A0A096MSZ7_PAPAN Loading...

Transmembrane 4 L six family member 4

AlphaFold DB , UniProt , Accession A0A096MSZ7, Species PAPAN (Papio anubis, Olive baboon), Gene TM4SF4, Length 202 aa.

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

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
1M33.5Very low55.3Low235 Ų23578.1 Ų78.1100%1.15846%0.459SS*.  0135.80-68.6166.574.700108.9T3M1-T3 PolarHBondContact O-N 2.91Å
2C45.8Very low56.4Low98 Ų9875.3 Ų75.366%0.66246%0.46SS*.  trans-72.286.4-158.7-60.40000114.4G4 S5 C6C2-G4 PolarHBondContact O-N 3.15Å; C2-G4 VanDerWaalsContact O-N 3.13Å; C2-S5 PolarHBondContact O-N 3.43Å; C2-S5 VanDerWaalsContact O-N 3.17Å; C2-C6 PolarHBondContact O-N 3.23Å
3T50.7Low57.7Low42 Ų4274.6 Ų74.626%0.25846%0.456SS..Hα-helixtrans-53.6-29.2170.829.60000113M1 A7 N180M1-T3 PolarHBondContact O-N 2.91Å; T3-A7 WeakPolarHBondContact O-CB 3.3Å; T3-A7 PolarHBondContact O-N 3.42Å; T3-N180 HydrophobicContact CG2-CB 4.23Å
4G49.5Very low58.7Low50 Ų5069.5 Ų69.552%0.51542%0.424SS..Hα-helixtrans-68.4-37.3177.100000115.3C2 R8C2-G4 PolarHBondContact O-N 3.15Å; C2-G4 VanDerWaalsContact O-N 3.13Å; G4-R8 PolarHBondContact O-N 3.18Å
5S51.6Low59.7Low82 Ų8268.7 Ų68.757%0.57342%0.415SS*.Hα-helixtrans-73.2-36.6176.4-87.20000111.8C2 R8 C9C2-S5 PolarHBondContact O-N 3.43Å; C2-S5 VanDerWaalsContact O-N 3.17Å; S5-R8 WeakPolarHBondContact O-CB 3.17Å; S5-R8 PolarHBondContact O-N 3.26Å; S5-C9 PolarHBondContact O-N 3.37Å
6C58.3Low60.9Low52 Ų5267.6 Ų67.635%0.35141%0.41SS..Hα-helixtrans-65-44.6175.2-1720000111.4C2 R8 C9 L10C2-C6 PolarHBondContact O-N 3.23Å; C6-R8 PolarHBondContact O-N 3.29Å; C6-C9 PolarHBondContact O-N 3.47Å; C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.34Å; C6-L10 PolarHBondContact O-N 3.36Å
7A59.2Low61.9Low14 Ų1465.6 Ų65.612%0.11640%0.397CS..Hα-helixtrans-59.8-33.8175.100000112.9T3 L10 G11T3-A7 WeakPolarHBondContact O-CB 3.3Å; T3-A7 PolarHBondContact O-N 3.42Å; A7-L10 PolarHBondContact O-N 2.95Å; A7-G11 PolarHBondContact O-N 2.77Å
8R60.3Low62.6Low168 Ų16862.8 Ų62.863%0.63438%0.382SS*.Hα-helixtrans-66.5-41.8177.1-162.8177.6-176.4129.1-1.9112.3G4 S5 C6 G12G4-R8 PolarHBondContact O-N 3.18Å; S5-R8 WeakPolarHBondContact O-CB 3.17Å; S5-R8 PolarHBondContact O-N 3.26Å; C6-R8 PolarHBondContact O-N 3.29Å; R8-G12 PolarHBondContact O-N 3.18Å
9C66.2Low63.4Low94 Ų9464.9 Ų64.964%0.63539%0.39SS*.Hα-helixtrans-67.1-44.5174.1-68.60000111.6S5 C6 G12 T13S5-C9 PolarHBondContact O-N 3.37Å; C6-C9 PolarHBondContact O-N 3.47Å; C9-G12 PolarHBondContact O-N 3.47Å; C9-T13 PolarHBondContact O-N 3.42Å; C9-T13 VanDerWaalsContact O-N 3.1Å; C9-T13 PolarHBondContact O-OG1 3.18Å; C9-T13 VanDerWaalsContact O-OG1 3.08Å
10L67.8Low64.3Low19 Ų1968.4 Ų68.410%0.09940%0.4CS..Hα-helixtrans-61.6-46.8-179.8-68.3170.9000112.1C6 A7 G12 T13 L14 L173 I176C6-L10 VanDerWaalsContact O-CG 3.29Å; C6-L10 WeakPolarHBondContact O-CG 3.34Å; C6-L10 PolarHBondContact O-N 3.36Å; A7-L10 PolarHBondContact O-N 2.95Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 2.96Å; L10-T13 PolarHBondContact O-N 3.18Å; L10-T13 PolarHBondContact O-OG1 3.37Å; L10-L14 PolarHBondContact O-N 3.06Å; L10-L173 HydrophobicContact CD2-CD2 3.53Å; L10-I176 HydrophobicContact CD1-CG2 3.93Å; L10-I176 HydrophobicContact CD2-CG2 4.44Å
11G65.9Low64.8Low5 Ų565.1 Ų65.15%0.05238%0.381CS..Hα-helixtrans-62.3-39.1175.900000112.8A7 T13 L14 I15A7-G11 PolarHBondContact O-N 2.77Å; G11-T13 PolarHBondContact O-N 3.34Å; G11-L14 PolarHBondContact O-N 3.06Å; G11-I15 WeakPolarHBondContact O-CD1 3.29Å; G11-I15 WeakPolarHBondContact O-CG1 3.28Å; G11-I15 PolarHBondContact O-N 3.06Å
12G68.3Low66.9Low45 Ų4558.1 Ų58.146%0.46434%0.344SS..Hα-helixtrans-61.3-40175.800000113.3R8 C9 L10 P16R8-G12 PolarHBondContact O-N 3.18Å; C9-G12 PolarHBondContact O-N 3.47Å; L10-G12 VanDerWaalsContact C-N 3.34Å; L10-G12 PolarHBondContact O-N 2.96Å; G12-P16 WeakPolarHBondContact O-CD 3.32Å
13T72.9Confident68.5Low66 Ų6657.8 Ų57.841%0.40534%0.335SS..Hα-helixtrans-75.1-30.917539.60000113.7C9 L10 G11 I15 P16 L17C9-T13 PolarHBondContact O-N 3.42Å; C9-T13 VanDerWaalsContact O-N 3.1Å; C9-T13 PolarHBondContact O-OG1 3.18Å; C9-T13 VanDerWaalsContact O-OG1 3.08Å; L10-T13 PolarHBondContact O-N 3.18Å; L10-T13 PolarHBondContact O-OG1 3.37Å; G11-T13 PolarHBondContact O-N 3.34Å; T13-I15 PolarHBondContact O-N 3.27Å; T13-P16 VanDerWaalsContact O-CD 3.31Å; T13-P16 WeakPolarHBondContact O-CD 3.42Å; T13-P16 WeakPolarHBondContact O-CG 3.38Å; T13-L17 VanDerWaalsContact O-CD1 3.3Å; T13-L17 WeakPolarHBondContact O-CD1 3.3Å
14L71.6Confident69.8Low3 Ų356.2 Ų56.22%0.01633%0.326CS..Hα-helixtrans-68.7-34.3-178.2-120.1106.6000112.9L10 G11 L17 A18 M59 F66 L173L10-L14 PolarHBondContact O-N 3.06Å; G11-L14 PolarHBondContact O-N 3.06Å; L14-L17 PolarHBondContact O-N 3.35Å; L14-A18 WeakPolarHBondContact O-CB 3.05Å; L14-A18 PolarHBondContact O-N 2.92Å; L14-M59 HydrophobicContact CD2-CE 3.65Å; L14-F66 HydrophobicContact CD1-CE2 4.48Å; L14-F66 HydrophobicContact CD2-CD2 4.28Å; L14-F66 HydrophobicContact CD2-CE2 3.99Å; L14-L173 HydrophobicContact CD1-CB 3.62Å; L14-L173 HydrophobicContact CD1-CD1 3.9Å; L14-L173 HydrophobicContact CD1-CG 4.4Å
15I74.2Confident71.1Confident57 Ų5754.3 Ų54.329%0.29230%0.304SS..Hα-helixtrans-59.7-56-177.7-66.5159.2000112.8G11 T13 L17 A18 L19 L67G11-I15 WeakPolarHBondContact O-CD1 3.29Å; G11-I15 WeakPolarHBondContact O-CG1 3.28Å; G11-I15 PolarHBondContact O-N 3.06Å; T13-I15 PolarHBondContact O-N 3.27Å; I15-L17 VanDerWaalsContact C-N 3.28Å; I15-L17 PolarHBondContact O-N 3.27Å; I15-A18 PolarHBondContact O-N 3.28Å; I15-L19 HydrophobicContact CG2-CD1 4.32Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.28Å; I15-L67 HydrophobicContact CD1-CD1 3.87Å
16P78.3Confident72.2Confident51 Ų5153.5 Ų53.533%0.33129%0.293SS..Hα-helixtrans-62.4-37.6178.724.1-33.5000111.4G12 T13 A18 L19 F20G12-P16 WeakPolarHBondContact O-CD 3.32Å; T13-P16 VanDerWaalsContact O-CD 3.31Å; T13-P16 WeakPolarHBondContact O-CD 3.42Å; T13-P16 WeakPolarHBondContact O-CG 3.38Å; P16-A18 PolarHBondContact O-N 3.46Å; P16-L19 PolarHBondContact O-N 2.76Å; P16-F20 WeakPolarHBondContact O-CD2 3.35Å; P16-F20 PolarHBondContact O-N 3.48Å
17L77.9Confident73.1Confident35 Ų3554.4 Ų54.418%0.18329%0.294CS..Hα-helixtrans-62.8-41.9176.7-93.473.8000112.3T13 L14 I15 F20 G21 V166 I169 Q170 L173T13-L17 VanDerWaalsContact O-CD1 3.3Å; T13-L17 WeakPolarHBondContact O-CD1 3.3Å; L14-L17 PolarHBondContact O-N 3.35Å; I15-L17 VanDerWaalsContact C-N 3.28Å; I15-L17 PolarHBondContact O-N 3.27Å; L17-F20 PolarHBondContact O-N 3.44Å; L17-G21 PolarHBondContact O-N 3.34Å; L17-V166 HydrophobicContact CB-CG1 4.28Å; L17-V166 HydrophobicContact CG-CG1 4.44Å; L17-V166 WeakPolarHBondContact O-CG1 3.38Å; L17-I169 HydrophobicContact CD2-CB 3.75Å; L17-I169 HydrophobicContact CD2-CD1 4.42Å; L17-I169 HydrophobicContact CD2-CG2 3.43Å; L17-I169 VanDerWaalsContact CD2-CG2 3.43Å; L17-Q170 HydrophobicContact CB-CG 4.41Å; L17-Q170 HydrophobicContact CD2-CG 4.25Å; L17-L173 HydrophobicContact CD2-CD1 4.48Å
18A74.8Confident73.8Confident15 Ų1555.6 Ų55.612%0.12430%0.298CS..Hα-helixtrans-64.3-40.2175.500000111.7L14 I15 P16 G21 F22L14-A18 WeakPolarHBondContact O-CB 3.05Å; L14-A18 PolarHBondContact O-N 2.92Å; I15-A18 PolarHBondContact O-N 3.28Å; P16-A18 PolarHBondContact O-N 3.46Å; A18-G21 PolarHBondContact O-N 2.97Å; A18-F22 WeakPolarHBondContact O-CB 3.14Å; A18-F22 PolarHBondContact O-N 2.9Å
19L78.7Confident74.2Confident103 Ų10352.5 Ų52.554%0.53929%0.289SS..Hα-helixtrans-63.6-45.5174.7-70.5173000112I15 P16 F22 L23I15-L19 HydrophobicContact CG2-CD1 4.32Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.28Å; P16-L19 PolarHBondContact O-N 2.76Å; L19-F22 PolarHBondContact O-N 3.4Å; L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.17Å
20F80.3Confident74.4Confident133 Ų13352.6 Ų52.658%0.58328%0.279SS*.Hα-helixtrans-62.2-44175.9-82.9-66.6000112P16 L17 L23 A24P16-F20 WeakPolarHBondContact O-CD2 3.35Å; P16-F20 PolarHBondContact O-N 3.48Å; L17-F20 PolarHBondContact O-N 3.44Å; F20-L23 PolarHBondContact O-N 2.65Å; F20-A24 WeakPolarHBondContact O-CB 3.26Å; F20-A24 PolarHBondContact O-N 2.93Å
21G75.8Confident74.2Confident0 Ų053.3 Ų53.30%029%0.285CS..Hα-helixtrans-59.7-4617500000111.9L17 A18 A24 N25L17-G21 PolarHBondContact O-N 3.34Å; A18-G21 PolarHBondContact O-N 2.97Å; G21-A24 PolarHBondContact O-N 3.36Å; G21-N25 PolarHBondContact O-N 2.02Å; G21-N25 PolarHBondContact O-ND2 3.3Å
22F76Confident74Confident88 Ų8854.2 Ų54.239%0.38629%0.294SS..Hα-helixtrans-60.8-46.8177.4-178.7-105.9000112.6A18 L19 N25 I26A18-F22 WeakPolarHBondContact O-CB 3.14Å; A18-F22 PolarHBondContact O-N 2.9Å; L19-F22 PolarHBondContact O-N 3.4Å; F22-N25 PolarHBondContact O-N 3.08Å; F22-I26 HydrophobicContact CD1-CD1 3.83Å; F22-I26 HydrophobicContact CE1-CD1 3.31Å; F22-I26 HydrophobicContact CE1-CG1 4.38Å; F22-I26 HydrophobicContact CE2-CD1 4.37Å; F22-I26 HydrophobicContact CZ-CD1 3.62Å; F22-I26 HydrophobicContact CZ-CG1 4.41Å; F22-I26 PolarHBondContact O-N 3.41Å; F22-I26 VanDerWaalsContact O-N 3.09Å
23L79.8Confident73.6Confident92 Ų9254.5 Ų54.548%0.48230%0.297SS..Hα-helixtrans-62.1-44.3177.2-70.7172.6000111.8L19 F20 N25 I26 L27L19-L23 WeakPolarHBondContact O-CG 3.23Å; L19-L23 PolarHBondContact O-N 3.17Å; F20-L23 PolarHBondContact O-N 2.65Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 3.37Å; L23-I26 PolarHBondContact O-N 2.99Å; L23-I26 VanDerWaalsContact O-N 3.12Å; L23-L27 WeakPolarHBondContact O-CD1 2.74Å; L23-L27 PolarHBondContact O-N 2.97Å
24A78.3Confident73Confident8 Ų857.7 Ų57.77%0.06631%0.305CS..Hα-helixtrans-61-38178.100000112.3F20 G21 L27 L28 L159 L163F20-A24 WeakPolarHBondContact O-CB 3.26Å; F20-A24 PolarHBondContact O-N 2.93Å; G21-A24 PolarHBondContact O-N 3.36Å; A24-L27 PolarHBondContact O-N 3.24Å; A24-L28 PolarHBondContact O-N 3.08Å; A24-L28 VanDerWaalsContact O-N 3.12Å; A24-L159 HydrophobicContact CB-CD2 4.25Å; A24-L163 HydrophobicContact CB-CD2 3.83Å; A24-L163 HydrophobicContact CB-CG 4.03Å
25N76.4Confident72.3Confident10 Ų1062.9 Ų62.95%0.05334%0.337CS..Hα-helixtrans-65.1-40.1173.3-79.7-84.9000112.5G21 F22 L23 L28 F29 G51 I52 S55 L163G21-N25 PolarHBondContact O-N 2.02Å; G21-N25 PolarHBondContact O-ND2 3.3Å; F22-N25 PolarHBondContact O-N 3.08Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 3.37Å; N25-L28 WeakPolarHBondContact O-CB 3.4Å; N25-L28 PolarHBondContact O-N 3.02Å; N25-F29 WeakPolarHBondContact O-CD2 3.21Å; N25-G51 WeakPolarHBondContact OD1-CA 3.28Å; N25-G51 PolarHBondContact OD1-O 2.84Å; N25-I52 HydrophobicContact CB-CG1 4.09Å; N25-I52 PolarHBondContact OD1-N 3.07Å; N25-S55 PolarHBondContact ND2-OG 3.17Å; N25-L163 WeakPolarHBondContact ND2-CD2 3.29Å
26I75.7Confident71.3Confident66 Ų6663.9 Ų63.934%0.33834%0.342SS..Hα-helixtrans-63-44.7175.6-68.8172.5000110.6F22 L23 L28 F29 F30F22-I26 HydrophobicContact CD1-CD1 3.83Å; F22-I26 HydrophobicContact CE1-CD1 3.31Å; F22-I26 HydrophobicContact CE1-CG1 4.38Å; F22-I26 HydrophobicContact CE2-CD1 4.37Å; F22-I26 HydrophobicContact CZ-CD1 3.62Å; F22-I26 HydrophobicContact CZ-CG1 4.41Å; F22-I26 PolarHBondContact O-N 3.41Å; F22-I26 VanDerWaalsContact O-N 3.09Å; L23-I26 PolarHBondContact O-N 2.99Å; L23-I26 VanDerWaalsContact O-N 3.12Å; I26-L28 PolarHBondContact O-N 3.3Å; I26-F29 WeakPolarHBondContact O-CB 3.49Å; I26-F29 PolarHBondContact O-N 2.97Å; I26-F29 VanDerWaalsContact O-N 3.11Å; I26-F30 HydrophobicContact CG2-CE2 4.47Å
