2-76.3177.6-3.600112.8L365 L367L365-Q369 VanDerWaalsContact O-CG 3.31Å; L365-Q369 WeakPolarHBondContact O-CG 3.5Å; L365-Q369 PolarHBondContact O-N 3.26Å; L367-Q369 VanDerWaalsContact C-N 3.34Å; L367-Q369 PolarHBondContact O-N 2.91Å
370S53.9Low43.4Very low68 Ų68110.9 Ų110.948%0.47659%0.589SS.*Hα-helixtrans-81.7-22.7178.539.70000113Q366 L367Q366-S370 PolarHBondContact O-N 3.22Å; Q366-S370 VanDerWaalsContact O-N 3.14Å; Q366-S370 PolarHBondContact O-OG 3.37Å; L367-S370 PolarHBondContact O-N 3.25Å; L367-S370 PolarHBondContact O-OG 3.37Å
371Y45.6Very low43.7Very low106 Ų106112.8 Ų112.842%0.41660%0.596SS.*  trans-13272.7-179.2-57.4-77.1000113.3L367 F368 Q373 L391L367-Y371 HydrophobicContact CD2-CD2 4.24Å; L367-Y371 HydrophobicContact CD2-CE2 4.28Å; L367-Y371 WeakPolarHBondContact O-CD2 3.47Å; L367-Y371 PolarHBondContact O-N 2.95Å; F368-Y371 CarbonylContact O-C 3.58Å; Y371-Q373 PolarHBondContact O-N 3.19Å; Y371-L391 HydrophobicContact CE1-CD2 4.22Å
372P46.3Very low43.9Very low102 Ų102114.1 Ų114.166%0.66261%0.605SS**THydrogen-bonded Turntrans-67.7-0.6-175.725.6-34.2000115.5
373Q43.7Very low44.3Very low174 Ų174112.1 Ų112.181%0.81359%0.594SS**THydrogen-bonded Turntrans-94.86.6-175.8-52.9-63.94.400113.8Y371Y371-Q373 PolarHBondContact O-N 3.19Å
374I43.4Very low44.7Very low88 Ų88109 Ų10945%0.45158%0.579SS.*  trans-101.5102.5-177.8-56.7174.6000108.9
375N49.4Very low44.9Very low95 Ų95107.9 Ų107.951%0.50858%0.576SS.*  trans-106.5123.5166.8-174.22.6000108.8N377 D378N375-N377 PolarHBondContact O-N 3.29Å; N375-D378 PolarHBondContact O-N 3.38Å; N375-D378 VanDerWaalsContact O-N 3.16Å
376M41.1Very low45Very low166 Ų166106.9 Ų106.982%0.81857%0.573SS**THydrogen-bonded Turntrans-61.5-8.9-176.1-70.7-74.2-79.500114.2
377N40.6Very low45.2Very low141 Ų141107.3 Ų107.375%0.75457%0.573SS**THydrogen-bonded Turntrans-100-0.4-178.8-69.5-10.8000114.3N375 S379N375-N377 PolarHBondContact O-N 3.29Å; N377-S379 PolarHBondContact O-N 3.37Å
378D40Very low45.4Very low106 Ų106107.5 Ų107.557%0.56757%0.572SS**SBendtrans-80.2120.7-179.4-73.9-19.2000111.1N375 L380N375-D378 PolarHBondContact O-N 3.38Å; N375-D378 VanDerWaalsContact O-N 3.16Å; D378-L380 PolarHBondContact O-N 3.12Å
379S37.9Very low45.8Very low108 Ų108105.4 Ų105.476%0.75557%0.565SS**  trans-41.4126.7173.3160.50000111.7N377 D381N377-S379 PolarHBondContact O-N 3.37Å; S379-D381 VanDerWaalsContact C-N 3.28Å; S379-D381 PolarHBondContact O-N 3.03Å
380L44.1Very low45.9Very low143 Ų143101.7 Ų101.775%0.74955%0.55SS**  trans-5381.7175.3-100.372.7000111.8D378 I385D378-L380 PolarHBondContact O-N 3.12Å; L380-I385 HydrophobicContact CD2-CD1 4.15Å; L380-I385 HydrophobicContact CD2-CG1 4.48Å; L380-I385 HydrophobicContact CG-CD1 4.41Å; L380-I385 HydrophobicContact CG-CG1 4.41Å
