A0A060WQ36_ONCMY Loading...

Proteolipid protein 2

May play a role in cell differentiation in the intestinal epithelium.

AlphaFold DB , UniProt , Accession A0A060WQ36, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene plp2, Length 153 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.5Low59.4Low198 Ų19893.3 Ų93.398%0.97559%0.589SS**  0-38.60-61.1-160.8176.800110.9D3 T4 E5M1-D3 PolarHBondContact O-N 3.42Å; M1-T4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 3.45Å
2A53.4Low59.9Low67 Ų6790.3 Ų90.355%0.55457%0.572SS**Hα-helixtrans-61.2-34.1171.400000115.1T4 E5 A6A2-T4 VanDerWaalsContact C-N 3.3Å; A2-T4 PolarHBondContact O-N 2.95Å; A2-E5 PolarHBondContact O-N 3.45Å; A2-A6 WeakPolarHBondContact O-CB 3.18Å; A2-A6 PolarHBondContact O-N 3.45Å
3D52.3Low60.8Low136 Ų13692.2 Ų92.273%0.72757%0.574SS**Hα-helixtrans-67-30.9179.3-58.4-76.9000113.3M1 S7M1-D3 PolarHBondContact O-N 3.42Å; D3-S7 VanDerWaalsContact O-CB 3.32Å; D3-S7 WeakPolarHBondContact O-CB 3.45Å; D3-S7 PolarHBondContact O-N 2.95Å; D3-S7 VanDerWaalsContact O-N 3.11Å
4T56.6Low61.9Low97 Ų9796.5 Ų96.560%0.59558%0.584SS**Hα-helixtrans-73-40.3176-46.70000110.6M1 A2 S7 V8M1-T4 PolarHBondContact O-N 3.36Å; A2-T4 VanDerWaalsContact C-N 3.3Å; A2-T4 PolarHBondContact O-N 2.95Å; T4-S7 PolarHBondContact O-N 3.31Å; T4-V8 WeakPolarHBondContact O-CB 3.32Å; T4-V8 WeakPolarHBondContact O-CG2 3.21Å; T4-V8 PolarHBondContact O-N 2.98Å
5E56.9Low62.5Low136 Ų13698.3 Ų98.364%0.63658%0.581SS**Hα-helixtrans-68.2-40177.7-64.3176.3114.200111.9M1 A2 V8 A9M1-E5 PolarHBondContact O-N 3.45Å; A2-E5 PolarHBondContact O-N 3.45Å; E5-V8 PolarHBondContact O-N 3.49Å; E5-A9 WeakPolarHBondContact O-CB 3.1Å; E5-A9 PolarHBondContact O-N 3.41Å
6A58.1Low63Low63 Ų6395.4 Ų95.452%0.52156%0.562SS.*Hα-helixtrans-66.7-39175.600000112.3A2 A9 A10A2-A6 WeakPolarHBondContact O-CB 3.18Å; A2-A6 PolarHBondContact O-N 3.45Å; A6-A9 PolarHBondContact O-N 3.1Å; A6-A10 VanDerWaalsContact O-CB 3.28Å; A6-A10 WeakPolarHBondContact O-CB 3.4Å; A6-A10 PolarHBondContact O-N 2.93Å
7S59.7Low63.5Low86 Ų8699.2 Ų99.260%0.60157%0.57SS**Hα-helixtrans-67.6-41.2175.6-1770000112.1D3 T4 A10 G11D3-S7 VanDerWaalsContact O-CB 3.32Å; D3-S7 WeakPolarHBondContact O-CB 3.45Å; D3-S7 PolarHBondContact O-N 2.95Å; D3-S7 VanDerWaalsContact O-N 3.11Å; T4-S7 PolarHBondContact O-N 3.31Å; S7-A10 PolarHBondContact O-N 3.4Å; S7-G11 PolarHBondContact O-N 3.11Å