27L77.2Confident69.8Low70 Ų7068.6 Ų68.637%0.36636%0.364SS..Hα-helixtrans-63.6-26.7179-90.971.8000112.4L23 A24 F29 F30 W155 L159L23-L27 WeakPolarHBondContact O-CD1 2.74Å; L23-L27 PolarHBondContact O-N 2.97Å; A24-L27 PolarHBondContact O-N 3.24Å; L27-F29 PolarHBondContact O-N 3.39Å; L27-F30 PolarHBondContact O-N 3.14Å; L27-F30 VanDerWaalsContact O-N 3.1Å; L27-W155 HydrophobicContact CB-CZ2 4.05Å; L27-W155 HydrophobicContact CD2-CH2 4Å; L27-W155 HydrophobicContact CD2-CZ2 4.13Å; L27-W155 HydrophobicContact CG-CH2 4.48Å; L27-W155 HydrophobicContact CG-CZ2 4.21Å; L27-W155 PolarHBondContact O-NE1 3.45Å; L27-L159 HydrophobicContact CB-CD1 3.95Å; L27-L159 HydrophobicContact CB-CD2 3.99Å; L27-L159 HydrophobicContact CD2-CD2 4.31Å
28L73.4Confident68.3Low40 Ų4072.7 Ų72.721%0.20939%0.386CS..Hα-helixtrans-67.4-23.1176.9-129.6142.7000112.7A24 N25 I26 F30 L159 F160 L163A24-L28 PolarHBondContact O-N 3.08Å; A24-L28 VanDerWaalsContact O-N 3.12Å; N25-L28 WeakPolarHBondContact O-CB 3.4Å; N25-L28 PolarHBondContact O-N 3.02Å; I26-L28 PolarHBondContact O-N 3.3Å; L28-F30 PolarHBondContact O-N 3.08Å; L28-L159 HydrophobicContact CB-CD1 4.35Å; L28-L159 HydrophobicContact CD1-CB 3.89Å; L28-L159 HydrophobicContact CG-CB 4.38Å; L28-L159 HydrophobicContact CG-CD1 4.16Å; L28-F160 HydrophobicContact CD1-CD1 3.79Å; L28-F160 HydrophobicContact CD1-CD2 4.5Å; L28-F160 HydrophobicContact CD1-CE1 3.55Å; L28-F160 HydrophobicContact CD1-CE2 4.28Å; L28-F160 HydrophobicContact CD1-CG 4.26Å; L28-F160 HydrophobicContact CD1-CZ 3.82Å; L28-F160 HydrophobicContact CD2-CE1 3.89Å; L28-F160 HydrophobicContact CD2-CE2 3.87Å; L28-F160 HydrophobicContact CD2-CZ 3.35Å; L28-F160 HydrophobicContact CG-CE1 4.37Å; L28-F160 HydrophobicContact CG-CZ 4.17Å; L28-L163 HydrophobicContact CD1-CD1 3.76Å
29F68.9Low67.1Low103 Ų10378.7 Ų78.745%0.45242%0.416SS..THydrogen-bonded Turntrans-71.1-16.5171.3-79.7-82000114.1N25 I26 L27 P31 I46 I52N25-F29 WeakPolarHBondContact O-CD2 3.21Å; I26-F29 WeakPolarHBondContact O-CB 3.49Å; I26-F29 PolarHBondContact O-N 2.97Å; I26-F29 VanDerWaalsContact O-N 3.11Å; L27-F29 PolarHBondContact O-N 3.39Å; F29-P31 VanDerWaalsContact C-CD 3.43Å; F29-P31 WeakPolarHBondContact O-CD 3.04Å; F29-I46 HydrophobicContact CE1-CG2 4.24Å; F29-I52 HydrophobicContact CD2-CD1 4.38Å; F29-I52 HydrophobicContact CE1-CD1 4.42Å; F29-I52 HydrophobicContact CE2-CD1 3.16Å; F29-I52 HydrophobicContact CE2-CG1 4.03Å; F29-I52 HydrophobicContact CZ-CD1 3.18Å; F29-I52 HydrophobicContact CZ-CG1 4.45Å
30F70.1Confident65.6Low95 Ų9580.5 Ų80.542%0.41743%0.427SS..SBendtrans-107.880.2179.4-65.1-81.4000109.5I26 L27 L28 G32 G33 V35 W155I26-F30 HydrophobicContact CG2-CE2 4.47Å; L27-F30 PolarHBondContact O-N 3.14Å; L27-F30 VanDerWaalsContact O-N 3.1Å; L28-F30 PolarHBondContact O-N 3.08Å; F30-G32 PolarHBondContact O-N 3.37Å; F30-G32 VanDerWaalsContact O-N 3.08Å; F30-G33 PolarHBondContact O-N 3.39Å; F30-V35 HydrophobicContact CE1-CG2 4.3Å; F30-W155 PolarHBondContact O-NE1 3.47Å
31P63.2Low64Low35 Ų3581 Ų8123%0.22743%0.431CS..G310 helixtrans-59.1116.8179.825.2-34.9000110.2F29 G33 I36 V152F29-P31 VanDerWaalsContact C-CD 3.43Å; F29-P31 WeakPolarHBondContact O-CD 3.04Å; P31-G33 PolarHBondContact O-N 3.43Å; P31-I36 HydrophobicContact CG-CD1 3.6Å; P31-I36 HydrophobicContact CG-CG1 4.45Å; P31-V152 HydrophobicContact CB-CG2 4.38Å
32G62.7Low62.7Low24 Ų2485.5 Ų85.525%0.24745%0.454CS..G310 helixtrans68.915.2-179.800000114.9F30 K34F30-G32 PolarHBondContact O-N 3.37Å; F30-G32 VanDerWaalsContact O-N 3.08Å; G32-K34 PolarHBondContact O-N 3.1Å
33G59.9Low60.9Low50 Ų5082.9 Ų82.952%0.51545%0.447SS..G310 helixtrans7014.4176.300000115.2F30 P31F30-G33 PolarHBondContact O-N 3.39Å; P31-G33 PolarHBondContact O-N 3.43Å
34K58.9Low59.2Low133 Ų13387.5 Ų87.558%0.57847%0.466SS*.  trans-104.2140173.7-66.7-175.6-178.8173.80109.9G32 I36G32-K34 PolarHBondContact O-N 3.1Å; K34-I36 PolarHBondContact O-N 3.32Å
35V56.8Low57.4Low113 Ų11391.9 Ų91.969%0.68549%0.485SS*.  trans-76.5112.5166.8-174.40000105.9F30 D37F30-V35 HydrophobicContact CE1-CG2 4.3Å; V35-D37 PolarHBondContact O-N 2.52Å
36I54.1Low56Low77 Ų7795.2 Ų95.240%0.39550%0.502SS..  trans-79.4118178.7-60.5-179.1000107.4P31 K34 D38 L42P31-I36 HydrophobicContact CG-CD1 3.6Å; P31-I36 HydrophobicContact CG-CG1 4.45Å; K34-I36 PolarHBondContact O-N 3.32Å; I36-D38 VanDerWaalsContact C-N 3.33Å; I36-L42 HydrophobicContact CD1-CD1 4.35Å; I36-L42 HydrophobicContact CG2-CD1 4.4Å
37D47.2Very low54.4Low150 Ų150102.8 Ų102.880%0.80253%0.526SS*.  trans-79.1-10-178.9-102.7-34.4000113.7V35V35-D37 PolarHBondContact O-N 2.52Å
38D46.8Very low52.9Low121 Ų121105.6 Ų105.665%0.64754%0.536SS*.  trans-110.5110.5-179.1-95.7-51.1000112.6I36 D40I36-D38 VanDerWaalsContact C-N 3.33Å; D38-D40 VanDerWaalsContact C-N 3.33Å; D38-D40 PolarHBondContact O-N 3.48Å
39N49Very low51.9Low141 Ų141108.5 Ų108.575%0.75455%0.547SS*.THydrogen-bonded Turntrans-80.2-0.5-175.3-78.9-63.8000114.7
40D48.2Very low51Low141 Ų141103.6 Ų103.675%0.75453%0.526SS*.THydrogen-bonded Turntrans-92.5-8-166.2-87.5-33.1000116D38D38-D40 VanDerWaalsContact C-N 3.33Å; D38-D40 PolarHBondContact O-N 3.48Å
41H45.5Very low50.1Low145 Ų14599.8 Ų99.867%0.67151%0.513SS*.SBendtrans-126.69.4-179.3-62-50.5000114.7S43H41-S43 VanDerWaalsContact C-N 3.32Å; H41-S43 PolarHBondContact O-N 3.22Å
42L47.7Very low49.9Very low93 Ų9399.9 Ų99.949%0.48751%0.511SS..  trans-71.993.2173.6-111.677.2000108.3I36 I46I36-L42 HydrophobicContact CD1-CD1 4.35Å; I36-L42 HydrophobicContact CG2-CD1 4.4Å; L42-I46 HydrophobicContact CB-CD1 3.38Å; L42-I46 HydrophobicContact CD2-CD1 3.28Å; L42-I46 HydrophobicContact CD2-CG1 4.37Å; L42-I46 HydrophobicContact CG-CD1 3.47Å; L42-I46 VanDerWaalsContact CG-CD1 3.47Å
43S40.1Very low49.8Very low33 Ų33102.9 Ų102.923%0.23152%0.521CS..  trans-46.8142.3-176.2-630000110.9H41 E45 I46 K119H41-S43 VanDerWaalsContact C-N 3.32Å; H41-S43 PolarHBondContact O-N 3.22Å; S43-E45 PolarHBondContact O-N 3.4Å; S43-I46 PolarHBondContact O-N 3.01Å; S43-I46 VanDerWaalsContact O-N 3.15Å; S43-K119 PolarHBondContact OG-NZ 3.48Å
44Q43.1Very low49.9Very low189 Ų189100.5 Ų100.588%0.88350%0.497SS*.G310 helixtrans-48.4-5.3175.1-68.9170.8-55.200115.2I46 W47Q44-I46 PolarHBondContact O-N 3.26Å; Q44-W47 WeakPolarHBondContact O-CB 3.3Å; Q44-W47 PolarHBondContact O-N 3.29Å
45E41.5Very low50Low101 Ų10194.3 Ų94.347%0.47247%0.47SS..G310 helixtrans-62.5-21.3171.4-52.1-93.3-172.900113S43 W47 F48 Y129S43-E45 PolarHBondContact O-N 3.4Å; E45-W47 PolarHBondContact O-N 2.87Å; E45-F48 WeakPolarHBondContact O-CB 3.45Å; E45-F48 PolarHBondContact O-N 3.31Å; E45-Y129 PolarHBondContact OE1-OH 3.26Å
46I45.4Very low50.4Low79 Ų7989.1 Ų89.141%0.40544%0.44SS..G310 helixtrans-64.3-19.5169.9-63.6148.3000111.5F29 L42 S43 Q44 F48F29-I46 HydrophobicContact CE1-CG2 4.24Å; L42-I46 HydrophobicContact CB-CD1 3.38Å; L42-I46 HydrophobicContact CD2-CD1 3.28Å; L42-I46 HydrophobicContact CD2-CG1 4.37Å; L42-I46 HydrophobicContact CG-CD1 3.47Å; L42-I46 VanDerWaalsContact CG-CD1 3.47Å; S43-I46 PolarHBondContact O-N 3.01Å; S43-I46 VanDerWaalsContact O-N 3.15Å; Q44-I46 PolarHBondContact O-N 3.26Å; I46-F48 VanDerWaalsContact C-N 3.27Å
47W43.5Very low50.9Low225 Ų22588.5 Ų88.585%0.85244%0.439SS*.G310 helixtrans-79.4-11.1172.9-13980.6000112.9Q44 E45 F49Q44-W47 WeakPolarHBondContact O-CB 3.3Å; Q44-W47 PolarHBondContact O-N 3.29Å; E45-W47 PolarHBondContact O-N 2.87Å; W47-F49 PolarHBondContact O-N 3.49Å
48F45.4Very low51.8Low129 Ų12984.2 Ų84.257%0.56642%0.416SS*.  trans-78.368.5165.9-144-96.3000108.5E45 I46 G50 V109E45-F48 WeakPolarHBondContact O-CB 3.45Å; E45-F48 PolarHBondContact O-N 3.31Å; I46-F48 VanDerWaalsContact C-N 3.27Å; F48-G50 PolarHBondContact O-N 3.46Å; F48-V109 HydrophobicContact CD1-CG1 4.33Å; F48-V109 HydrophobicContact CE1-CG1 4.12Å; F48-V109 HydrophobicContact CE1-CG2 3.87Å
49F51.1Low52.8Low101 Ų10178.4 Ų78.444%0.44339%0.385SS..THydrogen-bonded Turntrans-57.825.9169.6-118.8-90.8000112.8W47 I52 L53W47-F49 PolarHBondContact O-N 3.49Å; F49-I52 HydrophobicContact CD1-CB 3.98Å; F49-I52 HydrophobicContact CD1-CD1 4.2Å; F49-I52 HydrophobicContact CD1-CG2 4.1Å; F49-I52 HydrophobicContact CE1-CB 4.21Å; F49-I52 HydrophobicContact CE1-CD1 4.22Å; F49-I52 HydrophobicContact CE1-CG2 3.87Å; F49-L53 HydrophobicContact CB-CD1 4.15Å; F49-L53 HydrophobicContact CD1-CD1 4.42Å; F49-L53 HydrophobicContact CD1-CG 4.43Å; F49-L53 WeakPolarHBondContact O-CB 3.37Å; F49-L53 PolarHBondContact O-N 3.37Å; F49-L53 VanDerWaalsContact O-N 3.09Å
50G50.5Low53.7Low1 Ų175.8 Ų75.81%0.0137%0.37CS..Hα-helixtrans-69.5-45.9-165.600000112.3F48 G54 Y105F48-G50 PolarHBondContact O-N 3.46Å; G50-G54 PolarHBondContact O-N 2.96Å; G50-Y105 VanDerWaalsContact CA-OH 3.28Å; G50-Y105 WeakPolarHBondContact CA-OH 3.35Å; G50-Y105 WeakPolarHBondContact O-CD1 3.34Å; G50-Y105 WeakPolarHBondContact O-CE1 3.3Å
51G52.3Low54.7Low15 Ų1574.4 Ų74.416%0.15536%0.358CS..Hα-helixtrans-70.3-40.617900000113.5N25 G54 S55N25-G51 WeakPolarHBondContact OD1-CA 3.28Å; N25-G51 PolarHBondContact OD1-O 2.84Å; G51-G54 PolarHBondContact O-N 3.44Å; G51-S55 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact O-OG 2.95Å
52I58.1Low55.5Low36 Ų3667.5 Ų67.519%0.18533%0.326CS..Iπ-helixtrans-74.5-41.2-174.1-60.2149.9000111.5N25 F29 F49 G56 V57N25-I52 HydrophobicContact CB-CG1 4.09Å; N25-I52 PolarHBondContact OD1-N 3.07Å; F29-I52 HydrophobicContact CD2-CD1 4.38Å; F29-I52 HydrophobicContact CE1-CD1 4.42Å; F29-I52 HydrophobicContact CE2-CD1 3.16Å; F29-I52 HydrophobicContact CE2-CG1 4.03Å; F29-I52 HydrophobicContact CZ-CD1 3.18Å; F29-I52 HydrophobicContact CZ-CG1 4.45Å; F49-I52 HydrophobicContact CD1-CB 3.98Å; F49-I52 HydrophobicContact CD1-CD1 4.2Å; F49-I52 HydrophobicContact CD1-CG2 4.1Å; F49-I52 HydrophobicContact CE1-CB 4.21Å; F49-I52 HydrophobicContact CE1-CD1 4.22Å; F49-I52 HydrophobicContact CE1-CG2 3.87Å; I52-G56 CarbonylContact O-C 3.55Å; I52-G56 VanDerWaalsContact O-CA 3.26Å; I52-G56 WeakPolarHBondContact O-CA 3.26Å; I52-G56 PolarHBondContact O-N 2.88Å; I52-V57 PolarHBondContact O-N 2.86Å
53L60.9Low56.4Low88 Ų8863.8 Ų63.846%0.46131%0.308SS..Iπ-helixtrans-65.4-46.8172.2-95157.8000110.5F49 L58F49-L53 HydrophobicContact CB-CD1 4.15Å; F49-L53 HydrophobicContact CD1-CD1 4.42Å; F49-L53 HydrophobicContact CD1-CG 4.43Å; F49-L53 WeakPolarHBondContact O-CB 3.37Å; F49-L53 PolarHBondContact O-N 3.37Å; F49-L53 VanDerWaalsContact O-N 3.09Å; L53-L58 VanDerWaalsContact O-CB 3.31Å; L53-L58 WeakPolarHBondContact O-CB 3.3Å; L53-L58 WeakPolarHBondContact O-CG 3.42Å; L53-L58 PolarHBondContact O-N 3.26Å
54G62.2Low57.7Low0 Ų067.6 Ų67.60%033%0.325CS..Iπ-helixtrans-67.7-62-175.100000115.2G50 G51 G102G50-G54 PolarHBondContact O-N 2.96Å; G51-G54 PolarHBondContact O-N 3.44Å; G54-G102 CarbonylContact C-O 3.51Å; G54-G102 WeakPolarHBondContact CA-O 3.47Å; G54-G102 CarbonylContact O-C 3.58Å
55S60.1Low58.7Low3 Ų360.3 Ų60.32%0.02129%0.294CS..Iπ-helixtrans-94.8-16.3-173.462.90000114.3N25 G51 M59 S106N25-S55 PolarHBondContact ND2-OG 3.17Å; G51-S55 PolarHBondContact O-N 2.97Å; G51-S55 PolarHBondContact O-OG 2.95Å; S55-M59 WeakPolarHBondContact O-CB 3.24Å; S55-S106 WeakPolarHBondContact CB-OG 3.45Å; S55-S106 PolarHBondContact OG-OG 3.39Å
56G64.9Low59.7Low4 Ų456.2 Ų56.24%0.04128%0.275CS..Iπ-helixtrans-92.3-81.1175.300000111.8I52 M59 I60I52-G56 CarbonylContact O-C 3.55Å; I52-G56 VanDerWaalsContact O-CA 3.26Å; I52-G56 WeakPolarHBondContact O-CA 3.26Å; I52-G56 PolarHBondContact O-N 2.88Å; G56-M59 PolarHBondContact O-N 3.48Å; G56-I60 WeakPolarHBondContact O-CG1 3.49Å; G56-I60 PolarHBondContact O-N 3.42Å