381D40.5Very low45.8Very low103 Ų103101.9 Ų101.955%0.55155%0.545SS*.  trans-85.7144.6165.2-169.310.5000109S379 S383 V384 I385S379-D381 VanDerWaalsContact C-N 3.28Å; S379-D381 PolarHBondContact O-N 3.03Å; D381-S383 PolarHBondContact O-N 3.42Å; D381-V384 WeakPolarHBondContact O-CB 3.21Å; D381-V384 PolarHBondContact O-N 2.88Å; D381-I385 PolarHBondContact O-N 2.89Å
382S41.2Very low46Very low80 Ų80100.3 Ų100.356%0.55954%0.543SS*.Hα-helixtrans-52.4-28.3-173.8-177.90000112.9V384 T386S382-V384 VanDerWaalsContact C-N 3.34Å; S382-T386 PolarHBondContact O-N 3.31Å; S382-T386 PolarHBondContact O-OG1 3.35Å
383S48.2Very low46.1Very low65 Ų65100.5 Ų100.546%0.45554%0.535SS..Hα-helixtrans-68.5-31.4177.8101.70000113.2D381 K387D381-S383 PolarHBondContact O-N 3.42Å; S383-K387 WeakPolarHBondContact O-CG 3.34Å; S383-K387 PolarHBondContact O-N 3.16Å; S383-K387 VanDerWaalsContact O-N 3.1Å
384V48.8Very low46.2Very low59 Ų5997.4 Ų97.436%0.35852%0.523SS..Hα-helixtrans-72.2-45.7177.5-1790000109.4D381 S382 T386 K387 Q388D381-V384 WeakPolarHBondContact O-CB 3.21Å; D381-V384 PolarHBondContact O-N 2.88Å; S382-V384 VanDerWaalsContact C-N 3.34Å; V384-T386 VanDerWaalsContact C-N 3.34Å; V384-T386 PolarHBondContact O-N 3.2Å; V384-K387 PolarHBondContact O-N 2.9Å; V384-K387 VanDerWaalsContact O-N 3.15Å; V384-Q388 WeakPolarHBondContact O-CB 3.08Å; V384-Q388 PolarHBondContact O-N 3.31Å
385I47.2Very low46.6Very low75 Ų7595.8 Ų95.839%0.38552%0.52SS..Hα-helixtrans-59.2-45.3176.6-59.2174.1000110.7L380 D381 K387 Q388 L389L380-I385 HydrophobicContact CD2-CD1 4.15Å; L380-I385 HydrophobicContact CD2-CG1 4.48Å; L380-I385 HydrophobicContact CG-CD1 4.41Å; L380-I385 HydrophobicContact CG-CG1 4.41Å; D381-I385 PolarHBondContact O-N 2.89Å; I385-K387 VanDerWaalsContact C-N 3.35Å; I385-K387 PolarHBondContact O-N 3.37Å; I385-Q388 PolarHBondContact O-N 3.32Å; I385-L389 HydrophobicContact CG2-CD1 3.98Å; I385-L389 WeakPolarHBondContact O-CB 3.42Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.28Å
386T49Very low46.4Very low68 Ų6893.1 Ų93.142%0.41751%0.505SS..Hα-helixtrans-63.6-39.2177.1-53.60000112.2S382 V384 N390S382-T386 PolarHBondContact O-N 3.31Å; S382-T386 PolarHBondContact O-OG1 3.35Å; V384-T386 VanDerWaalsContact C-N 3.34Å; V384-T386 PolarHBondContact O-N 3.2Å; T386-N390 VanDerWaalsContact O-CG 3.22Å; T386-N390 PolarHBondContact O-N 3.15Å; T386-N390 PolarHBondContact O-OD1 2.91Å