8V62.7Low64.2Low98 Ų9896.1 Ų96.159%0.59456%0.562SS**Hα-helixtrans-66.2-42.6174.5171.20000110.9T4 E5 G11 C12T4-V8 WeakPolarHBondContact O-CB 3.32Å; T4-V8 WeakPolarHBondContact O-CG2 3.21Å; T4-V8 PolarHBondContact O-N 2.98Å; E5-V8 PolarHBondContact O-N 3.49Å; V8-G11 PolarHBondContact O-N 3.24Å; V8-C12 WeakPolarHBondContact O-CB 3.28Å; V8-C12 PolarHBondContact O-N 2.83Å
9A61.3Low64.5Low51 Ų5193.2 Ų93.242%0.42154%0.541SS..Hα-helixtrans-65-40.5177.200000112.2E5 A6 C12 L13E5-A9 WeakPolarHBondContact O-CB 3.1Å; E5-A9 PolarHBondContact O-N 3.41Å; A6-A9 PolarHBondContact O-N 3.1Å; A9-C12 PolarHBondContact O-N 3.48Å; A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 PolarHBondContact O-N 3.44Å
10A69.1Low64.8Low58 Ų5890.9 Ų90.948%0.47953%0.529SS..Hα-helixtrans-66-46.4176.400000112A6 S7 C12 L13 E14A6-A10 VanDerWaalsContact O-CB 3.28Å; A6-A10 WeakPolarHBondContact O-CB 3.4Å; A6-A10 PolarHBondContact O-N 2.93Å; S7-A10 PolarHBondContact O-N 3.4Å; A10-C12 VanDerWaalsContact C-N 3.33Å; A10-C12 PolarHBondContact O-N 3.47Å; A10-L13 PolarHBondContact O-N 3.05Å; A10-E14 PolarHBondContact O-N 3.06Å
11G71.6Confident65.2Low36 Ų3695.4 Ų95.437%0.37154%0.542SS..Hα-helixtrans-64.7-37.6175.300000112.6S7 V8 E14 K15S7-G11 PolarHBondContact O-N 3.11Å; V8-G11 PolarHBondContact O-N 3.24Å; G11-E14 PolarHBondContact O-N 2.82Å; G11-K15 WeakPolarHBondContact O-CB 3.48Å; G11-K15 WeakPolarHBondContact O-CG 3.2Å; G11-K15 PolarHBondContact O-N 3.49Å
12C65.6Low66.4Low57 Ų5789.5 Ų89.539%0.38552%0.517SS..Hα-helixtrans-63.2-47.7173.7-165.50000110.4V8 A9 A10 E14 K15 L16 M69V8-C12 WeakPolarHBondContact O-CB 3.28Å; V8-C12 PolarHBondContact O-N 2.83Å; A9-C12 PolarHBondContact O-N 3.48Å; A10-C12 VanDerWaalsContact C-N 3.33Å; A10-C12 PolarHBondContact O-N 3.47Å; C12-E14 VanDerWaalsContact C-N 3.31Å; C12-E14 PolarHBondContact O-N 3.49Å; C12-K15 WeakPolarHBondContact O-CB 3.35Å; C12-K15 PolarHBondContact O-N 3.05Å; C12-L16 WeakPolarHBondContact O-CB 3.35Å; C12-L16 PolarHBondContact O-N 3.41Å; C12-M69 WeakPolarHBondContact SG-CE 3.32Å
13L71.2Confident67.1Low116 Ų11696.5 Ų96.561%0.60753%0.529SS*.Hα-helixtrans-59.1-38.7176.1-104.2162.3000113A9 A10 L16 K17A9-L13 WeakPolarHBondContact O-CB 3.33Å; A9-L13 PolarHBondContact O-N 3.44Å; A10-L13 PolarHBondContact O-N 3.05Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 2.79Å; L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 PolarHBondContact O-N 2.91Å