57V65.4Low60.5Low64 Ų6455.8 Ų55.839%0.38827%0.273SS..Iπ-helixtrans-65.1-46.6-169.7179.60000112.4I52 M59 I60 F61I52-V57 PolarHBondContact O-N 2.86Å; V57-M59 PolarHBondContact O-N 2.89Å; V57-I60 PolarHBondContact O-N 3.34Å; V57-F61 HydrophobicContact CG1-CE2 4.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.12Å
58L65.4Low61.1Low59 Ų5946.3 Ų46.331%0.30925%0.245SC..Hα-helixtrans-68.9-18-179.3-72173000113.4L53 P62 V98L53-L58 VanDerWaalsContact O-CB 3.31Å; L53-L58 WeakPolarHBondContact O-CB 3.3Å; L53-L58 WeakPolarHBondContact O-CG 3.42Å; L53-L58 PolarHBondContact O-N 3.26Å; L58-P62 WeakPolarHBondContact O-CD 3.38Å; L58-P62 WeakPolarHBondContact O-CG 3.12Å; L58-V98 HydrophobicContact CD2-CG1 3.97Å
59M67.5Low61.5Low0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-92.3-18.9177.9-73.8-63.6-91.600114L14 S55 G56 V57 F61 P62 A63 Q170L14-M59 HydrophobicContact CD2-CE 3.65Å; S55-M59 WeakPolarHBondContact O-CB 3.24Å; G56-M59 PolarHBondContact O-N 3.48Å; V57-M59 PolarHBondContact O-N 2.89Å; M59-F61 VanDerWaalsContact C-N 3.33Å; M59-F61 PolarHBondContact O-N 3.44Å; M59-P62 WeakPolarHBondContact O-CD 3.41Å; M59-P62 HydrophobicContact SD-CG 4.42Å; M59-A63 VanDerWaalsContact O-CB 3.25Å; M59-A63 WeakPolarHBondContact O-CB 3.16Å; M59-A63 PolarHBondContact O-N 2.9Å; M59-A63 VanDerWaalsContact O-N 3.1Å; M59-Q170 HydrophobicContact CE-CB 3.67Å; M59-Q170 HydrophobicContact CE-CG 3.48Å; M59-Q170 VanDerWaalsContact CE-CG 3.48Å
60I69.5Low61.3Low86 Ų8643.5 Ų43.544%0.44124%0.235SC..Hα-helixtrans-62.2-41.5172.1-70.2168.4000110.6G56 V57 A63 L64G56-I60 WeakPolarHBondContact O-CG1 3.49Å; G56-I60 PolarHBondContact O-N 3.42Å; V57-I60 PolarHBondContact O-N 3.34Å; I60-A63 PolarHBondContact O-N 3.37Å; I60-L64 HydrophobicContact CG2-CD1 3.77Å; I60-L64 HydrophobicContact CG2-CG 4.27Å; I60-L64 WeakPolarHBondContact O-CB 3.45Å; I60-L64 VanDerWaalsContact O-CG 3.29Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 3.37Å
61F67.5Low60.9Low112 Ų11249.3 Ų49.349%0.49127%0.265SS..Hα-helixtrans-64.3-52.5-179.2-67.5-82000113.4V57 M59 A63 L64 V65 F95V57-F61 HydrophobicContact CG1-CE2 4.23Å; V57-F61 WeakPolarHBondContact O-CD2 3.12Å; M59-F61 VanDerWaalsContact C-N 3.33Å; M59-F61 PolarHBondContact O-N 3.44Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.95Å; F61-L64 PolarHBondContact O-N 3.41Å; F61-V65 VanDerWaalsContact O-CG2 3.29Å; F61-V65 WeakPolarHBondContact O-CG2 3.35Å; F61-V65 PolarHBondContact O-N 3.27Å; F61-F95 HydrophobicContact CB-CD1 4.02Å; F61-F95 HydrophobicContact CB-CE1 3.98Å
62P63.1Low60.3Low0 Ų053.7 Ų53.70%029%0.285CS..Hα-helixtrans-57.6-42.6172.4-20.327.5000112.8L58 M59 L64 V65 F66 F95L58-P62 WeakPolarHBondContact O-CD 3.38Å; L58-P62 WeakPolarHBondContact O-CG 3.12Å; M59-P62 WeakPolarHBondContact O-CD 3.41Å; M59-P62 HydrophobicContact SD-CG 4.42Å; P62-L64 PolarHBondContact O-N 2.94Å; P62-V65 PolarHBondContact O-N 2.94Å; P62-F66 HydrophobicContact CB-CD2 4.37Å; P62-F66 HydrophobicContact CB-CE2 3.9Å; P62-F66 HydrophobicContact CB-CZ 4.44Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 WeakPolarHBondContact O-CD2 3.22Å; P62-F66 WeakPolarHBondContact O-CG 3.38Å; P62-F66 PolarHBondContact O-N 3.12Å; P62-F95 WeakPolarHBondContact CG-O 3.33Å
63A66.6Low59.5Low15 Ų1559 Ų5912%0.12431%0.314CS..Hα-helixtrans-62.3-44.6-179.800000112.3M59 I60 F61 F66 L67M59-A63 VanDerWaalsContact O-CB 3.25Å; M59-A63 WeakPolarHBondContact O-CB 3.16Å; M59-A63 PolarHBondContact O-N 2.9Å; M59-A63 VanDerWaalsContact O-N 3.1Å; I60-A63 PolarHBondContact O-N 3.37Å; F61-A63 VanDerWaalsContact C-N 3.33Å; F61-A63 PolarHBondContact O-N 2.95Å; A63-F66 PolarHBondContact O-N 3.25Å; A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.35Å; A63-L67 PolarHBondContact O-N 3.12Å
64L66.6Low58.6Low112 Ų11260.4 Ų60.459%0.58633%0.33SS*.Hα-helixtrans-65.6-40.1176.3-72.8174.3000112.2I60 F61 P62 L67 G68I60-L64 HydrophobicContact CG2-CD1 3.77Å; I60-L64 HydrophobicContact CG2-CG 4.27Å; I60-L64 WeakPolarHBondContact O-CB 3.45Å; I60-L64 VanDerWaalsContact O-CG 3.29Å; I60-L64 WeakPolarHBondContact O-CG 3.36Å; I60-L64 PolarHBondContact O-N 3.37Å; F61-L64 PolarHBondContact O-N 3.41Å; P62-L64 PolarHBondContact O-N 2.94Å; L64-L67 PolarHBondContact O-N 3.42Å; L64-G68 PolarHBondContact O-N 2.88Å
65V65.6Low57.4Low36 Ų3666.5 Ų66.522%0.21837%0.371CS..Hα-helixtrans-66.4-43.9177.4171.30000110.8F61 P62 L67 G68 L69 F95F61-V65 VanDerWaalsContact O-CG2 3.29Å; F61-V65 WeakPolarHBondContact O-CG2 3.35Å; F61-V65 PolarHBondContact O-N 3.27Å; P62-V65 PolarHBondContact O-N 2.94Å; V65-L67 VanDerWaalsContact C-N 3.32Å; V65-L67 PolarHBondContact O-N 3.41Å; V65-G68 PolarHBondContact O-N 2.91Å; V65-L69 WeakPolarHBondContact O-CG 3.32Å; V65-L69 PolarHBondContact O-N 3.11Å; V65-F95 HydrophobicContact CB-CD2 4.3Å; V65-F95 HydrophobicContact CB-CG 4.5Å; V65-F95 HydrophobicContact CG1-CD2 4.09Å; V65-F95 HydrophobicContact CG2-CD1 4.43Å; V65-F95 HydrophobicContact CG2-CD2 3.66Å; V65-F95 HydrophobicContact CG2-CE2 3.82Å; V65-F95 HydrophobicContact CG2-CG 4Å; V65-F95 HydrophobicContact CG2-CZ 4.28Å
66F62.8Low56.2Low16 Ų1669.4 Ų69.47%0.0740%0.402CS..Hα-helixtrans-64.6-35.5175.3-63.5-37.7000112.6L14 P62 A63 L69 K70 S92 A96 Q177L14-F66 HydrophobicContact CD1-CE2 4.48Å; L14-F66 HydrophobicContact CD2-CD2 4.28Å; L14-F66 HydrophobicContact CD2-CE2 3.99Å; P62-F66 HydrophobicContact CB-CD2 4.37Å; P62-F66 HydrophobicContact CB-CE2 3.9Å; P62-F66 HydrophobicContact CB-CZ 4.44Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 WeakPolarHBondContact O-CD2 3.22Å; P62-F66 WeakPolarHBondContact O-CG 3.38Å; P62-F66 PolarHBondContact O-N 3.12Å; A63-F66 PolarHBondContact O-N 3.25Å; F66-L69 HydrophobicContact CD1-CD1 4.3Å; F66-L69 PolarHBondContact O-N 3.06Å; F66-K70 PolarHBondContact O-N 3.3Å; F66-S92 VanDerWaalsContact CE1-OG 3.29Å; F66-S92 WeakPolarHBondContact CE1-OG 3.4Å; F66-A96 HydrophobicContact CZ-CB 4.11Å; F66-Q177 HydrophobicContact CE1-CG 3.69Å; F66-Q177 HydrophobicContact CZ-CG 3.76Å
67L60.4Low54.6Low69 Ų6973.9 Ų73.936%0.36143%0.431SS..Hα-helixtrans-72.4-34.1174.5-164.4146.5000111.9I15 A63 L64 V65 L69 K70I15-L67 HydrophobicContact CD1-CD1 3.87Å; A63-L67 VanDerWaalsContact O-CB 3.32Å; A63-L67 WeakPolarHBondContact O-CB 3.35Å; A63-L67 PolarHBondContact O-N 3.12Å; L64-L67 PolarHBondContact O-N 3.42Å; V65-L67 VanDerWaalsContact C-N 3.32Å; V65-L67 PolarHBondContact O-N 3.41Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-K70 WeakPolarHBondContact O-CA 3.41Å; L67-K70 WeakPolarHBondContact O-CB 3.38Å; L67-K70 PolarHBondContact O-N 3.09Å
68G56.4Low53.3Low26 Ų2676.8 Ų76.827%0.26845%0.453SS..Hα-helixtrans-60.7-42170.700000111.8L64 V65 K70 N71 N72L64-G68 PolarHBondContact O-N 2.88Å; V65-G68 PolarHBondContact O-N 2.91Å; G68-K70 PolarHBondContact O-N 3.19Å; G68-K70 VanDerWaalsContact O-N 3.11Å; G68-N71 PolarHBondContact O-N 2.87Å; G68-N71 VanDerWaalsContact O-N 3.12Å; G68-N72 PolarHBondContact O-N 3.28Å; G68-N72 PolarHBondContact O-ND2 3.09Å; G68-N72 VanDerWaalsContact O-ND2 3.14Å; G68-N72 PolarHBondContact O-OD1 3.11Å
69L54.5Low52Low57 Ų5778.4 Ų78.430%0.29848%0.484SS..Hα-helixtrans-61.5-18.9172.2-63.2171.5000113.4V65 F66 L67 A88V65-L69 WeakPolarHBondContact O-CG 3.32Å; V65-L69 PolarHBondContact O-N 3.11Å; F66-L69 HydrophobicContact CD1-CD1 4.3Å; F66-L69 PolarHBondContact O-N 3.06Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L69-A88 HydrophobicContact CD2-CB 3.96Å
70K47.6Very low50.6Low115 Ų11583.6 Ų83.650%0.551%0.512SS..Hα-helixtrans-76.1-31.8175.8-159.7-176.278.3160.50113F66 L67 G68F66-K70 PolarHBondContact O-N 3.3Å; L67-K70 WeakPolarHBondContact O-CA 3.41Å; L67-K70 WeakPolarHBondContact O-CB 3.38Å; L67-K70 PolarHBondContact O-N 3.09Å; G68-K70 PolarHBondContact O-N 3.19Å; G68-K70 VanDerWaalsContact O-N 3.11Å
71N41.7Very low49.5Very low122 Ų12287.9 Ų87.965%0.65253%0.527SS*.Hα-helixtrans-100.1-7.6-175.3-90.24.3000113.9G68 D73G68-N71 PolarHBondContact O-N 2.87Å; G68-N71 VanDerWaalsContact O-N 3.12Å; N71-D73 PolarHBondContact O-N 2.97Å; N71-D73 VanDerWaalsContact O-N 3.09Å
72N40Very low48.8Very low108 Ų10884.5 Ų84.558%0.57852%0.524SS*.  trans-86.182.7179.3-56.3-15.7000109.3G68 C74G68-N72 PolarHBondContact O-N 3.28Å; G68-N72 PolarHBondContact O-ND2 3.09Å; G68-N72 VanDerWaalsContact O-ND2 3.14Å; G68-N72 PolarHBondContact O-OD1 3.11Å; N72-C74 PolarHBondContact O-N 3.43Å
73D40.6Very low47.9Very low147 Ų14788.5 Ų88.579%0.78655%0.551SS**  trans-54.1106.3156.6-80.4-43.1000108.1N71 C75N71-D73 PolarHBondContact O-N 2.97Å; N71-D73 VanDerWaalsContact O-N 3.09Å; D73-C75 WeakPolarHBondContact O-CA 3.3Å; D73-C75 VanDerWaalsContact O-CB 3.25Å; D73-C75 WeakPolarHBondContact O-CB 3.31Å; D73-C75 PolarHBondContact O-N 3.26Å
74C42Very low47.2Very low118 Ų11888.6 Ų88.680%0.79755%0.553SS**SBendtrans22.226.3154-72.60000120.9N72N72-C74 PolarHBondContact O-N 3.43Å
75C37.5Very low46.8Very low128 Ų12889.9 Ų89.987%0.86555%0.554SS**  trans-155.862.8-161.8-149.80000110.6D73D73-C75 WeakPolarHBondContact O-CA 3.3Å; D73-C75 VanDerWaalsContact O-CB 3.25Å; D73-C75 WeakPolarHBondContact O-CB 3.31Å; D73-C75 PolarHBondContact O-N 3.26Å
76G34.5Very low46.5Very low64 Ų6493.2 Ų93.266%0.6656%0.563SS**  trans-157.188.2176.700000114.1
77C31.6Very low46.5Very low98 Ų9899.5 Ų99.566%0.66259%0.59SS**SBendtrans148.2106.1137.3-142.50000108.7
78C37.8Very low46.7Very low124 Ų12497.8 Ų97.884%0.83859%0.586SS**THydrogen-bonded Turntrans5363.5177.5-65.40000116.5N80C78-N80 PolarHBondContact O-N 2.91Å
79G37.5Very low47.2Very low94 Ų9497.8 Ų97.897%0.96958%0.579SS**THydrogen-bonded Turntrans58.5-5.5156.800000119
80N37.7Very low48Very low109 Ų109100.4 Ų100.458%0.58359%0.589SS**  trans-120.5105.1-174.6-172.729000109.6C78 G82 C83C78-N80 PolarHBondContact O-N 2.91Å; N80-G82 PolarHBondContact O-N 2.89Å; N80-C83 PolarHBondContact O-N 2.81Å
81K48.2Very low49.1Very low176 Ų17696.7 Ų96.777%0.76558%0.575SS**Hα-helixtrans-56.3-21.6-174.1-66.5178.4178.2176.10114
82G50.9Low50.7Low40 Ų4090.9 Ų90.941%0.41254%0.544SS..Hα-helixtrans-78.5-37.6-179.500000115.3N80 R86N80-G82 PolarHBondContact O-N 2.89Å; G82-R86 PolarHBondContact O-N 3.25Å
83C45Very low52.5Low85 Ų8586.3 Ų86.357%0.57452%0.52SS*.Hα-helixtrans-76.9-45.7-172.5-166.70000112.3N80 K85 R86 F87N80-C83 PolarHBondContact O-N 2.81Å; C83-K85 VanDerWaalsContact C-N 3.27Å; C83-K85 PolarHBondContact O-N 3Å; C83-R86 PolarHBondContact O-N 3.39Å; C83-F87 PolarHBondContact O-N 3.45Å
84G52.6Low54.5Low17 Ų1783.1 Ų83.118%0.17550%0.502CS..Hα-helixtrans-62.4-32.8176.800000113.2A88G84-A88 VanDerWaalsContact O-CB 3.27Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.86Å
85K57.1Low56.4Low139 Ų13980.4 Ų80.460%0.60448%0.477SS*.Hα-helixtrans-68.4-40.6178.6-168.5172.7-177.6177.30112.4C83 M89C83-K85 VanDerWaalsContact C-N 3.27Å; C83-K85 PolarHBondContact O-N 3Å; K85-M89 WeakPolarHBondContact O-CB 3.38Å; K85-M89 WeakPolarHBondContact O-CG 3.46Å; K85-M89 PolarHBondContact O-N 3.24Å; K85-M89 VanDerWaalsContact O-N 3.15Å
86R60.5Low58.5Low106 Ų10674.3 Ų74.340%0.444%0.436SS..Hα-helixtrans-69.2-42.9176.7-71.7-170.9-176.7177.76.9112G82 C83 M89 F90 G188 D189G82-R86 PolarHBondContact O-N 3.25Å; C83-R86 PolarHBondContact O-N 3.39Å; R86-M89 PolarHBondContact O-N 2.97Å; R86-F90 WeakPolarHBondContact O-CB 3.35Å; R86-F90 PolarHBondContact O-N 2.72Å; R86-G188 PolarHBondContact NH2-O 2.64Å; R86-D189 IonicContact CZ-OD1 3.99Å; R86-D189 IonicContact CZ-OD2 3.47Å; R86-D189 IonicContact NH1-OD2 3.27Å; R86-D189 PolarHBondContact NH1-OD2 3.27Å; R86-D189 IonicContact NH2-OD1 2.83Å; R86-D189 PolarHBondContact NH2-OD1 3.36Å; R86-D189 IonicContact NH2-OD2 2.78Å; R86-D189 PolarHBondContact NH2-OD2 2.96Å