387K49Very low46.8Very low139 Ų13990.4 Ų90.460%0.60450%0.498SS*.Hα-helixtrans-66.5-38.7175.1-79178.2179.1176.80112S383 V384 I385 N390 L391S383-K387 WeakPolarHBondContact O-CG 3.34Å; S383-K387 PolarHBondContact O-N 3.16Å; S383-K387 VanDerWaalsContact O-N 3.1Å; V384-K387 PolarHBondContact O-N 2.9Å; V384-K387 VanDerWaalsContact O-N 3.15Å; I385-K387 VanDerWaalsContact C-N 3.35Å; I385-K387 PolarHBondContact O-N 3.37Å; K387-N390 PolarHBondContact O-N 3.17Å; K387-L391 WeakPolarHBondContact O-CB 3.45Å; K387-L391 VanDerWaalsContact O-CG 3.32Å; K387-L391 WeakPolarHBondContact O-CG 3.24Å; K387-L391 PolarHBondContact O-N 2.54Å
388Q48.8Very low46.9Very low108 Ų10891.3 Ų91.351%0.50550%0.497SS..Hα-helixtrans-66.8-41.8177.9-136.2140.8-12.700111.3V384 I385 L391 M392V384-Q388 WeakPolarHBondContact O-CB 3.08Å; V384-Q388 PolarHBondContact O-N 3.31Å; I385-Q388 PolarHBondContact O-N 3.32Å; Q388-L391 PolarHBondContact O-N 2.77Å; Q388-M392 HydrophobicContact CG-CE 4.32Å; Q388-M392 WeakPolarHBondContact O-CB 3.37Å; Q388-M392 PolarHBondContact O-N 2.71Å
389L55Low46.8Very low60 Ų6091.5 Ų91.531%0.31450%0.499SS..Hα-helixtrans-59.3-50.6172.2-82.6160.9000111.5I385 L391 M392 E393 Y414I385-L389 HydrophobicContact CG2-CD1 3.98Å; I385-L389 WeakPolarHBondContact O-CB 3.42Å; I385-L389 WeakPolarHBondContact O-CG 3.43Å; I385-L389 PolarHBondContact O-N 3.28Å; L389-L391 VanDerWaalsContact C-N 3.31Å; L389-L391 PolarHBondContact O-N 2.64Å; L389-M392 PolarHBondContact O-N 2.84Å; L389-M392 VanDerWaalsContact O-N 3.16Å; L389-E393 WeakPolarHBondContact O-CB 3.1Å; L389-E393 WeakPolarHBondContact O-CG 3.16Å; L389-E393 PolarHBondContact O-N 3Å; L389-Y414 HydrophobicContact CD2-CE1 3.61Å
390N51.1Low47.1Very low82 Ų8294.7 Ų94.744%0.43950%0.501SS..Hα-helixtrans-63.8-36.3-180-68.7-5.2000112.4T386 K387 L394T386-N390 VanDerWaalsContact O-CG 3.22Å; T386-N390 PolarHBondContact O-N 3.15Å; T386-N390 PolarHBondContact O-OD1 2.91Å; K387-N390 PolarHBondContact O-N 3.17Å; N390-L394 VanDerWaalsContact O-CG 3.31Å; N390-L394 WeakPolarHBondContact O-CG 3.5Å; N390-L394 PolarHBondContact O-N 3.46Å
391L50.9Low46.9Very low71 Ų7192.6 Ų92.637%0.37249%0.489SS..Hα-helixtrans-70.2-36.5175.4-77.1165.3000111.8Y371 K387 Q388 L389 L394 S395Y371-L391 HydrophobicContact CE1-CD2 4.22Å; K387-L391 WeakPolarHBondContact O-CB 3.45Å; K387-L391 VanDerWaalsContact O-CG 3.32Å; K387-L391 WeakPolarHBondContact O-CG 3.24Å; K387-L391 PolarHBondContact O-N 2.54Å; Q388-L391 PolarHBondContact O-N 2.77Å; L389-L391 VanDerWaalsContact C-N 3.31Å; L389-L391 PolarHBondContact O-N 2.64Å; L391-L394 PolarHBondContact O-N 3.37Å; L391-S395 PolarHBondContact O-N 2.71Å