14E76.9Confident67.8Low152 Ų15294 Ų9471%0.7151%0.512SS*.Hα-helixtrans-68.9-42.4178-129.9-172.3103.500111.9A10 G11 C12 L16 K17 G18A10-E14 PolarHBondContact O-N 3.06Å; G11-E14 PolarHBondContact O-N 2.82Å; C12-E14 VanDerWaalsContact C-N 3.31Å; C12-E14 PolarHBondContact O-N 3.49Å; E14-L16 VanDerWaalsContact C-N 3.33Å; E14-K17 PolarHBondContact O-N 2.99Å; E14-G18 PolarHBondContact O-N 3.3Å
15K71.3Confident68.5Low123 Ų12389.4 Ų89.454%0.53548%0.483SS..Hα-helixtrans-62.1-42.2172.3-74.9-81-177151.60111.4G11 C12 G18 Y19 M69 E71G11-K15 WeakPolarHBondContact O-CB 3.48Å; G11-K15 WeakPolarHBondContact O-CG 3.2Å; G11-K15 PolarHBondContact O-N 3.49Å; C12-K15 WeakPolarHBondContact O-CB 3.35Å; C12-K15 PolarHBondContact O-N 3.05Å; K15-G18 PolarHBondContact O-N 2.86Å; K15-Y19 VanDerWaalsContact O-CB 3.3Å; K15-Y19 WeakPolarHBondContact O-CB 3.29Å; K15-Y19 PolarHBondContact O-N 3.12Å; K15-M69 HydrophobicContact CB-CE 3.94Å; K15-M69 HydrophobicContact CB-SD 4.14Å; K15-E71 IonicContact NZ-OE2 2.71Å
16L69.6Low69.4Low53 Ų5386.3 Ų86.328%0.27747%0.474SS..Hα-helixtrans-62.2-45.6176.6-149.7153.9000110.5C12 L13 E14 G18 Y19 V20 F65 M69C12-L16 WeakPolarHBondContact O-CB 3.35Å; C12-L16 PolarHBondContact O-N 3.41Å; L13-L16 WeakPolarHBondContact O-CB 3.4Å; L13-L16 PolarHBondContact O-N 2.79Å; E14-L16 VanDerWaalsContact C-N 3.33Å; L16-G18 PolarHBondContact O-N 2.91Å; L16-Y19 PolarHBondContact O-N 3.46Å; L16-V20 HydrophobicContact CD2-CG2 3.85Å; L16-V20 WeakPolarHBondContact O-CB 3.17Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.34Å; L16-F65 HydrophobicContact CD1-CE1 3.57Å; L16-F65 HydrophobicContact CD1-CZ 3.8Å; L16-F65 HydrophobicContact CD2-CE1 4.34Å; L16-F65 HydrophobicContact CD2-CZ 3.69Å; L16-F65 HydrophobicContact CG-CE1 3.72Å; L16-F65 HydrophobicContact CG-CZ 3.43Å; L16-F65 VanDerWaalsContact CG-CZ 3.43Å; L16-M69 HydrophobicContact CB-CE 4.31Å; L16-M69 HydrophobicContact CB-SD 4.15Å; L16-M69 HydrophobicContact CG-SD 4.34Å
17K72.5Confident70.3Confident160 Ų16084.6 Ų84.670%0.69646%0.455SS*.Hα-helixtrans-64.4-39.4176.1-169.9179.2-176.5-174.20112.2L13 E14 K21L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 PolarHBondContact O-N 2.91Å; E14-K17 PolarHBondContact O-N 2.99Å; K17-K21 WeakPolarHBondContact O-CB 3.3Å; K17-K21 PolarHBondContact O-N 3.27Å