87F62.9Low60.9Low148 Ų14874.2 Ų74.265%0.64942%0.422SS*.Hα-helixtrans-63.2-46.2178.2-171.8-100.9000111.8C83 M89 F90 T91C83-F87 PolarHBondContact O-N 3.45Å; F87-M89 PolarHBondContact O-N 3.06Å; F87-F90 PolarHBondContact O-N 3.08Å; F87-T91 WeakPolarHBondContact O-CB 3.36Å; F87-T91 PolarHBondContact O-N 3.31Å; F87-T91 PolarHBondContact O-OG1 3.42Å
88A64.4Low63.5Low32 Ų3272 Ų7226%0.26441%0.406SS..Hα-helixtrans-61.6-40.117700000113L69 G84 S92L69-A88 HydrophobicContact CD2-CB 3.96Å; G84-A88 VanDerWaalsContact O-CB 3.27Å; G84-A88 WeakPolarHBondContact O-CB 3.45Å; G84-A88 PolarHBondContact O-N 2.86Å; A88-S92 VanDerWaalsContact O-CB 3.28Å; A88-S92 WeakPolarHBondContact O-CB 3.07Å; A88-S92 PolarHBondContact O-N 3.1Å
89M67.3Low65.7Low26 Ų2666.1 Ų66.113%0.12837%0.366CS..Hα-helixtrans-70-38.1177.2-68.3-69.7-107.400112.4K85 R86 F87 S92 T93 T185K85-M89 WeakPolarHBondContact O-CB 3.38Å; K85-M89 WeakPolarHBondContact O-CG 3.46Å; K85-M89 PolarHBondContact O-N 3.24Å; K85-M89 VanDerWaalsContact O-N 3.15Å; R86-M89 PolarHBondContact O-N 2.97Å; F87-M89 PolarHBondContact O-N 3.06Å; M89-S92 PolarHBondContact O-N 2.82Å; M89-T93 PolarHBondContact O-N 3Å; M89-T93 PolarHBondContact O-OG1 3.39Å; M89-T185 HydrophobicContact CB-CG2 4.42Å
90F70.6Confident68.1Low113 Ų11365.4 Ų65.450%0.49634%0.337SS..Hα-helixtrans-66-48.2175.8-179.3-107.1000111.6R86 F87 S92 T93 I94 T185R86-F90 WeakPolarHBondContact O-CB 3.35Å; R86-F90 PolarHBondContact O-N 2.72Å; F87-F90 PolarHBondContact O-N 3.08Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 3.46Å; F90-T93 WeakPolarHBondContact O-CB 3.46Å; F90-T93 PolarHBondContact O-N 3.28Å; F90-I94 HydrophobicContact CD1-CD1 3.84Å; F90-I94 HydrophobicContact CE1-CD1 3.34Å; F90-I94 HydrophobicContact CE1-CG1 4.32Å; F90-I94 HydrophobicContact CE2-CD1 4.46Å; F90-I94 HydrophobicContact CZ-CD1 3.7Å; F90-I94 HydrophobicContact CZ-CG1 4.33Å; F90-I94 PolarHBondContact O-N 3.02Å; F90-T185 HydrophobicContact CB-CG2 4.24Å
91T71.7Confident70.4Confident36 Ų3665.6 Ų65.622%0.22134%0.337CS..Hα-helixtrans-57.5-45.1174.2-67.40000111.4F87 T93 I94 F95F87-T91 WeakPolarHBondContact O-CB 3.36Å; F87-T91 PolarHBondContact O-N 3.31Å; F87-T91 PolarHBondContact O-OG1 3.42Å; T91-T93 VanDerWaalsContact C-N 3.25Å; T91-T93 PolarHBondContact O-N 3.48Å; T91-I94 PolarHBondContact O-N 3.24Å; T91-F95 HydrophobicContact CG2-CD2 3.67Å; T91-F95 HydrophobicContact CG2-CE2 3.57Å; T91-F95 WeakPolarHBondContact O-CD2 3.36Å; T91-F95 PolarHBondContact O-N 3.35Å; T91-F95 VanDerWaalsContact O-N 3.08Å
92S73.3Confident72.1Confident0 Ų057.3 Ų57.30%030%0.301CS..Hα-helixtrans-57.8-37.2175.1-177.80000113.2F66 A88 M89 F90 A96 Q177F66-S92 VanDerWaalsContact CE1-OG 3.29Å; F66-S92 WeakPolarHBondContact CE1-OG 3.4Å; A88-S92 VanDerWaalsContact O-CB 3.28Å; A88-S92 WeakPolarHBondContact O-CB 3.07Å; A88-S92 PolarHBondContact O-N 3.1Å; M89-S92 PolarHBondContact O-N 2.82Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-S92 PolarHBondContact O-N 3.46Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 2.85Å; S92-Q177 PolarHBondContact OG-NE2 3.47Å; S92-Q177 VanDerWaalsContact OG-NE2 3.08Å
93T79.1Confident73.7Confident13 Ų1355.4 Ų55.48%0.0828%0.281CS..Hα-helixtrans-68.9-44.6178.6-54.10000111.1M89 F90 T91 F95 A96 V97 V178 G181 L182M89-T93 PolarHBondContact O-N 3Å; M89-T93 PolarHBondContact O-OG1 3.39Å; F90-T93 WeakPolarHBondContact O-CB 3.46Å; F90-T93 PolarHBondContact O-N 3.28Å; T91-T93 VanDerWaalsContact C-N 3.25Å; T91-T93 PolarHBondContact O-N 3.48Å; T93-F95 VanDerWaalsContact C-N 3.35Å; T93-F95 PolarHBondContact O-N 2.87Å; T93-A96 WeakPolarHBondContact O-CB 3.46Å; T93-A96 PolarHBondContact O-N 2.89Å; T93-V97 WeakPolarHBondContact O-CG2 3.36Å; T93-V97 PolarHBondContact O-N 3.37Å; T93-V178 HydrophobicContact CG2-CG1 4.45Å; T93-G181 VanDerWaalsContact OG1-CA 3.3Å; T93-G181 WeakPolarHBondContact OG1-CA 3.3Å; T93-L182 HydrophobicContact CG2-CG 4.4Å
94I82.1Confident75.6Confident79 Ų7951.9 Ų51.941%0.40526%0.26SS..Hα-helixtrans-58.5-48.8176.5-68.4170.7000110.4F90 T91 A96 V97 V98F90-I94 HydrophobicContact CD1-CD1 3.84Å; F90-I94 HydrophobicContact CE1-CD1 3.34Å; F90-I94 HydrophobicContact CE1-CG1 4.32Å; F90-I94 HydrophobicContact CE2-CD1 4.46Å; F90-I94 HydrophobicContact CZ-CD1 3.7Å; F90-I94 HydrophobicContact CZ-CG1 4.33Å; F90-I94 PolarHBondContact O-N 3.02Å; T91-I94 PolarHBondContact O-N 3.24Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 2.81Å; I94-V97 PolarHBondContact O-N 2.77Å; I94-V98 WeakPolarHBondContact O-CG2 3.33Å; I94-V98 PolarHBondContact O-N 2.75Å
95F81.5Confident77.1Confident61 Ų6155.7 Ų55.727%0.26827%0.27SS..Hα-helixtrans-65.9-33.4178.4-76.9-72000112.4F61 P62 V65 T91 T93 V98 G99F61-F95 HydrophobicContact CB-CD1 4.02Å; F61-F95 HydrophobicContact CB-CE1 3.98Å; P62-F95 WeakPolarHBondContact CG-O 3.33Å; V65-F95 HydrophobicContact CB-CD2 4.3Å; V65-F95 HydrophobicContact CB-CG 4.5Å; V65-F95 HydrophobicContact CG1-CD2 4.09Å; V65-F95 HydrophobicContact CG2-CD1 4.43Å; V65-F95 HydrophobicContact CG2-CD2 3.66Å; V65-F95 HydrophobicContact CG2-CE2 3.82Å; V65-F95 HydrophobicContact CG2-CG 4Å; V65-F95 HydrophobicContact CG2-CZ 4.28Å; T91-F95 HydrophobicContact CG2-CD2 3.67Å; T91-F95 HydrophobicContact CG2-CE2 3.57Å; T91-F95 WeakPolarHBondContact O-CD2 3.36Å; T91-F95 PolarHBondContact O-N 3.35Å; T91-F95 VanDerWaalsContact O-N 3.08Å; T93-F95 VanDerWaalsContact C-N 3.35Å; T93-F95 PolarHBondContact O-N 2.87Å; F95-V98 PolarHBondContact O-N 3.42Å; F95-G99 PolarHBondContact O-N 3.42Å
96A82.1Confident78.3Confident0 Ų049.1 Ų49.10%024%0.241CC..Hα-helixtrans-64.2-38.6172.700000112.5F66 S92 T93 I94 G99 F100 Q177 V178F66-A96 HydrophobicContact CZ-CB 4.11Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 2.85Å; T93-A96 WeakPolarHBondContact O-CB 3.46Å; T93-A96 PolarHBondContact O-N 2.89Å; I94-A96 VanDerWaalsContact C-N 3.31Å; I94-A96 PolarHBondContact O-N 2.81Å; A96-G99 PolarHBondContact O-N 3.38Å; A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.7Å; A96-Q177 HydrophobicContact CB-CB 4.08Å; A96-Q177 HydrophobicContact CB-CG 3.8Å; A96-V178 HydrophobicContact CB-CG2 3.84Å
97V85.8Confident79.5Confident62 Ų6247.3 Ų47.338%0.37624%0.236SC..Hα-helixtrans-64.6-45.2173.7174.10000111T93 I94 G99 F100 L101 V178T93-V97 WeakPolarHBondContact O-CG2 3.36Å; T93-V97 PolarHBondContact O-N 3.37Å; I94-V97 PolarHBondContact O-N 2.77Å; V97-G99 VanDerWaalsContact C-N 3.31Å; V97-G99 PolarHBondContact O-N 3.15Å; V97-F100 WeakPolarHBondContact O-CB 3.41Å; V97-F100 PolarHBondContact O-N 2.94Å; V97-L101 HydrophobicContact CG1-CD1 4.32Å; V97-L101 WeakPolarHBondContact O-CG 3.29Å; V97-L101 PolarHBondContact O-N 3.29Å; V97-V178 HydrophobicContact CG2-CG1 4.36Å; V97-V178 HydrophobicContact CG2-CG2 3.65Å
98V85.6Confident80.6Confident53 Ų5345.1 Ų45.132%0.32123%0.23SC..Hα-helixtrans-60-43.9175.7174.40000110.8L58 I94 F95 F100 L101 G102L58-V98 HydrophobicContact CD2-CG1 3.97Å; I94-V98 WeakPolarHBondContact O-CG2 3.33Å; I94-V98 PolarHBondContact O-N 2.75Å; F95-V98 PolarHBondContact O-N 3.42Å; V98-F100 PolarHBondContact O-N 3.38Å; V98-L101 PolarHBondContact O-N 3.2Å; V98-G102 PolarHBondContact O-N 3.45Å
99G83.2Confident81.5Confident0 Ų044.4 Ų44.40%022%0.222CC..Hα-helixtrans-62.7-38.517500000113F95 A96 V97 G102 A103F95-G99 PolarHBondContact O-N 3.42Å; A96-G99 PolarHBondContact O-N 3.38Å; V97-G99 VanDerWaalsContact C-N 3.31Å; V97-G99 PolarHBondContact O-N 3.15Å; G99-G102 PolarHBondContact O-N 2.93Å; G99-A103 VanDerWaalsContact O-CB 3.25Å; G99-A103 WeakPolarHBondContact O-CB 3.42Å; G99-A103 PolarHBondContact O-N 3.23Å
100F87.8Confident82.3Confident79 Ų7943.3 Ų43.335%0.34622%0.217SC..Hα-helixtrans-62.1-46.3174.2-177.7-90.4000111.8A96 V97 V98 A103 G104 M171 C174 A175A96-F100 WeakPolarHBondContact O-CB 3.31Å; A96-F100 PolarHBondContact O-N 2.7Å; V97-F100 WeakPolarHBondContact O-CB 3.41Å; V97-F100 PolarHBondContact O-N 2.94Å; V98-F100 PolarHBondContact O-N 3.38Å; F100-A103 PolarHBondContact O-N 3Å; F100-G104 PolarHBondContact O-N 2.91Å; F100-M171 HydrophobicContact CD2-CB 4.04Å; F100-M171 HydrophobicContact CD2-CG 4.23Å; F100-M171 VanDerWaalsContact CD2-O 3.3Å; F100-M171 WeakPolarHBondContact CD2-O 3.48Å; F100-M171 HydrophobicContact CE2-CB 3.82Å; F100-M171 HydrophobicContact CE2-CG 4.11Å; F100-C174 HydrophobicContact CB-CB 3.93Å; F100-C174 HydrophobicContact CD2-CB 4.36Å; F100-A175 HydrophobicContact CD2-CB 4.29Å; F100-A175 HydrophobicContact CE2-CB 4.17Å
101L87.4Confident83Confident113 Ų11339.2 Ų39.259%0.59221%0.205SC*.Hα-helixtrans-64.6-42.2177.4-66.4174.6000111.7V97 V98 G104 Y105V97-L101 HydrophobicContact CG1-CD1 4.32Å; V97-L101 WeakPolarHBondContact O-CG 3.29Å; V97-L101 PolarHBondContact O-N 3.29Å; V98-L101 PolarHBondContact O-N 3.2Å; L101-G104 PolarHBondContact O-N 2.88Å; L101-Y105 WeakPolarHBondContact O-CB 3.31Å; L101-Y105 PolarHBondContact O-N 3.26Å
102G83.2Confident83.6Confident1 Ų142.3 Ų42.31%0.0122%0.219CC..Hα-helixtrans-63-46.617600000112.9G54 V98 G99 Y105 S106G54-G102 CarbonylContact C-O 3.51Å; G54-G102 WeakPolarHBondContact CA-O 3.47Å; G54-G102 CarbonylContact O-C 3.58Å; V98-G102 PolarHBondContact O-N 3.45Å; G99-G102 PolarHBondContact O-N 2.93Å; G102-Y105 PolarHBondContact O-N 3.48Å; G102-S106 PolarHBondContact O-N 3.47Å
103A84.6Confident84Confident0 Ų044 Ų440%023%0.231CC..Hα-helixtrans-65.1-40.9176.500000112.2G99 F100 S106 F107 Q170 M171G99-A103 VanDerWaalsContact O-CB 3.25Å; G99-A103 WeakPolarHBondContact O-CB 3.42Å; G99-A103 PolarHBondContact O-N 3.23Å; F100-A103 PolarHBondContact O-N 3Å; A103-S106 PolarHBondContact O-N 3.17Å; A103-F107 WeakPolarHBondContact O-CB 3.25Å; A103-F107 PolarHBondContact O-N 3.35Å; A103-Q170 HydrophobicContact CB-CB 3.86Å; A103-M171 HydrophobicContact CB-CG 3.86Å
104G85.8Confident84.1Confident12 Ų1244.3 Ų44.312%0.12423%0.232CC..Hα-helixtrans-64.8-40.2176.600000113.1F100 L101 F107 I108 M171F100-G104 PolarHBondContact O-N 2.91Å; L101-G104 PolarHBondContact O-N 2.88Å; G104-F107 WeakPolarHBondContact O-CB 3.47Å; G104-F107 PolarHBondContact O-N 3.3Å; G104-I108 WeakPolarHBondContact O-CG1 3.41Å; G104-I108 PolarHBondContact O-N 2.98Å; G104-M171 WeakPolarHBondContact CA-SD 3.45Å
105Y83.4Confident84Confident97 Ų9746.1 Ų46.138%0.3824%0.242SC..Hα-helixtrans-62-46.3172.9177-114.5000111.3G50 L101 G102 F107 I108 V109G50-Y105 VanDerWaalsContact CA-OH 3.28Å; G50-Y105 WeakPolarHBondContact CA-OH 3.35Å; G50-Y105 WeakPolarHBondContact O-CD1 3.34Å; G50-Y105 WeakPolarHBondContact O-CE1 3.3Å; L101-Y105 WeakPolarHBondContact O-CB 3.31Å; L101-Y105 PolarHBondContact O-N 3.26Å; G102-Y105 PolarHBondContact O-N 3.48Å; Y105-F107 VanDerWaalsContact C-N 3.3Å; Y105-F107 PolarHBondContact O-N 2.87Å; Y105-I108 PolarHBondContact O-N 3.33Å; Y105-V109 HydrophobicContact CD2-CG2 4.12Å; Y105-V109 HydrophobicContact CE1-CG2 4.37Å; Y105-V109 HydrophobicContact CE2-CG2 3.74Å; Y105-V109 VanDerWaalsContact O-CG2 3.3Å; Y105-V109 WeakPolarHBondContact O-CG2 3.47Å; Y105-V109 PolarHBondContact O-N 3Å
106S81.8Confident83.9Confident0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-60.2-38.7175.3-168.50000112.5S55 G102 A103 S110S55-S106 WeakPolarHBondContact CB-OG 3.45Å; S55-S106 PolarHBondContact OG-OG 3.39Å; G102-S106 PolarHBondContact O-N 3.47Å; A103-S106 PolarHBondContact O-N 3.17Å; S106-S110 WeakPolarHBondContact O-CB 3.25Å; S106-S110 PolarHBondContact O-N 3.29Å; S106-S110 PolarHBondContact O-OG 3.27Å