392M49.2Very low46.9Very low73 Ų7396.6 Ų96.636%0.3650%0.504SS..Hα-helixtrans-68.1-43.3173.9-116.1177.1-78.600111.5Q388 L389 L394 S395 L396 V418Q388-M392 HydrophobicContact CG-CE 4.32Å; Q388-M392 WeakPolarHBondContact O-CB 3.37Å; Q388-M392 PolarHBondContact O-N 2.71Å; L389-M392 PolarHBondContact O-N 2.84Å; L389-M392 VanDerWaalsContact O-N 3.16Å; M392-L394 VanDerWaalsContact C-N 3.28Å; M392-L394 PolarHBondContact O-N 2.89Å; M392-S395 PolarHBondContact O-N 3.3Å; M392-S395 VanDerWaalsContact O-N 3.17Å; M392-L396 WeakPolarHBondContact O-CB 3.46Å; M392-L396 VanDerWaalsContact O-CG 3.24Å; M392-L396 WeakPolarHBondContact O-CG 3.2Å; M392-L396 PolarHBondContact O-N 3.42Å; M392-V418 HydrophobicContact SD-CG1 3.85Å
393E49.8Very low46.7Very low107 Ų10795.4 Ų95.450%0.549%0.491SS..Hα-helixtrans-56.3-43.7173.1-77.2-180172.500110.9L389 L396 V397L389-E393 WeakPolarHBondContact O-CB 3.1Å; L389-E393 WeakPolarHBondContact O-CG 3.16Å; L389-E393 PolarHBondContact O-N 3Å; E393-L396 PolarHBondContact O-N 3.08Å; E393-V397 VanDerWaalsContact O-CG2 3.28Å; E393-V397 WeakPolarHBondContact O-CG2 3.03Å; E393-V397 PolarHBondContact O-N 3.05Å
394L46.1Very low46.3Very low108 Ų10894.8 Ų94.857%0.56549%0.487SS*.Hα-helixtrans-64.4-42.9175.6-75.1168000112.6N390 L391 M392 L396 V397 E398N390-L394 VanDerWaalsContact O-CG 3.31Å; N390-L394 WeakPolarHBondContact O-CG 3.5Å; N390-L394 PolarHBondContact O-N 3.46Å; L391-L394 PolarHBondContact O-N 3.37Å; M392-L394 VanDerWaalsContact C-N 3.28Å; M392-L394 PolarHBondContact O-N 2.89Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 3.39Å; L394-V397 PolarHBondContact O-N 2.91Å; L394-E398 PolarHBondContact O-N 2.71Å
395S50.5Low45.8Very low55 Ų5598.1 Ų98.139%0.38551%0.507SS..Hα-helixtrans-63.6-33.7175.9-177.30000112.5L391 M392 N399L391-S395 PolarHBondContact O-N 2.71Å; M392-S395 PolarHBondContact O-N 3.3Å; M392-S395 VanDerWaalsContact O-N 3.17Å; S395-N399 WeakPolarHBondContact O-CB 3.48Å; S395-N399 PolarHBondContact O-N 3.33Å; S395-N399 VanDerWaalsContact O-N 3.13Å; S395-N399 PolarHBondContact O-ND2 3.04Å
396L46.6Very low45.6Very low39 Ų3996 Ų9620%0.20450%0.501CS..Hα-helixtrans-73.7-37177.9-70.8166.7000111.5M392 E393 L394 N399 H400 M401 I403M392-L396 WeakPolarHBondContact O-CB 3.46Å; M392-L396 VanDerWaalsContact O-CG 3.24Å; M392-L396 WeakPolarHBondContact O-CG 3.2Å; M392-L396 PolarHBondContact O-N 3.42Å; E393-L396 PolarHBondContact O-N 3.08Å; L394-L396 VanDerWaalsContact C-N 3.29Å; L394-L396 PolarHBondContact O-N 3.39Å; L396-N399 PolarHBondContact O-N 3.17Å; L396-H400 PolarHBondContact O-N 3.27Å; L396-M401 HydrophobicContact CD2-CB 4.49Å; L396-M401 HydrophobicContact CD2-CE 3.35Å; L396-M401 PolarHBondContact O-N 3.42Å; L396-I403 HydrophobicContact CD1-CD1 4.26Å; L396-I403 HydrophobicContact CD2-CD1 4.34Å