107F86.4Confident83.5Confident69 Ų6947.6 Ų47.630%0.30325%0.251SS..Hα-helixtrans-62.8-49.6177.3-178.7-88.6000111.7A103 G104 Y105 S110 A111 L164 M171A103-F107 WeakPolarHBondContact O-CB 3.25Å; A103-F107 PolarHBondContact O-N 3.35Å; G104-F107 WeakPolarHBondContact O-CB 3.47Å; G104-F107 PolarHBondContact O-N 3.3Å; Y105-F107 VanDerWaalsContact C-N 3.3Å; Y105-F107 PolarHBondContact O-N 2.87Å; F107-S110 PolarHBondContact O-N 3.2Å; F107-A111 PolarHBondContact O-N 3.3Å; F107-L164 HydrophobicContact CD2-CD2 4.19Å; F107-L164 HydrophobicContact CD2-CG 3.93Å; F107-L164 WeakPolarHBondContact CD2-O 3.35Å; F107-L164 HydrophobicContact CE2-CD2 3.51Å; F107-L164 HydrophobicContact CE2-CG 3.7Å; F107-L164 HydrophobicContact CZ-CD2 4.1Å; F107-L164 HydrophobicContact CZ-CG 4.29Å; F107-M171 HydrophobicContact CB-CE 3.96Å; F107-M171 HydrophobicContact CD1-CE 4.17Å; F107-M171 HydrophobicContact CD2-CE 3.76Å; F107-M171 HydrophobicContact CE2-CE 4.29Å; F107-M171 HydrophobicContact CG-CE 3.69Å
108I86.1Confident83.1Confident101 Ų10145.6 Ų45.652%0.51824%0.239SC..Hα-helixtrans-63-47-180-67.1166.3000110.5G104 Y105 S110 A111 I112G104-I108 WeakPolarHBondContact O-CG1 3.41Å; G104-I108 PolarHBondContact O-N 2.98Å; Y105-I108 PolarHBondContact O-N 3.33Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.24Å; I108-A111 PolarHBondContact O-N 3.23Å; I108-I112 HydrophobicContact CG2-CD1 3.75Å; I108-I112 HydrophobicContact CG2-CG1 4.44Å; I108-I112 WeakPolarHBondContact O-CG1 3.44Å; I108-I112 PolarHBondContact O-N 3.46Å
109V83.3Confident82.5Confident17 Ų1746.6 Ų46.610%0.10324%0.239CC..Hα-helixtrans-60.7-45.1178.71730000110.6F48 Y105 A111 I112 S113F48-V109 HydrophobicContact CD1-CG1 4.33Å; F48-V109 HydrophobicContact CE1-CG1 4.12Å; F48-V109 HydrophobicContact CE1-CG2 3.87Å; Y105-V109 HydrophobicContact CD2-CG2 4.12Å; Y105-V109 HydrophobicContact CE1-CG2 4.37Å; Y105-V109 HydrophobicContact CE2-CG2 3.74Å; Y105-V109 VanDerWaalsContact O-CG2 3.3Å; Y105-V109 WeakPolarHBondContact O-CG2 3.47Å; Y105-V109 PolarHBondContact O-N 3Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.94Å; V109-I112 PolarHBondContact O-N 2.99Å; V109-S113 WeakPolarHBondContact O-CB 3.42Å; V109-S113 PolarHBondContact O-N 3.46Å; V109-S113 PolarHBondContact O-OG 3.36Å; V109-S113 VanDerWaalsContact O-OG 3.06Å
110S84.1Confident82.1Confident3 Ų346.6 Ų46.62%0.02124%0.239CC..Hα-helixtrans-60.5-41.8177.6-57.40000112.1S106 F107 I108 S113 I114S106-S110 WeakPolarHBondContact O-CB 3.25Å; S106-S110 PolarHBondContact O-N 3.29Å; S106-S110 PolarHBondContact O-OG 3.27Å; F107-S110 PolarHBondContact O-N 3.2Å; I108-S110 VanDerWaalsContact C-N 3.34Å; I108-S110 PolarHBondContact O-N 3.24Å; S110-S113 PolarHBondContact O-N 3.25Å; S110-I114 VanDerWaalsContact O-CG1 3.24Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.42Å
111A85.4Confident81.5Confident28 Ų2844.3 Ų44.323%0.23123%0.23CC..Hα-helixtrans-65.6-40177.400000112.8F107 I108 V109 N115 L164F107-A111 PolarHBondContact O-N 3.3Å; I108-A111 PolarHBondContact O-N 3.23Å; V109-A111 VanDerWaalsContact C-N 3.33Å; V109-A111 PolarHBondContact O-N 2.94Å; A111-N115 PolarHBondContact O-N 3.26Å; A111-N115 VanDerWaalsContact O-N 3.09Å; A111-N115 PolarHBondContact O-ND2 3.23Å; A111-N115 VanDerWaalsContact O-ND2 3.11Å; A111-L164 HydrophobicContact CB-CD1 4.01Å
112I83.8Confident80.9Confident101 Ų10141.2 Ų41.252%0.51821%0.213SC..Hα-helixtrans-67.2-43.9175.8-66.6169.2000110.4I108 V109 I114 N115 K116I108-I112 HydrophobicContact CG2-CD1 3.75Å; I108-I112 HydrophobicContact CG2-CG1 4.44Å; I108-I112 WeakPolarHBondContact O-CG1 3.44Å; I108-I112 PolarHBondContact O-N 3.46Å; V109-I112 PolarHBondContact O-N 2.99Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.19Å; I112-N115 PolarHBondContact O-N 3.28Å; I112-K116 WeakPolarHBondContact O-CB 3.11Å; I112-K116 PolarHBondContact O-N 2.86Å
113S80.8Confident80.3Confident35 Ų3545.1 Ų45.125%0.24525%0.245CC..Hα-helixtrans-62.3-38.1177.9-65.30000112.4V109 S110 G117V109-S113 WeakPolarHBondContact O-CB 3.42Å; V109-S113 PolarHBondContact O-N 3.46Å; V109-S113 PolarHBondContact O-OG 3.36Å; V109-S113 VanDerWaalsContact O-OG 3.06Å; S110-S113 PolarHBondContact O-N 3.25Å; S113-G117 PolarHBondContact O-N 3.06Å
114I81.9Confident79.8Confident20 Ų2051.3 Ų51.310%0.10328%0.278CS..Hα-helixtrans-64.9-44.8172.9-69.1165.2000110.5S110 I112 K116 Y136 L137 L157 F160 L164S110-I114 VanDerWaalsContact O-CG1 3.24Å; S110-I114 WeakPolarHBondContact O-CG1 3.38Å; S110-I114 PolarHBondContact O-N 3.42Å; I112-I114 VanDerWaalsContact C-N 3.32Å; I112-I114 PolarHBondContact O-N 3.19Å; I114-K116 PolarHBondContact O-N 3.49Å; I114-Y136 VanDerWaalsContact O-CE1 3.3Å; I114-Y136 WeakPolarHBondContact O-CE1 3.26Å; I114-Y136 VanDerWaalsContact O-CZ 3.29Å; I114-Y136 PolarHBondContact O-OH 3.1Å; I114-L137 HydrophobicContact CG2-CD1 4.09Å; I114-L137 HydrophobicContact CG2-CD2 4.15Å; I114-L157 HydrophobicContact CG1-CD1 4.23Å; I114-L157 HydrophobicContact CG2-CD1 3.81Å; I114-F160 HydrophobicContact CD1-CB 3.99Å; I114-F160 HydrophobicContact CG1-CB 3.68Å; I114-L164 HydrophobicContact CD1-CD1 3.96Å
115N80.8Confident79.3Confident116 Ų11655.5 Ų55.562%0.6231%0.305SS*.Hα-helixtrans-68.6-36.1179.5-78.5-50.2000113.1A111 I112A111-N115 PolarHBondContact O-N 3.26Å; A111-N115 VanDerWaalsContact O-N 3.09Å; A111-N115 PolarHBondContact O-ND2 3.23Å; A111-N115 VanDerWaalsContact O-ND2 3.11Å; I112-N115 PolarHBondContact O-N 3.28Å
116K78.3Confident78.9Confident85 Ų8554 Ų5437%0.3731%0.307SS..Hα-helixtrans-77.4-29.5-178.7-168.6166.3-179.3173.10113.1I112 I114 Y129I112-K116 WeakPolarHBondContact O-CB 3.11Å; I112-K116 PolarHBondContact O-N 2.86Å; I114-K116 PolarHBondContact O-N 3.49Å; K116-Y129 HydrophobicContact CD-CE1 4.45Å; K116-Y129 HydrophobicContact CG-CD1 4.07Å; K116-Y129 HydrophobicContact CG-CE1 4.16Å
117G75.1Confident78.4Confident8 Ų860.1 Ų60.18%0.08233%0.33CS..  trans73.1165.8-176.100000113.3S113 Y129S113-G117 PolarHBondContact O-N 3.06Å; G117-Y129 WeakPolarHBondContact O-CD1 3.06Å; G117-Y129 WeakPolarHBondContact O-CE1 3.32Å
118P76.1Confident77.7Confident19 Ų1957.4 Ų57.412%0.12332%0.322CS..  trans-75.2150.6177.731.3-33.4000111.3V152 I153 N156P118-V152 HydrophobicContact CB-CG2 4.33Å; P118-V152 HydrophobicContact CG-CG1 4.48Å; P118-I153 HydrophobicContact CG-CG1 4.12Å; P118-N156 HydrophobicContact CB-CB 4.41Å
119K73.6Confident76.9Confident75 Ų7555.8 Ų55.833%0.32631%0.309SS..  trans-72.1134.3169.6-170.4175.6174.9173.60109.5S43 W127 Y129S43-K119 PolarHBondContact OG-NZ 3.48Å; K119-W127 HydrophobicContact CG-CE3 4.39Å; K119-Y129 HydrophobicContact CB-CD1 4.47Å; K119-Y129 HydrophobicContact CB-CE1 3.96Å
120C75.1Confident76.1Confident0 Ų056.2 Ų56.20%031%0.312CS..EExtended strand (participates in β ladder)trans-147.9169.7174.560.10000113.5M122 G128 C146 V152C120-M122 PolarHBondContact O-N 3.09Å; C120-G128 PolarHBondContact N-O 3.34Å; C120-G128 PolarHBondContact O-N 3.18Å; C120-G128 VanDerWaalsContact O-N 3.14Å; C120-C146 HydrophobicContact CB-CB 4.17Å; C120-C146 WeakPolarHBondContact CB-SG 3.43Å; C120-C146 VanDerWaalsContact SG-CA 3.57Å; C120-C146 WeakPolarHBondContact SG-CB 3.33Å; C120-C146 CovalentContact SG-SG 2.02Å; C120-C146 PolarHBondContact SG-SG 3.49Å; C120-V152 HydrophobicContact CB-CG1 4.4Å
121L74.3Confident75.3Confident30 Ų3056.2 Ų56.216%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-77.5112.5175.6-169.772.4000109.2W127 K147 E148L121-W127 HydrophobicContact CB-CD2 4.42Å; L121-W127 HydrophobicContact CB-CH2 4.49Å; L121-W127 HydrophobicContact CB-CZ2 4.34Å; L121-W127 HydrophobicContact CD1-CD2 4.24Å; L121-W127 HydrophobicContact CD1-CG 4.17Å; L121-K147 PolarHBondContact O-N 2.87Å; L121-E148 HydrophobicContact CB-CB 4.41Å; L121-E148 PolarHBondContact N-O 3.44Å
122M74.5Confident74.3Confident49 Ų4961.4 Ų61.424%0.24133%0.331CS..EExtended strand (participates in β ladder)trans-75.9163.1176.2-69177.7-71.100111C120 N124 S125 T126 P130 E145C120-M122 PolarHBondContact O-N 3.09Å; M122-N124 PolarHBondContact O-N 2.85Å; M122-S125 PolarHBondContact O-N 2.9Å; M122-T126 PolarHBondContact N-O 2.94Å; M122-P130 HydrophobicContact CG-CB 4.06Å; M122-P130 HydrophobicContact CG-CG 4.15Å; M122-P130 HydrophobicContact SD-CB 3.87Å; M122-P130 HydrophobicContact SD-CG 4.41Å; M122-E145 WeakPolarHBondContact CA-O 3.37Å
123A71.3Confident73.3Confident82 Ų8264.5 Ų64.568%0.67835%0.349SS*.THydrogen-bonded Turntrans-54.6-20.4177.300000114.7S125 E145A123-S125 VanDerWaalsContact C-N 3.26Å; A123-S125 PolarHBondContact O-N 2.7Å; A123-E145 PolarHBondContact N-O 2.85Å
124N74.1Confident72.5Confident131 Ų13164.3 Ų64.370%0.70135%0.352SS*.THydrogen-bonded Turntrans-85.114.6175.2-163.816000113.8M122 T126M122-N124 PolarHBondContact O-N 2.85Å; N124-T126 PolarHBondContact O-N 3.07Å; N124-T126 VanDerWaalsContact O-N 3.08Å
125S75Confident72Confident99 Ų9967.6 Ų67.669%0.69237%0.37SS*.SBendtrans57.421.4-175.6-57.20000114.3M122 A123M122-S125 PolarHBondContact O-N 2.9Å; A123-S125 VanDerWaalsContact C-N 3.26Å; A123-S125 PolarHBondContact O-N 2.7Å
126T75.9Confident71.8Confident66 Ų6662.4 Ų62.441%0.40534%0.342SS..  trans-108.2137176.951.40000110.3M122 N124M122-T126 PolarHBondContact N-O 2.94Å; N124-T126 PolarHBondContact O-N 3.07Å; N124-T126 VanDerWaalsContact O-N 3.08Å
127W71.8Confident71.7Confident128 Ų12861.7 Ų61.749%0.48534%0.342SS..EExtended strand (participates in β ladder)trans-83.1120.9174.9-73.290.5000110.2K119 L121K119-W127 HydrophobicContact CG-CE3 4.39Å; L121-W127 HydrophobicContact CB-CD2 4.42Å; L121-W127 HydrophobicContact CB-CH2 4.49Å; L121-W127 HydrophobicContact CB-CZ2 4.34Å; L121-W127 HydrophobicContact CD1-CD2 4.24Å; L121-W127 HydrophobicContact CD1-CG 4.17Å
128G69.9Low71.8Confident13 Ų1367.7 Ų67.713%0.13437%0.372CS..EExtended strand (participates in β ladder)trans-160.5-170.9-178.700000113.3C120 P130C120-G128 PolarHBondContact N-O 3.34Å; C120-G128 PolarHBondContact O-N 3.18Å; C120-G128 VanDerWaalsContact O-N 3.14Å; G128-P130 VanDerWaalsContact O-CD 3.26Å; G128-P130 WeakPolarHBondContact O-CD 3.37Å
129Y70.3Confident71.9Confident66 Ų6670.7 Ų70.726%0.25939%0.387SS..  trans-108.188.5175.8-68-83.4000108.1E45 K116 G117 K119 F131E45-Y129 PolarHBondContact OE1-OH 3.26Å; K116-Y129 HydrophobicContact CD-CE1 4.45Å; K116-Y129 HydrophobicContact CG-CD1 4.07Å; K116-Y129 HydrophobicContact CG-CE1 4.16Å; G117-Y129 WeakPolarHBondContact O-CD1 3.06Å; G117-Y129 WeakPolarHBondContact O-CE1 3.32Å; K119-Y129 HydrophobicContact CB-CD1 4.47Å; K119-Y129 HydrophobicContact CB-CE1 3.96Å; Y129-F131 PolarHBondContact O-N 3.13Å
130P66.1Low72.1Confident26 Ų2673.9 Ų73.917%0.16940%0.401CS..G310 helixtrans-64.3-21.6-179.923.8-31.2000112.3M122 G128 H132M122-P130 HydrophobicContact CG-CB 4.06Å; M122-P130 HydrophobicContact CG-CG 4.15Å; M122-P130 HydrophobicContact SD-CB 3.87Å; M122-P130 HydrophobicContact SD-CG 4.41Å; G128-P130 VanDerWaalsContact O-CD 3.26Å; G128-P130 WeakPolarHBondContact O-CD 3.37Å; P130-H132 PolarHBondContact O-N 3.17Å
131F67.4Low72.2Confident4 Ų477.1 Ų77.12%0.01843%0.428CS..G310 helixtrans-90.410.8-173.8-50.8-57.8000114.9Y129 D133 Y136 L142 C146 I153Y129-F131 PolarHBondContact O-N 3.13Å; F131-D133 VanDerWaalsContact C-N 3.27Å; F131-D133 PolarHBondContact O-N 3.46Å; F131-Y136 HydrophobicContact CB-CD1 3.62Å; F131-Y136 HydrophobicContact CB-CE1 4.14Å; F131-Y136 HydrophobicContact CB-CG 3.98Å; F131-Y136 HydrophobicContact CD1-CD1 4.19Å; F131-Y136 HydrophobicContact CD1-CD2 4.22Å; F131-Y136 AromaticContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD2-CG 4.45Å; F131-Y136 HydrophobicContact CE1-CD2 4.47Å; F131-Y136 HydrophobicContact CE1-CG 4.26Å; F131-Y136 AromaticContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD2 4.23Å; F131-Y136 AromaticContact CG-CG 3.74Å; F131-Y136 HydrophobicContact CG-CG 3.74Å; F131-L142 HydrophobicContact CD1-CB 4.41Å; F131-L142 HydrophobicContact CE1-CB 4.03Å; F131-L142 WeakPolarHBondContact CE1-O 3.46Å; F131-C146 HydrophobicContact CZ-CB 4.3Å; F131-I153 HydrophobicContact CE1-CD1 4.48Å; F131-I153 HydrophobicContact CE2-CD1 3.88Å; F131-I153 HydrophobicContact CE2-CG1 4.03Å; F131-I153 HydrophobicContact CZ-CD1 3.45Å; F131-I153 VanDerWaalsContact CZ-CD1 3.45Å; F131-I153 HydrophobicContact CZ-CG1 4.12Å
132H63.9Low72.1Confident137 Ų13777.8 Ų77.863%0.63443%0.431SS*.G310 helixtrans-67-27.9-174.7-159.334.6000113.5P130P130-H132 PolarHBondContact O-N 3.17Å
133D62.7Low72.2Confident166 Ų16678.2 Ų78.289%0.88843%0.43SS*.SBendtrans-119.60.3-176.2-77.6-63.7000114.3F131F131-D133 VanDerWaalsContact C-N 3.27Å; F131-D133 PolarHBondContact O-N 3.46Å
134G64.3Low72.3Confident30 Ų3082.4 Ų82.431%0.30944%0.436SS..SBendtrans-121.8142.4-173.400000114.1Y136G134-Y136 PolarHBondContact O-N 3.21Å
135D72.1Confident72.3Confident90 Ų9080.6 Ų80.648%0.48142%0.423SS..  trans-77.971.8176-170.6-2.5000111.6L137 N138 D139D135-L137 PolarHBondContact O-N 3.34Å; D135-L137 PolarHBondContact OD1-N 3.43Å; D135-N138 PolarHBondContact O-N 3Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD1-ND2 3.34Å; D135-N138 PolarHBondContact OD2-ND2 3.48Å; D135-D139 PolarHBondContact O-N 3.42Å
136Y75.8Confident72.3Confident7 Ų776.7 Ų76.73%0.02740%0.395CS..THydrogen-bonded Turntrans-68.3-9.4-179.884.7-81.9000113.7I114 F131 G134 W143 I153I114-Y136 VanDerWaalsContact O-CE1 3.3Å; I114-Y136 WeakPolarHBondContact O-CE1 3.26Å; I114-Y136 VanDerWaalsContact O-CZ 3.29Å; I114-Y136 PolarHBondContact O-OH 3.1Å; F131-Y136 HydrophobicContact CB-CD1 3.62Å; F131-Y136 HydrophobicContact CB-CE1 4.14Å; F131-Y136 HydrophobicContact CB-CG 3.98Å; F131-Y136 HydrophobicContact CD1-CD1 4.19Å; F131-Y136 HydrophobicContact CD1-CD2 4.22Å; F131-Y136 AromaticContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD1-CG 3.65Å; F131-Y136 HydrophobicContact CD2-CG 4.45Å; F131-Y136 HydrophobicContact CE1-CD2 4.47Å; F131-Y136 HydrophobicContact CE1-CG 4.26Å; F131-Y136 AromaticContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD1 3.91Å; F131-Y136 HydrophobicContact CG-CD2 4.23Å; F131-Y136 AromaticContact CG-CG 3.74Å; F131-Y136 HydrophobicContact CG-CG 3.74Å; G134-Y136 PolarHBondContact O-N 3.21Å; Y136-W143 AromaticContact CD2-NE1 3.75Å; Y136-W143 PolarHBondContact O-NE1 3.44Å; Y136-I153 HydrophobicContact CD2-CG2 4.07Å; Y136-I153 HydrophobicContact CE2-CG2 3.94Å
137L77.6Confident72.1Confident70 Ų7080.6 Ų80.637%0.36641%0.407SS..THydrogen-bonded Turntrans-76.1-38.8174.9-62.1179.6000111I114 D135 L157I114-L137 HydrophobicContact CG2-CD1 4.09Å; I114-L137 HydrophobicContact CG2-CD2 4.15Å; D135-L137 PolarHBondContact O-N 3.34Å; D135-L137 PolarHBondContact OD1-N 3.43Å; L137-L157 HydrophobicContact CD2-CD1 3.51Å; L137-L157 HydrophobicContact CD2-CD2 3.88Å; L137-L157 HydrophobicContact CD2-CG 4.37Å
138N76.3Confident72Confident133 Ų13380.2 Ų80.271%0.71141%0.41SS*.THydrogen-bonded Turntrans-88.1-39.6176.3-77.8-65.5000112.2D135D135-N138 PolarHBondContact O-N 3Å; D135-N138 PolarHBondContact OD1-N 2.91Å; D135-N138 PolarHBondContact OD1-ND2 3.34Å; D135-N138 PolarHBondContact OD2-ND2 3.48Å
139D79.1Confident71.8Confident83 Ų8381.2 Ų81.244%0.44441%0.414SS..  trans-98.799.8-177.5-161.9-15.2000112.1D135 A141 L142D135-D139 PolarHBondContact O-N 3.42Å; D139-A141 PolarHBondContact O-N 3.22Å; D139-A141 WeakPolarHBondContact OD1-CB 3.32Å; D139-A141 PolarHBondContact OD1-N 2.88Å; D139-L142 HydrophobicContact CB-CD1 4.04Å; D139-L142 HydrophobicContact CB-CG 4.34Å; D139-L142 PolarHBondContact O-N 3.05Å
140K77.2Confident71.6Confident142 Ų14283.3 Ų83.362%0.61743%0.43SS*.G310 helixtrans-71.4-14176.4-63-167.5-178.5-171.60113.2L142 W143K140-L142 PolarHBondContact O-N 2.88Å; K140-W143 HydrophobicContact CB-CD2 4.49Å; K140-W143 HydrophobicContact CD-CH2 4.45Å; K140-W143 HydrophobicContact CG-CZ2 4.26Å; K140-W143 VanDerWaalsContact O-CB 3.3Å; K140-W143 WeakPolarHBondContact O-CB 3.33Å; K140-W143 PolarHBondContact O-N 3.44Å; K140-W143 VanDerWaalsContact O-N 3.15Å
141A76Confident71.9Confident68 Ų6890.1 Ų90.156%0.56246%0.457SS*.G310 helixtrans-66.7-30.6176.300000111.3D139 W143 E144D139-A141 PolarHBondContact O-N 3.22Å; D139-A141 WeakPolarHBondContact OD1-CB 3.32Å; D139-A141 PolarHBondContact OD1-N 2.88Å; A141-W143 PolarHBondContact O-N 2.94Å; A141-E144 PolarHBondContact O-N 2.86Å
142L73.5Confident72.3Confident44 Ų4490.2 Ų90.223%0.2346%0.458CS..G310 helixtrans-63.2-20.5174.6-68.1169.1000112.5F131 D139 K140 E144 E145F131-L142 HydrophobicContact CD1-CB 4.41Å; F131-L142 HydrophobicContact CE1-CB 4.03Å; F131-L142 WeakPolarHBondContact CE1-O 3.46Å; D139-L142 HydrophobicContact CB-CD1 4.04Å; D139-L142 HydrophobicContact CB-CG 4.34Å; D139-L142 PolarHBondContact O-N 3.05Å; K140-L142 PolarHBondContact O-N 2.88Å; L142-E144 PolarHBondContact O-N 3.47Å; L142-E145 PolarHBondContact O-N 3.49Å
143W76.7Confident73Confident58 Ų5884 Ų8422%0.2243%0.429CS..G310 helixtrans-68.6-21.8179-62.111.5000112.1Y136 K140 A141 E145 C146 I153 P154 L157Y136-W143 AromaticContact CD2-NE1 3.75Å; Y136-W143 PolarHBondContact O-NE1 3.44Å; K140-W143 HydrophobicContact CB-CD2 4.49Å; K140-W143 HydrophobicContact CD-CH2 4.45Å; K140-W143 HydrophobicContact CG-CZ2 4.26Å; K140-W143 VanDerWaalsContact O-CB 3.3Å; K140-W143 WeakPolarHBondContact O-CB 3.33Å; K140-W143 PolarHBondContact O-N 3.44Å; K140-W143 VanDerWaalsContact O-N 3.15Å; A141-W143 PolarHBondContact O-N 2.94Å; W143-E145 VanDerWaalsContact C-N 3.29Å; W143-E145 PolarHBondContact O-N 3.08Å; W143-C146 WeakPolarHBondContact O-CB 3.3Å; W143-C146 PolarHBondContact O-N 3.18Å; W143-I153 HydrophobicContact CB-CD1 3.66Å; W143-I153 HydrophobicContact CD2-CG2 3.98Å; W143-I153 HydrophobicContact CG-CD1 3.83Å; W143-I153 HydrophobicContact CG-CG2 4.2Å; W143-I153 HydrophobicContact CZ2-CG2 4.27Å; W143-P154 HydrophobicContact CH2-CB 4.37Å; W143-P154 HydrophobicContact CZ3-CB 4.07Å; W143-P154 HydrophobicContact CZ3-CG 4.31Å; W143-L157 HydrophobicContact CZ2-CD2 4.28Å
144E73.6Confident73.9Confident170 Ų17078 Ų7879%0.79440%0.4SS*.G310 helixtrans-75-15.1177.7-60.7-143.8147.500113.5A141 L142 C146A141-E144 PolarHBondContact O-N 2.86Å; L142-E144 PolarHBondContact O-N 3.47Å; E144-C146 PolarHBondContact O-N 3.04Å
145E73.1Confident74.8Confident93 Ų9380.4 Ų80.444%0.43540%0.399SS..G310 helixtrans-67-18172.9-67.1-160.3144.300112.6M122 A123 L142 W143M122-E145 WeakPolarHBondContact CA-O 3.37Å; A123-E145 PolarHBondContact N-O 2.85Å; L142-E145 PolarHBondContact O-N 3.49Å; W143-E145 VanDerWaalsContact C-N 3.29Å; W143-E145 PolarHBondContact O-N 3.08Å
146C74.8Confident75.3Confident16 Ų1677 Ų7711%0.10838%0.381CS..EExtended strand (participates in β ladder)trans-101.791-173-159.80000109.1C120 F131 W143 E144 I153C120-C146 HydrophobicContact CB-CB 4.17Å; C120-C146 WeakPolarHBondContact CB-SG 3.43Å; C120-C146 VanDerWaalsContact SG-CA 3.57Å; C120-C146 WeakPolarHBondContact SG-CB 3.33Å; C120-C146 CovalentContact SG-SG 2.02Å; C120-C146 PolarHBondContact SG-SG 3.49Å; F131-C146 HydrophobicContact CZ-CB 4.3Å; W143-C146 WeakPolarHBondContact O-CB 3.3Å; W143-C146 PolarHBondContact O-N 3.18Å; E144-C146 PolarHBondContact O-N 3.04Å; C146-I153 HydrophobicContact CB-CD1 3.69Å; C146-I153 HydrophobicContact CB-CG1 4.42Å
147K72.6Confident75.7Confident149 Ų14978.4 Ų78.465%0.64839%0.389SS*.EExtended strand (participates in β ladder)trans-76.1-41.6-172.6-101.6-164.7174.8-173.10113.6L121L121-K147 PolarHBondContact O-N 2.87Å
148E68.8Low76.2Confident120 Ų12078.8 Ų78.856%0.56139%0.394SS*.EExtended strand (participates in β ladder)trans-140.7142.2179.8-77.3-177103.400111.1L121L121-E148 HydrophobicContact CB-CB 4.41Å; L121-E148 PolarHBondContact N-O 3.44Å
149P65.8Low76.5Confident33 Ų3373.1 Ų73.121%0.21436%0.364CS..SBendcis-80.3148.6-3.119.3-16.5000114.9K151 V152P149-K151 PolarHBondContact O-N 3.4Å; P149-V152 HydrophobicContact CG-CB 3.89Å; P149-V152 HydrophobicContact CG-CG1 4.38Å; P149-V152 HydrophobicContact CG-CG2 3.98Å; P149-V152 WeakPolarHBondContact O-CB 3.45Å; P149-V152 VanDerWaalsContact O-CG1 3.29Å; P149-V152 WeakPolarHBondContact O-CG1 3.41Å; P149-V152 PolarHBondContact O-N 2.87Å
150D66.2Low76.9Confident111 Ų11170.8 Ų70.859%0.59435%0.35SS*.THydrogen-bonded Turntrans-52.2130.1177.5-78.3-51000112.3V152D150-V152 PolarHBondContact O-N 2.9Å
151K71.9Confident77.4Confident168 Ų16866.7 Ų66.773%0.7334%0.339SS*.THydrogen-bonded Turntrans60.919.5175.7-54.1176.7-177.3174.60115P149 I153 P154 W155P149-K151 PolarHBondContact O-N 3.4Å; K151-I153 VanDerWaalsContact C-N 3.27Å; K151-I153 PolarHBondContact O-N 3.44Å; K151-P154 HydrophobicContact CB-CG 4.04Å; K151-P154 WeakPolarHBondContact O-CD 3.33Å; K151-P154 WeakPolarHBondContact O-CG 3.02Å; K151-W155 VanDerWaalsContact O-CB 3.28Å; K151-W155 WeakPolarHBondContact O-CB 3.39Å; K151-W155 PolarHBondContact O-N 3.44Å
152V77.1Confident77.9Confident6 Ų667 Ų674%0.03633%0.331CS..Hα-helixtrans-61.7-34.6176.370.90000112.8P31 P118 C120 P149 D150 N156P31-V152 HydrophobicContact CB-CG2 4.38Å; P118-V152 HydrophobicContact CB-CG2 4.33Å; P118-V152 HydrophobicContact CG-CG1 4.48Å; C120-V152 HydrophobicContact CB-CG1 4.4Å; P149-V152 HydrophobicContact CG-CB 3.89Å; P149-V152 HydrophobicContact CG-CG1 4.38Å; P149-V152 HydrophobicContact CG-CG2 3.98Å; P149-V152 WeakPolarHBondContact O-CB 3.45Å; P149-V152 VanDerWaalsContact O-CG1 3.29Å; P149-V152 WeakPolarHBondContact O-CG1 3.41Å; P149-V152 PolarHBondContact O-N 2.87Å; D150-V152 PolarHBondContact O-N 2.9Å; V152-N156 VanDerWaalsContact CG2-ND2 3.28Å; V152-N156 WeakPolarHBondContact CG2-ND2 3.29Å; V152-N156 WeakPolarHBondContact O-CB 3.28Å; V152-N156 PolarHBondContact O-N 2.87Å; V152-N156 PolarHBondContact O-ND2 3.43Å
153I78.9Confident78.5Confident7 Ų765.1 Ų65.14%0.03632%0.321CS..Hα-helixtrans-64.6-62.2179.7-56.4164.9000111.2P118 F131 Y136 W143 C146 K151 W155 N156 L157P118-I153 HydrophobicContact CG-CG1 4.12Å; F131-I153 HydrophobicContact CE1-CD1 4.48Å; F131-I153 HydrophobicContact CE2-CD1 3.88Å; F131-I153 HydrophobicContact CE2-CG1 4.03Å; F131-I153 HydrophobicContact CZ-CD1 3.45Å; F131-I153 VanDerWaalsContact CZ-CD1 3.45Å; F131-I153 HydrophobicContact CZ-CG1 4.12Å; Y136-I153 HydrophobicContact CD2-CG2 4.07Å; Y136-I153 HydrophobicContact CE2-CG2 3.94Å; W143-I153 HydrophobicContact CB-CD1 3.66Å; W143-I153 HydrophobicContact CD2-CG2 3.98Å; W143-I153 HydrophobicContact CG-CD1 3.83Å; W143-I153 HydrophobicContact CG-CG2 4.2Å; W143-I153 HydrophobicContact CZ2-CG2 4.27Å; C146-I153 HydrophobicContact CB-CD1 3.69Å; C146-I153 HydrophobicContact CB-CG1 4.42Å; K151-I153 VanDerWaalsContact C-N 3.27Å; K151-I153 PolarHBondContact O-N 3.44Å; I153-W155 PolarHBondContact O-N 3.32Å; I153-N156 PolarHBondContact O-N 2.97Å; I153-L157 VanDerWaalsContact O-CB 3.23Å; I153-L157 WeakPolarHBondContact O-CB 3.17Å; I153-L157 PolarHBondContact O-N 3.41Å
154P81.7Confident79.1Confident41 Ų4164.5 Ų64.527%0.26632%0.321SS..Hα-helixtrans-62.7-30.4-179.424.9-35.5000112.4W143 K151 T158W143-P154 HydrophobicContact CH2-CB 4.37Å; W143-P154 HydrophobicContact CZ3-CB 4.07Å; W143-P154 HydrophobicContact CZ3-CG 4.31Å; K151-P154 HydrophobicContact CB-CG 4.04Å; K151-P154 WeakPolarHBondContact O-CD 3.33Å; K151-P154 WeakPolarHBondContact O-CG 3.02Å; P154-T158 WeakPolarHBondContact O-CB 3.06Å; P154-T158 PolarHBondContact O-N 3.5Å; P154-T158 PolarHBondContact O-OG1 3.11Å