397V48.2Very low45.2Very low108 Ų10895.4 Ų95.466%0.65549%0.493SS*.Hα-helixtrans-65.2-41.8172.4172.30000111.3E393 L394 H400E393-V397 VanDerWaalsContact O-CG2 3.28Å; E393-V397 WeakPolarHBondContact O-CG2 3.03Å; E393-V397 PolarHBondContact O-N 3.05Å; L394-V397 PolarHBondContact O-N 2.91Å; V397-H400 PolarHBondContact O-N 2.95Å
398E42.2Very low44.7Very low160 Ų16093 Ų9375%0.74849%0.486SS*.Hα-helixtrans-67.1-33.7176.9-83.2-175.6160.900113.1L394 H400L394-E398 PolarHBondContact O-N 2.71Å; E398-H400 VanDerWaalsContact C-N 3.27Å; E398-H400 PolarHBondContact O-N 3.34Å
399N38.1Very low44.6Very low111 Ų11191.9 Ų91.959%0.59450%0.495SS*.THydrogen-bonded Turntrans-86.712.8179.3-71.2-58.9000114.1S395 L396 M401S395-N399 WeakPolarHBondContact O-CB 3.48Å; S395-N399 PolarHBondContact O-N 3.33Å; S395-N399 VanDerWaalsContact O-N 3.13Å; S395-N399 PolarHBondContact O-ND2 3.04Å; L396-N399 PolarHBondContact O-N 3.17Å; N399-M401 PolarHBondContact O-N 3.35Å
400H45.5Very low43.8Very low174 Ų17490.6 Ų90.681%0.80649%0.491SS*.THydrogen-bonded Turntrans50.926.5179.2-68.5-64.2000114.6L396 V397 E398 E402L396-H400 PolarHBondContact O-N 3.27Å; V397-H400 PolarHBondContact O-N 2.95Å; E398-H400 VanDerWaalsContact C-N 3.27Å; E398-H400 PolarHBondContact O-N 3.34Å; H400-E402 PolarHBondContact O-N 3.27Å; H400-E402 VanDerWaalsContact O-N 3.11Å
401M38.5Very low43.4Very low99 Ų9991.4 Ų91.449%0.48850%0.501SS..  trans-80.793.5169.8-67.8-143.1-61.600108L396 N399 I403L396-M401 HydrophobicContact CD2-CB 4.49Å; L396-M401 HydrophobicContact CD2-CE 3.35Å; L396-M401 PolarHBondContact O-N 3.42Å; N399-M401 PolarHBondContact O-N 3.35Å; M401-I403 PolarHBondContact O-N 3.39Å
402E40.1Very low42.9Very low187 Ų18795.6 Ų95.687%0.87452%0.519SS*.  trans-65.881.7164.6-72.9-173173.500108.8H400 S404H400-E402 PolarHBondContact O-N 3.27Å; H400-E402 VanDerWaalsContact O-N 3.11Å; E402-S404 VanDerWaalsContact C-N 3.29Å; E402-S404 PolarHBondContact O-N 3.26Å
403I38.6Very low42.6Very low56 Ų5695.3 Ų95.329%0.28752%0.521SS..  trans-68.699.1158.5-67177.3000105L396 M401 T405 E407L396-I403 HydrophobicContact CD1-CD1 4.26Å; L396-I403 HydrophobicContact CD2-CD1 4.34Å; M401-I403 PolarHBondContact O-N 3.39Å; I403-T405 PolarHBondContact O-N 2.99Å; I403-E407 WeakPolarHBondContact CG1-OE2 3.35Å; I403-E407 HydrophobicContact CG2-CB 3.75Å; I403-E407 HydrophobicContact CG2-CG 4.22Å; I403-E407 WeakPolarHBondContact CG2-OE2 3.33Å