155W82.3Confident79.9Confident80 Ų8060.2 Ų60.230%0.30331%0.307SS..Hα-helixtrans-61.7-57.4175.7-177.1-97.4000112.2L27 F30 K151 I153 T158 L159L27-W155 HydrophobicContact CB-CZ2 4.05Å; L27-W155 HydrophobicContact CD2-CH2 4Å; L27-W155 HydrophobicContact CD2-CZ2 4.13Å; L27-W155 HydrophobicContact CG-CH2 4.48Å; L27-W155 HydrophobicContact CG-CZ2 4.21Å; L27-W155 PolarHBondContact O-NE1 3.45Å; F30-W155 PolarHBondContact O-NE1 3.47Å; K151-W155 VanDerWaalsContact O-CB 3.28Å; K151-W155 WeakPolarHBondContact O-CB 3.39Å; K151-W155 PolarHBondContact O-N 3.44Å; I153-W155 PolarHBondContact O-N 3.32Å; W155-T158 PolarHBondContact O-N 2.99Å; W155-L159 HydrophobicContact CD2-CD1 4.28Å; W155-L159 HydrophobicContact CG-CD1 4.34Å; W155-L159 HydrophobicContact CZ2-CD1 4.17Å; W155-L159 VanDerWaalsContact NE1-CD1 3.34Å; W155-L159 WeakPolarHBondContact O-CG 3.41Å; W155-L159 PolarHBondContact O-N 2.99Å; W155-L159 VanDerWaalsContact O-N 3.08Å
156N82.3Confident80.6Confident17 Ų1756.6 Ų56.69%0.09129%0.291CS..Hα-helixtrans-64.8-44179.9-76.4-70.7000111.5P118 V152 I153 T158 L159 F160P118-N156 HydrophobicContact CB-CB 4.41Å; V152-N156 VanDerWaalsContact CG2-ND2 3.28Å; V152-N156 WeakPolarHBondContact CG2-ND2 3.29Å; V152-N156 WeakPolarHBondContact O-CB 3.28Å; V152-N156 PolarHBondContact O-N 2.87Å; V152-N156 PolarHBondContact O-ND2 3.43Å; I153-N156 PolarHBondContact O-N 2.97Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.09Å; N156-L159 PolarHBondContact O-N 3.01Å; N156-F160 HydrophobicContact CB-CD2 4.11Å; N156-F160 HydrophobicContact CB-CE2 4.08Å; N156-F160 WeakPolarHBondContact O-CB 3.19Å; N156-F160 WeakPolarHBondContact O-CD2 3.44Å; N156-F160 PolarHBondContact O-N 3.14Å
157L85Confident81.2Confident37 Ų3755.9 Ų55.919%0.19429%0.286CS..Hα-helixtrans-58.2-44178.9-178.760.9000111.7I114 L137 W143 I153 S161I114-L157 HydrophobicContact CG1-CD1 4.23Å; I114-L157 HydrophobicContact CG2-CD1 3.81Å; L137-L157 HydrophobicContact CD2-CD1 3.51Å; L137-L157 HydrophobicContact CD2-CD2 3.88Å; L137-L157 HydrophobicContact CD2-CG 4.37Å; W143-L157 HydrophobicContact CZ2-CD2 4.28Å; I153-L157 VanDerWaalsContact O-CB 3.23Å; I153-L157 WeakPolarHBondContact O-CB 3.17Å; I153-L157 PolarHBondContact O-N 3.41Å; L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.32Å
158T86.6Confident82Confident79 Ų7949.6 Ų49.649%0.48526%0.264SS..Hα-helixtrans-66.5-46.8178.9-56.50000111.4P154 W155 N156 S161 I162P154-T158 WeakPolarHBondContact O-CB 3.06Å; P154-T158 PolarHBondContact O-N 3.5Å; P154-T158 PolarHBondContact O-OG1 3.11Å; W155-T158 PolarHBondContact O-N 2.99Å; N156-T158 VanDerWaalsContact C-N 3.31Å; N156-T158 PolarHBondContact O-N 3.09Å; T158-S161 PolarHBondContact O-N 3.25Å; T158-I162 HydrophobicContact CG2-CD1 3.99Å; T158-I162 VanDerWaalsContact O-CG1 3.3Å; T158-I162 WeakPolarHBondContact O-CG1 2.87Å; T158-I162 PolarHBondContact O-N 3.12Å
159L84.5Confident83Confident13 Ų1347.5 Ų47.57%0.06826%0.256CS..Hα-helixtrans-65.3-46-179-70.4173.3000112.3A24 L27 L28 W155 N156 S161 I162 L163A24-L159 HydrophobicContact CB-CD2 4.25Å; L27-L159 HydrophobicContact CB-CD1 3.95Å; L27-L159 HydrophobicContact CB-CD2 3.99Å; L27-L159 HydrophobicContact CD2-CD2 4.31Å; L28-L159 HydrophobicContact CB-CD1 4.35Å; L28-L159 HydrophobicContact CD1-CB 3.89Å; L28-L159 HydrophobicContact CG-CB 4.38Å; L28-L159 HydrophobicContact CG-CD1 4.16Å; W155-L159 HydrophobicContact CD2-CD1 4.28Å; W155-L159 HydrophobicContact CG-CD1 4.34Å; W155-L159 HydrophobicContact CZ2-CD1 4.17Å; W155-L159 VanDerWaalsContact NE1-CD1 3.34Å; W155-L159 WeakPolarHBondContact O-CG 3.41Å; W155-L159 PolarHBondContact O-N 2.99Å; W155-L159 VanDerWaalsContact O-N 3.08Å; N156-L159 PolarHBondContact O-N 3.01Å; L159-S161 VanDerWaalsContact C-N 3.31Å; L159-S161 PolarHBondContact O-N 2.8Å; L159-I162 PolarHBondContact O-N 3.41Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.44Å
160F85.6Confident84Confident34 Ų3446 Ų4615%0.14925%0.245CC..Hα-helixtrans-65.1-35.2175.8-73.1-58.4000112.2L28 I114 N156 L163 L164L28-F160 HydrophobicContact CD1-CD1 3.79Å; L28-F160 HydrophobicContact CD1-CD2 4.5Å; L28-F160 HydrophobicContact CD1-CE1 3.55Å; L28-F160 HydrophobicContact CD1-CE2 4.28Å; L28-F160 HydrophobicContact CD1-CG 4.26Å; L28-F160 HydrophobicContact CD1-CZ 3.82Å; L28-F160 HydrophobicContact CD2-CE1 3.89Å; L28-F160 HydrophobicContact CD2-CE2 3.87Å; L28-F160 HydrophobicContact CD2-CZ 3.35Å; L28-F160 HydrophobicContact CG-CE1 4.37Å; L28-F160 HydrophobicContact CG-CZ 4.17Å; I114-F160 HydrophobicContact CD1-CB 3.99Å; I114-F160 HydrophobicContact CG1-CB 3.68Å; N156-F160 HydrophobicContact CB-CD2 4.11Å; N156-F160 HydrophobicContact CB-CE2 4.08Å; N156-F160 WeakPolarHBondContact O-CB 3.19Å; N156-F160 WeakPolarHBondContact O-CD2 3.44Å; N156-F160 PolarHBondContact O-N 3.14Å; F160-L163 HydrophobicContact CD1-CD1 4.35Å; F160-L163 PolarHBondContact O-N 2.98Å; F160-L164 VanDerWaalsContact O-CB 3.3Å; F160-L164 WeakPolarHBondContact O-CB 3.31Å; F160-L164 PolarHBondContact O-N 3.24Å
161S88.1Confident85Confident57 Ų5742.4 Ų42.440%0.39923%0.226SC..Hα-helixtrans-63.7-44.5174.2-176.80000111.9L157 T158 L159 L163 L164 V165L157-S161 WeakPolarHBondContact O-CB 3.44Å; L157-S161 PolarHBondContact O-N 3.32Å; T158-S161 PolarHBondContact O-N 3.25Å; L159-S161 VanDerWaalsContact C-N 3.31Å; L159-S161 PolarHBondContact O-N 2.8Å; S161-L163 PolarHBondContact O-N 3.45Å; S161-L164 PolarHBondContact O-N 3.36Å; S161-V165 WeakPolarHBondContact O-CG2 3.46Å; S161-V165 PolarHBondContact O-N 3.04Å
162I87.9Confident85.9Confident75 Ų7538.7 Ų38.739%0.38522%0.217SC..Hα-helixtrans-60.1-47174.4-68.2164.7000110.3T158 L159 L164 V165 V166T158-I162 HydrophobicContact CG2-CD1 3.99Å; T158-I162 VanDerWaalsContact O-CG1 3.3Å; T158-I162 WeakPolarHBondContact O-CG1 2.87Å; T158-I162 PolarHBondContact O-N 3.12Å; L159-I162 PolarHBondContact O-N 3.41Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 2.94Å; I162-V165 PolarHBondContact O-N 2.99Å; I162-V166 HydrophobicContact CG2-CG2 4.15Å; I162-V166 WeakPolarHBondContact O-CB 3.29Å; I162-V166 VanDerWaalsContact O-CG2 3.26Å; I162-V166 WeakPolarHBondContact O-CG2 3.43Å; I162-V166 PolarHBondContact O-N 2.93Å
163L85.6Confident86.2Confident3 Ų339.5 Ų39.52%0.01622%0.221CC..Hα-helixtrans-61.6-37.4177.8-72.2172.5000112.5A24 N25 L28 L159 F160 S161 G167A24-L163 HydrophobicContact CB-CD2 3.83Å; A24-L163 HydrophobicContact CB-CG 4.03Å; N25-L163 WeakPolarHBondContact ND2-CD2 3.29Å; L28-L163 HydrophobicContact CD1-CD1 3.76Å; L159-L163 WeakPolarHBondContact O-CG 3.36Å; L159-L163 PolarHBondContact O-N 3.44Å; F160-L163 HydrophobicContact CD1-CD1 4.35Å; F160-L163 PolarHBondContact O-N 2.98Å; S161-L163 PolarHBondContact O-N 3.45Å; L163-G167 PolarHBondContact O-N 2.78Å
164L89.1Confident86.5Confident45 Ų4539.2 Ų39.224%0.23622%0.219CC..Hα-helixtrans-64.3-47.1175.9-170.6154.7000111.1F107 A111 I114 F160 S161 I162 G168F107-L164 HydrophobicContact CD2-CD2 4.19Å; F107-L164 HydrophobicContact CD2-CG 3.93Å; F107-L164 WeakPolarHBondContact CD2-O 3.35Å; F107-L164 HydrophobicContact CE2-CD2 3.51Å; F107-L164 HydrophobicContact CE2-CG 3.7Å; F107-L164 HydrophobicContact CZ-CD2 4.1Å; F107-L164 HydrophobicContact CZ-CG 4.29Å; A111-L164 HydrophobicContact CB-CD1 4.01Å; I114-L164 HydrophobicContact CD1-CD1 3.96Å; F160-L164 VanDerWaalsContact O-CB 3.3Å; F160-L164 WeakPolarHBondContact O-CB 3.31Å; F160-L164 PolarHBondContact O-N 3.24Å; S161-L164 PolarHBondContact O-N 3.36Å; I162-L164 VanDerWaalsContact C-N 3.3Å; I162-L164 PolarHBondContact O-N 2.94Å; L164-G168 PolarHBondContact O-N 3.48Å
165V90.5Very high86.8Confident80 Ų8039.1 Ų39.149%0.48522%0.222SC..Hα-helixtrans-65.7-46.8177.6176.90000111S161 I162 G168 I169S161-V165 WeakPolarHBondContact O-CG2 3.46Å; S161-V165 PolarHBondContact O-N 3.04Å; I162-V165 PolarHBondContact O-N 2.99Å; V165-G168 PolarHBondContact O-N 2.92Å; V165-I169 HydrophobicContact CG1-CD1 3.96Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.9Å
166V87.4Confident86.8Confident17 Ų1738.6 Ų38.610%0.10323%0.225CC..Hα-helixtrans-61.3-47.6178.9170.30000110.8L17 I162 G168 I169 Q170L17-V166 HydrophobicContact CB-CG1 4.28Å; L17-V166 HydrophobicContact CG-CG1 4.44Å; L17-V166 WeakPolarHBondContact O-CG1 3.38Å; I162-V166 HydrophobicContact CG2-CG2 4.15Å; I162-V166 WeakPolarHBondContact O-CB 3.29Å; I162-V166 VanDerWaalsContact O-CG2 3.26Å; I162-V166 WeakPolarHBondContact O-CG2 3.43Å; I162-V166 PolarHBondContact O-N 2.93Å; V166-G168 VanDerWaalsContact C-N 3.31Å; V166-G168 PolarHBondContact O-N 3.37Å; V166-I169 PolarHBondContact O-N 3.18Å; V166-Q170 HydrophobicContact CG1-CG 4.33Å; V166-Q170 WeakPolarHBondContact O-CB 3.48Å; V166-Q170 VanDerWaalsContact O-CG 3.22Å; V166-Q170 WeakPolarHBondContact O-CG 3.23Å; V166-Q170 PolarHBondContact O-N 3.35Å
167G87.4Confident86.8Confident1 Ų138 Ų381%0.0122%0.221CC..Hα-helixtrans-61.2-38.9176.300000112.5L163 Q170 M171L163-G167 PolarHBondContact O-N 2.78Å; G167-Q170 PolarHBondContact O-N 3.45Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 3.04Å
168G89.4Confident86.7Confident17 Ų1737.7 Ų37.718%0.17522%0.221CC..Hα-helixtrans-59.1-50.417300000112.8L164 V165 V166 Q170 M171 V172L164-G168 PolarHBondContact O-N 3.48Å; V165-G168 PolarHBondContact O-N 2.92Å; V166-G168 VanDerWaalsContact C-N 3.31Å; V166-G168 PolarHBondContact O-N 3.37Å; G168-Q170 VanDerWaalsContact C-N 3.35Å; G168-Q170 PolarHBondContact O-N 2.97Å; G168-M171 PolarHBondContact O-N 3.02Å; G168-V172 WeakPolarHBondContact O-CG2 3.42Å; G168-V172 PolarHBondContact O-N 3.37Å; G168-V172 VanDerWaalsContact O-N 3.17Å
169I88.9Confident86.6Confident77 Ų7737.9 Ų37.940%0.39522%0.222SC..Hα-helixtrans-64-42.5178.1-62.2165.1000110.5L17 V165 V166 M171 V172 L173L17-I169 HydrophobicContact CD2-CB 3.75Å; L17-I169 HydrophobicContact CD2-CD1 4.42Å; L17-I169 HydrophobicContact CD2-CG2 3.43Å; L17-I169 VanDerWaalsContact CD2-CG2 3.43Å; V165-I169 HydrophobicContact CG1-CD1 3.96Å; V165-I169 WeakPolarHBondContact O-CG1 3.48Å; V165-I169 PolarHBondContact O-N 2.9Å; V166-I169 PolarHBondContact O-N 3.18Å; I169-M171 PolarHBondContact O-N 2.95Å; I169-V172 PolarHBondContact O-N 3.42Å; I169-L173 HydrophobicContact CG2-CD1 3.79Å; I169-L173 HydrophobicContact CG2-CG 4.15Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.45Å; I169-L173 PolarHBondContact O-N 3.08Å
170Q86.9Confident86.2Confident0 Ų038.8 Ų38.80%023%0.226CC..Hα-helixtrans-60-43177.3-74.7171.4-14.100112.2L17 M59 A103 V166 G167 G168 V172 L173 C174L17-Q170 HydrophobicContact CB-CG 4.41Å; L17-Q170 HydrophobicContact CD2-CG 4.25Å; M59-Q170 HydrophobicContact CE-CB 3.67Å; M59-Q170 HydrophobicContact CE-CG 3.48Å; M59-Q170 VanDerWaalsContact CE-CG 3.48Å; A103-Q170 HydrophobicContact CB-CB 3.86Å; V166-Q170 HydrophobicContact CG1-CG 4.33Å; V166-Q170 WeakPolarHBondContact O-CB 3.48Å; V166-Q170 VanDerWaalsContact O-CG 3.22Å; V166-Q170 WeakPolarHBondContact O-CG 3.23Å; V166-Q170 PolarHBondContact O-N 3.35Å; G167-Q170 PolarHBondContact O-N 3.45Å; G168-Q170 VanDerWaalsContact C-N 3.35Å; G168-Q170 PolarHBondContact O-N 2.97Å; Q170-V172 PolarHBondContact O-N 3.2Å; Q170-L173 PolarHBondContact O-N 2.57Å; Q170-C174 VanDerWaalsContact O-CB 3.31Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 3.07Å; Q170-C174 PolarHBondContact O-SG 3.3Å