404S39.6Very low42.4Very low52 Ų5292.6 Ų92.636%0.36451%0.507SS..  trans-54.5139171.7840000107.5E402 A406 E407E402-S404 VanDerWaalsContact C-N 3.29Å; E402-S404 PolarHBondContact O-N 3.26Å; S404-A406 PolarHBondContact O-N 3.37Å; S404-A406 WeakPolarHBondContact OG-CB 3.39Å; S404-E407 PolarHBondContact O-N 2.82Å
405T38.7Very low42.3Very low129 Ų12993.6 Ų93.679%0.79151%0.511SS*.THydrogen-bonded Turntrans-53-10.4177.5490000113.9I403 I408I403-T405 PolarHBondContact O-N 2.99Å; T405-I408 PolarHBondContact O-N 3.13Å
406A41.7Very low41.7Very low30 Ų3095.4 Ų95.425%0.24852%0.524CS..THydrogen-bonded Turntrans-71.5-25172.300000114.4M81 S404 I408M81-A406 HydrophobicContact SD-CB 3.79Å; S404-A406 PolarHBondContact O-N 3.37Å; S404-A406 WeakPolarHBondContact OG-CB 3.39Å; A406-I408 PolarHBondContact O-N 2.63Å
407E41.3Very low41.4Very low55 Ų5598.3 Ų98.326%0.25754%0.543SS..THydrogen-bonded Turntrans-70.2-17.8174-68.3-175.1169.700112W115 I403 S404 A409W115-E407 HydrophobicContact CH2-CG 4.25Å; W115-E407 VanDerWaalsContact CH2-OE1 3.29Å; W115-E407 WeakPolarHBondContact CH2-OE1 3.45Å; I403-E407 WeakPolarHBondContact CG1-OE2 3.35Å; I403-E407 HydrophobicContact CG2-CB 3.75Å; I403-E407 HydrophobicContact CG2-CG 4.22Å; I403-E407 WeakPolarHBondContact CG2-OE2 3.33Å; S404-E407 PolarHBondContact O-N 2.82Å; E407-A409 PolarHBondContact O-N 3.46Å
408I37.7Very low40.8Very low90 Ų9098.9 Ų98.946%0.46255%0.547SS..THydrogen-bonded Turntrans-8928.5-179.2-46.7170.5000111.3T405 A406 S410T405-I408 PolarHBondContact O-N 3.13Å; A406-I408 PolarHBondContact O-N 2.63Å; I408-S410 PolarHBondContact O-N 3.18Å; I408-S410 VanDerWaalsContact O-N 3.15Å
409A47.4Very low40.8Very low83 Ų8395.9 Ų95.969%0.68654%0.537SS*.SBendtrans-67-12.9179.100000113.7E407E407-A409 PolarHBondContact O-N 3.46Å
410S38.4Very low40.9Very low33 Ų3395.1 Ų95.123%0.23153%0.534CS..  trans-152.2136.1168.3172.90000111.6I408 E412 V413 Y414I408-S410 PolarHBondContact O-N 3.18Å; I408-S410 VanDerWaalsContact O-N 3.15Å; S410-E412 PolarHBondContact O-N 3.21Å; S410-E412 VanDerWaalsContact O-N 3.12Å; S410-E412 PolarHBondContact OG-N 3.01Å; S410-V413 PolarHBondContact O-N 3.38Å; S410-Y414 PolarHBondContact O-N 3.28Å
411P41.4Very low40.7Very low100 Ų10090.7 Ų90.765%0.64952%0.519SS*.Hα-helixtrans-53-28.2170-25.734.4000114Y414 I415P411-Y414 PolarHBondContact O-N 3.4Å; P411-I415 VanDerWaalsContact O-CG1 3.31Å; P411-I415 WeakPolarHBondContact O-CG1 3.4Å; P411-I415 PolarHBondContact O-N 3.06Å; P411-I415 VanDerWaalsContact O-N 3.09Å
412E41.4Very low40.8Very low158 Ų15890.2 Ų90.274%0.73852%0.521SS*.Hα-helixtrans-68.9-35.6177.4-66171.7168.900112.1S410 S416S410-E412 PolarHBondContact O-N 3.21Å; S410-E412 VanDerWaalsContact O-N 3.12Å; S410-E412 PolarHBondContact OG-N 3.01Å; E412-S416 PolarHBondContact O-N 2.98Å; E412-S416 PolarHBondContact O-OG 2.88Å
413V42.6Very low40.8Very low68 Ų6884.1 Ų84.141%0.41250%0.498SS..Hα-helixtrans-73.2-37.5176.21770000110.4S410 I415 S416 T417S410-V413 PolarHBondContact O-N 3.38Å; V413-I415 VanDerWaalsContact C-N 3.31Å; V413-I415 PolarHBondContact O-N 2.84Å; V413-S416 PolarHBondContact O-N 3.3Å; V413-S416 PolarHBondContact O-OG 2.72Å; V413-T417 VanDerWaalsContact O-CB 3.25Å; V413-T417 WeakPolarHBondContact O-CB 3.47Å; V413-T417 PolarHBondContact O-N 2.8Å; V413-T417 PolarHBondContact O-OG1 2.88Å
414Y46.6Very low41Very low50 Ų5086 Ų8620%0.19651%0.513CS..Hα-helixtrans-62.1-39.5174.3-173.4-93.6000111.9L389 S410 P411 V418L389-Y414 HydrophobicContact CD2-CE1 3.61Å; S410-Y414 PolarHBondContact O-N 3.28Å; P411-Y414 PolarHBondContact O-N 3.4Å; Y414-V418 HydrophobicContact CE1-CG2 4.42Å; Y414-V418 VanDerWaalsContact O-CG2 3.31Å; Y414-V418 WeakPolarHBondContact O-CG2 3.47Å; Y414-V418 PolarHBondContact O-N 2.87Å
415I43Very low41.1Very low128 Ų12888.4 Ų88.466%0.65652%0.523SS*.Hα-helixtrans-72.2-26.7177.3-68.2167.1000112.7P411 V413 V418P411-I415 VanDerWaalsContact O-CG1 3.31Å; P411-I415 WeakPolarHBondContact O-CG1 3.4Å; P411-I415 PolarHBondContact O-N 3.06Å; P411-I415 VanDerWaalsContact O-N 3.09Å; V413-I415 VanDerWaalsContact C-N 3.31Å; V413-I415 PolarHBondContact O-N 2.84Å; I415-V418 VanDerWaalsContact O-OXT 3.09Å
416S38.3Very low41.3Very low94 Ų9485.3 Ų85.366%0.65750%0.503SS*.Hα-helixtrans-92.5-22.4179.672.30000114.5E412 V413E412-S416 PolarHBondContact O-N 2.98Å; E412-S416 PolarHBondContact O-OG 2.88Å; V413-S416 PolarHBondContact O-N 3.3Å; V413-S416 PolarHBondContact O-OG 2.72Å
417T39.4Very low41.2Very low99 Ų9989.9 Ų89.961%0.60752%0.524SS*.Hα-helixtrans-82.6-29.6179.2-53.60000111.5V413V413-T417 VanDerWaalsContact O-CB 3.25Å; V413-T417 WeakPolarHBondContact O-CB 3.47Å; V413-T417 PolarHBondContact O-N 2.8Å; V413-T417 PolarHBondContact O-OG1 2.88Å
418V37.3Very low41.2Very low121 Ų12193.1 Ų93.173%0.73355%0.548SS*.  trans-84.40167.8179.30000108.9M392 Y414 I415M392-V418 HydrophobicContact SD-CG1 3.85Å; Y414-V418 HydrophobicContact CE1-CG2 4.42Å; Y414-V418 VanDerWaalsContact O-CG2 3.31Å; Y414-V418 WeakPolarHBondContact O-CG2 3.47Å; Y414-V418 PolarHBondContact O-N 2.87Å; I415-V418 VanDerWaalsContact O-OXT 3.09Å

Retrieved 418 of 418 residues in 85.4 ms (Link to these results)

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