171M88.6Confident85.6Confident37 Ų3737.2 Ų37.218%0.18222%0.22CC..Hα-helixtrans-58.1-46.6173.9-78.9-170.2-62.200111.7F100 A103 G104 F107 G167 G168 I169 C174 A175F100-M171 HydrophobicContact CD2-CB 4.04Å; F100-M171 HydrophobicContact CD2-CG 4.23Å; F100-M171 VanDerWaalsContact CD2-O 3.3Å; F100-M171 WeakPolarHBondContact CD2-O 3.48Å; F100-M171 HydrophobicContact CE2-CB 3.82Å; F100-M171 HydrophobicContact CE2-CG 4.11Å; A103-M171 HydrophobicContact CB-CG 3.86Å; G104-M171 WeakPolarHBondContact CA-SD 3.45Å; F107-M171 HydrophobicContact CB-CE 3.96Å; F107-M171 HydrophobicContact CD1-CE 4.17Å; F107-M171 HydrophobicContact CD2-CE 3.76Å; F107-M171 HydrophobicContact CE2-CE 4.29Å; F107-M171 HydrophobicContact CG-CE 3.69Å; G167-M171 WeakPolarHBondContact O-CG 3.36Å; G167-M171 PolarHBondContact O-N 3.04Å; G168-M171 PolarHBondContact O-N 3.02Å; I169-M171 PolarHBondContact O-N 2.95Å; M171-C174 PolarHBondContact O-N 2.96Å; M171-A175 WeakPolarHBondContact O-CB 3.38Å; M171-A175 PolarHBondContact O-N 2.94Å
172V89.3Confident85Confident89 Ų8938.3 Ų38.354%0.53922%0.221SC..Hα-helixtrans-62.3-46.7179.3175.20000111G168 I169 Q170 A175 I176G168-V172 WeakPolarHBondContact O-CG2 3.42Å; G168-V172 PolarHBondContact O-N 3.37Å; G168-V172 VanDerWaalsContact O-N 3.17Å; I169-V172 PolarHBondContact O-N 3.42Å; Q170-V172 PolarHBondContact O-N 3.2Å; V172-A175 PolarHBondContact O-N 2.97Å; V172-I176 HydrophobicContact CG1-CD1 4.04Å; V172-I176 WeakPolarHBondContact O-CG1 3.25Å; V172-I176 PolarHBondContact O-N 3.4Å
173L84.9Confident84.3Confident24 Ų2439.1 Ų39.113%0.12623%0.226CC..Hα-helixtrans-63.9-42.8179.4-65.8173.1000112L10 L14 L17 I169 Q170 I176 Q177L10-L173 HydrophobicContact CD2-CD2 3.53Å; L14-L173 HydrophobicContact CD1-CB 3.62Å; L14-L173 HydrophobicContact CD1-CD1 3.9Å; L14-L173 HydrophobicContact CD1-CG 4.4Å; L17-L173 HydrophobicContact CD2-CD1 4.48Å; I169-L173 HydrophobicContact CG2-CD1 3.79Å; I169-L173 HydrophobicContact CG2-CG 4.15Å; I169-L173 VanDerWaalsContact O-CG 3.31Å; I169-L173 WeakPolarHBondContact O-CG 3.45Å; I169-L173 PolarHBondContact O-N 3.08Å; Q170-L173 PolarHBondContact O-N 2.57Å; L173-I176 PolarHBondContact O-N 3.47Å; L173-Q177 PolarHBondContact O-N 3.26Å
174C84.7Confident83.3Confident0 Ų039.7 Ų39.70%023%0.232CC..Hα-helixtrans-64.2-40175.3-71.60000111.6F100 Q170 M171 Q177 V178F100-C174 HydrophobicContact CB-CB 3.93Å; F100-C174 HydrophobicContact CD2-CB 4.36Å; Q170-C174 VanDerWaalsContact O-CB 3.31Å; Q170-C174 WeakPolarHBondContact O-CB 3.3Å; Q170-C174 PolarHBondContact O-N 3.07Å; Q170-C174 PolarHBondContact O-SG 3.3Å; M171-C174 PolarHBondContact O-N 2.96Å; C174-Q177 PolarHBondContact O-N 2.88Å; C174-V178 WeakPolarHBondContact O-CG2 3.28Å; C174-V178 PolarHBondContact O-N 3.19Å
175A87Confident82.2Confident39 Ų3939.5 Ų39.532%0.32223%0.233SC..Hα-helixtrans-62.8-43.9176.200000112.1F100 M171 V172 Q177 V178 V179F100-A175 HydrophobicContact CD2-CB 4.29Å; F100-A175 HydrophobicContact CE2-CB 4.17Å; M171-A175 WeakPolarHBondContact O-CB 3.38Å; M171-A175 PolarHBondContact O-N 2.94Å; V172-A175 PolarHBondContact O-N 2.97Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.77Å; A175-V178 PolarHBondContact O-N 3.31Å; A175-V179 WeakPolarHBondContact O-CG2 3.43Å; A175-V179 PolarHBondContact O-N 2.91Å
176I83.6Confident81Confident70 Ų7042.4 Ų42.436%0.35925%0.245SC..Hα-helixtrans-59.6-43.3173.7-66.2167.4000110.3L10 V172 L173 V178 V179 N180L10-I176 HydrophobicContact CD1-CG2 3.93Å; L10-I176 HydrophobicContact CD2-CG2 4.44Å; V172-I176 HydrophobicContact CG1-CD1 4.04Å; V172-I176 WeakPolarHBondContact O-CG1 3.25Å; V172-I176 PolarHBondContact O-N 3.4Å; L173-I176 PolarHBondContact O-N 3.47Å; I176-V178 VanDerWaalsContact C-N 3.35Å; I176-V178 PolarHBondContact O-N 3.17Å; I176-V179 PolarHBondContact O-N 2.9Å; I176-N180 WeakPolarHBondContact CG2-ND2 3.36Å; I176-N180 WeakPolarHBondContact O-CB 3.2Å; I176-N180 VanDerWaalsContact O-CG 3.26Å; I176-N180 PolarHBondContact O-N 2.99Å; I176-N180 PolarHBondContact O-ND2 3Å
177Q80.8Confident79.5Confident5 Ų545.5 Ų45.52%0.02327%0.266CS..Hα-helixtrans-64.9-36.6177.7-175.665.91100112.5F66 S92 A96 L173 C174 A175 N180 G181F66-Q177 HydrophobicContact CE1-CG 3.69Å; F66-Q177 HydrophobicContact CZ-CG 3.76Å; S92-Q177 PolarHBondContact OG-NE2 3.47Å; S92-Q177 VanDerWaalsContact OG-NE2 3.08Å; A96-Q177 HydrophobicContact CB-CB 4.08Å; A96-Q177 HydrophobicContact CB-CG 3.8Å; L173-Q177 PolarHBondContact O-N 3.26Å; C174-Q177 PolarHBondContact O-N 2.88Å; A175-Q177 VanDerWaalsContact C-N 3.3Å; A175-Q177 PolarHBondContact O-N 2.77Å; Q177-N180 PolarHBondContact O-N 3.15Å; Q177-G181 WeakPolarHBondContact O-CA 3.38Å; Q177-G181 PolarHBondContact O-N 3.18Å
178V84.1Confident77.8Confident30 Ų3047.2 Ų47.218%0.18228%0.284CS..Hα-helixtrans-63.4-46.4175169.90000110.7T93 A96 V97 C174 A175 I176 G181 L182T93-V178 HydrophobicContact CG2-CG1 4.45Å; A96-V178 HydrophobicContact CB-CG2 3.84Å; V97-V178 HydrophobicContact CG2-CG1 4.36Å; V97-V178 HydrophobicContact CG2-CG2 3.65Å; C174-V178 WeakPolarHBondContact O-CG2 3.28Å; C174-V178 PolarHBondContact O-N 3.19Å; A175-V178 PolarHBondContact O-N 3.31Å; I176-V178 VanDerWaalsContact C-N 3.35Å; I176-V178 PolarHBondContact O-N 3.17Å; V178-G181 PolarHBondContact O-N 2.93Å; V178-L182 HydrophobicContact CG1-CD1 3.8Å; V178-L182 HydrophobicContact CG1-CG 4.41Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 VanDerWaalsContact O-CG 3.23Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 3.04Å
179V83.3Confident75.5Confident83 Ų8352.5 Ų52.550%0.50331%0.309SS..Hα-helixtrans-62.1-47176.7176.10000111A175 I176 G181 L182 L183A175-V179 WeakPolarHBondContact O-CG2 3.43Å; A175-V179 PolarHBondContact O-N 2.91Å; I176-V179 PolarHBondContact O-N 2.9Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.32Å; V179-L182 PolarHBondContact O-N 3.25Å; V179-L183 HydrophobicContact CG1-CD1 4Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.42Å; V179-L183 VanDerWaalsContact O-CG 3.31Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 3.39Å
180N76.4Confident73.1Confident31 Ų3154 Ų5417%0.16633%0.325CS..Hα-helixtrans-64.1-37.9178.4-73.8-23.7000112.6T3 I176 Q177 G184T3-N180 HydrophobicContact CG2-CB 4.23Å; I176-N180 WeakPolarHBondContact CG2-ND2 3.36Å; I176-N180 WeakPolarHBondContact O-CB 3.2Å; I176-N180 VanDerWaalsContact O-CG 3.26Å; I176-N180 PolarHBondContact O-N 2.99Å; I176-N180 PolarHBondContact O-ND2 3Å; Q177-N180 PolarHBondContact O-N 3.15Å; N180-G184 PolarHBondContact O-N 3.41Å
181G72.5Confident70.7Confident1 Ų162 Ų621%0.0136%0.362CS..Hα-helixtrans-64.8-47.3175.600000111.9T93 Q177 V178 V179 G184 T185T93-G181 VanDerWaalsContact OG1-CA 3.3Å; T93-G181 WeakPolarHBondContact OG1-CA 3.3Å; Q177-G181 WeakPolarHBondContact O-CA 3.38Å; Q177-G181 PolarHBondContact O-N 3.18Å; V178-G181 PolarHBondContact O-N 2.93Å; V179-G181 VanDerWaalsContact C-N 3.33Å; V179-G181 PolarHBondContact O-N 3.32Å; G181-G184 CarbonylContact O-C 3.48Å; G181-G184 PolarHBondContact O-N 2.92Å; G181-T185 WeakPolarHBondContact O-CG2 3.4Å; G181-T185 PolarHBondContact O-N 3.2Å; G181-T185 PolarHBondContact O-OG1 2.91Å
182L76.2Confident68Low81 Ų8166.8 Ų66.842%0.42440%0.397SS..Hα-helixtrans-63.3-42.8176.2-72.3168000112.6T93 V178 V179 G184 T185 L186T93-L182 HydrophobicContact CG2-CG 4.4Å; V178-L182 HydrophobicContact CG1-CD1 3.8Å; V178-L182 HydrophobicContact CG1-CG 4.41Å; V178-L182 WeakPolarHBondContact O-CB 3.31Å; V178-L182 VanDerWaalsContact O-CG 3.23Å; V178-L182 WeakPolarHBondContact O-CG 3.24Å; V178-L182 PolarHBondContact O-N 3.04Å; V179-L182 PolarHBondContact O-N 3.25Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.3Å; L182-T185 WeakPolarHBondContact CA-OG1 3.37Å; L182-T185 PolarHBondContact O-N 3.43Å; L182-T185 PolarHBondContact O-OG1 2.78Å; L182-L186 VanDerWaalsContact O-CB 3.3Å; L182-L186 WeakPolarHBondContact O-CB 3.12Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.46Å
183L73.1Confident65.2Low92 Ų9267.5 Ų67.548%0.48241%0.405SS..Hα-helixtrans-64.8-36.5173.4-69.5173.3000111.4V179 C187V179-L183 HydrophobicContact CG1-CD1 4Å; V179-L183 HydrophobicContact CG1-CG 4.47Å; V179-L183 WeakPolarHBondContact O-CB 3.42Å; V179-L183 VanDerWaalsContact O-CG 3.31Å; V179-L183 WeakPolarHBondContact O-CG 3.27Å; V179-L183 PolarHBondContact O-N 3.39Å; L183-C187 WeakPolarHBondContact O-CA 3.37Å; L183-C187 VanDerWaalsContact O-CB 3.24Å; L183-C187 WeakPolarHBondContact O-CB 3.44Å; L183-C187 PolarHBondContact O-N 3.31Å
184G65.1Low62.6Low15 Ų1569.7 Ų69.716%0.15543%0.434CS..Hα-helixtrans-67.6-32.2175.100000114N180 G181 L182 G188N180-G184 PolarHBondContact O-N 3.41Å; G181-G184 CarbonylContact O-C 3.48Å; G181-G184 PolarHBondContact O-N 2.92Å; L182-G184 VanDerWaalsContact C-N 3.3Å; L182-G184 PolarHBondContact O-N 3.3Å; G184-G188 WeakPolarHBondContact O-CA 3.34Å; G184-G188 PolarHBondContact O-N 2.99Å
185T66.6Low60.1Low40 Ų4075.9 Ų75.925%0.24548%0.475CS..Hα-helixtrans-83.9-39.4177.755.40000112.6M89 F90 G181 L182M89-T185 HydrophobicContact CB-CG2 4.42Å; F90-T185 HydrophobicContact CB-CG2 4.24Å; G181-T185 WeakPolarHBondContact O-CG2 3.4Å; G181-T185 PolarHBondContact O-N 3.2Å; G181-T185 PolarHBondContact O-OG1 2.91Å; L182-T185 WeakPolarHBondContact CA-OG1 3.37Å; L182-T185 PolarHBondContact O-N 3.43Å; L182-T185 PolarHBondContact O-OG1 2.78Å
186L64.8Low57.6Low142 Ų14280.4 Ų80.474%0.74350%0.503SS*.Hα-helixtrans-83.8-41-178.2-66.7169.9000113.6L182L182-L186 VanDerWaalsContact O-CB 3.3Å; L182-L186 WeakPolarHBondContact O-CB 3.12Å; L182-L186 WeakPolarHBondContact O-CG 3.44Å; L182-L186 PolarHBondContact O-N 3.46Å
187C56.4Low55.1Low81 Ų8180.8 Ų80.855%0.54752%0.524SS..SBendtrans-95.35.9177.5-63.80000113.2L183 D189 C190L183-C187 WeakPolarHBondContact O-CA 3.37Å; L183-C187 VanDerWaalsContact O-CB 3.24Å; L183-C187 WeakPolarHBondContact O-CB 3.44Å; L183-C187 PolarHBondContact O-N 3.31Å; C187-D189 PolarHBondContact O-N 2.83Å; C187-C190 PolarHBondContact O-N 3.24Å
188G51.6Low52.6Low38 Ų3883.6 Ų83.639%0.39256%0.555SS.*THydrogen-bonded Turntrans-68.513.5-18000000115.8R86 G184R86-G188 PolarHBondContact NH2-O 2.64Å; G184-G188 WeakPolarHBondContact O-CA 3.34Å; G184-G188 PolarHBondContact O-N 2.99Å
189D40.5Very low50.1Low128 Ų12890.1 Ų90.168%0.68459%0.589SS**THydrogen-bonded Turntrans-107.25.1169-104.3-35.1000114.6R86 C187R86-D189 IonicContact CZ-OD1 3.99Å; R86-D189 IonicContact CZ-OD2 3.47Å; R86-D189 IonicContact NH1-OD2 3.27Å; R86-D189 PolarHBondContact NH1-OD2 3.27Å; R86-D189 IonicContact NH2-OD1 2.83Å; R86-D189 PolarHBondContact NH2-OD1 3.36Å; R86-D189 IonicContact NH2-OD2 2.78Å; R86-D189 PolarHBondContact NH2-OD2 2.96Å; C187-D189 PolarHBondContact O-N 2.83Å
190C39.3Very low47.8Very low109 Ų10989.4 Ų89.474%0.73660%0.598SS**SBendtrans-107.9111.2177.7-68.80000112.5C187C187-C190 PolarHBondContact O-N 3.24Å
191Q35.2Very low45.8Very low168 Ų16893.8 Ų93.879%0.78563%0.628SS**  trans72.390.9167-76.3172.5-90.700119.1
192C33.4Very low44Very low136 Ų136104 Ų10492%0.91969%0.69SS**  trans-104.260.9136.1-88.20000109.9
193C30.3Very low42.4Very low105 Ų105105.2 Ų105.271%0.70970%0.703SS**  trans-125.8115.8151-96.20000107.1
194G30.6Very low40.8Very low70 Ų70105.9 Ų105.972%0.72272%0.715SS**  trans94.1104.2150.900000119.6
195C32.1Very low39.4Very low129 Ų129110.9 Ų110.987%0.87275%0.746SS**  trans66.7108.1133-60.40000121.9
196C33.3Very low37.9Very low134 Ų134115.1 Ų115.191%0.90578%0.776SS**  -126.7109.2121.6-73.90000108
197G31.5Very low36.2Very low78 Ų78113.4 Ų113.480%0.80478%0.778SS**  trans-84.5-17815900000110.7
198G29.4Very low34.8Very low65 Ų65115.6 Ų115.667%0.6779%0.793SS**  cis-115.5177.2-8.900000110
199D30.7Very low33.6Very low167 Ų167121.1 Ų121.189%0.89382%0.822SS**  -139.8132.166.2-67.5-42.3000112.4
200G34.4Very low33.1Very low67 Ų67120.6 Ų120.669%0.69183%0.832SS**  trans-85169.3136.400000108.1
201P36Very low32.6Very low123 Ų123121.6 Ų121.680%0.79984%0.84SS**  cis-123.2156.51038.5-23.7000113.7
202V34.2Very low32.4Very low217 Ų217117.4 Ų117.4100%1.31585%0.845SS**  -177.40106.9-82.20000109.3

Retrieved 202 of 202 residues in 1397.7 ms (Link to these results)