18G76.2Confident70.9Confident42 Ų4280.6 Ų80.643%0.43343%0.428SS..Hα-helixtrans-65.5-41.9172.900000112.5E14 K15 L16 K21 T22E14-G18 PolarHBondContact O-N 3.3Å; K15-G18 PolarHBondContact O-N 2.86Å; L16-G18 PolarHBondContact O-N 2.91Å; G18-K21 WeakPolarHBondContact O-CB 3.45Å; G18-K21 PolarHBondContact O-N 3.45Å; G18-T22 PolarHBondContact O-OG1 3.32Å
19Y68.2Low71.6Confident41 Ų4176.9 Ų76.916%0.16141%0.407CS..Hα-helixtrans-70.8-44.5-179.9-169.1-104.7000112.2K15 L16 K21 T22 G25 F65 F68K15-Y19 VanDerWaalsContact O-CB 3.3Å; K15-Y19 WeakPolarHBondContact O-CB 3.29Å; K15-Y19 PolarHBondContact O-N 3.12Å; L16-Y19 PolarHBondContact O-N 3.46Å; Y19-K21 PolarHBondContact O-N 3.01Å; Y19-T22 WeakPolarHBondContact O-CA 3.21Å; Y19-T22 WeakPolarHBondContact O-CB 3.25Å; Y19-T22 PolarHBondContact O-N 2.96Å; Y19-G25 WeakPolarHBondContact O-CA 3.38Å; Y19-F65 HydrophobicContact CD1-CE2 4.32Å; Y19-F68 HydrophobicContact CE1-CB 4.33Å; Y19-F68 HydrophobicContact CE2-CB 4.42Å; Y19-F68 WeakPolarHBondContact OH-CB 2.95Å; Y19-F68 WeakPolarHBondContact OH-CD1 3.37Å; Y19-F68 WeakPolarHBondContact OH-CG 3.28Å
20V70.9Confident72.5Confident48 Ų4876.2 Ų76.229%0.29140%0.402SS..Hα-helixtrans-58.8-29.3174.21680000111.8L16 T22 T26 A29L16-V20 HydrophobicContact CD2-CG2 3.85Å; L16-V20 WeakPolarHBondContact O-CB 3.17Å; L16-V20 WeakPolarHBondContact O-CG2 3.5Å; L16-V20 PolarHBondContact O-N 3.34Å; V20-T22 PolarHBondContact O-N 3.43Å; V20-T26 WeakPolarHBondContact O-CA 3.45Å; V20-T26 WeakPolarHBondContact O-CB 3.42Å; V20-T26 PolarHBondContact O-N 2.79Å; V20-T26 PolarHBondContact O-OG1 3.28Å; V20-A29 HydrophobicContact CG2-CB 4.01Å
21K74.2Confident72.9Confident186 Ų18673.6 Ų73.681%0.80938%0.379SS*.THydrogen-bonded Turntrans-72.7-17.8174.9-164.6171.3-177.6177.60113K17 G18 Y19K17-K21 WeakPolarHBondContact O-CB 3.3Å; K17-K21 PolarHBondContact O-N 3.27Å; G18-K21 WeakPolarHBondContact O-CB 3.45Å; G18-K21 PolarHBondContact O-N 3.45Å; Y19-K21 PolarHBondContact O-N 3.01Å
22T76.3Confident73.2Confident73 Ų7373.5 Ų73.545%0.44837%0.37SS..SBendtrans-79.4141.9175-550000109.7G18 Y19 V20 K24 G25 T26G18-T22 PolarHBondContact O-OG1 3.32Å; Y19-T22 WeakPolarHBondContact O-CA 3.21Å; Y19-T22 WeakPolarHBondContact O-CB 3.25Å; Y19-T22 PolarHBondContact O-N 2.96Å; V20-T22 PolarHBondContact O-N 3.43Å; T22-K24 PolarHBondContact O-N 2.86Å; T22-G25 PolarHBondContact O-N 3.25Å; T22-T26 PolarHBondContact O-N 3.43Å; T22-T26 PolarHBondContact O-OG1 2.8Å
23R67.2Low73.9Confident215 Ų21576.2 Ų76.281%0.81138%0.38SS*.Hα-helixtrans-51.2-38.1-176.3-145.8177.9-152.2-171.15113.6I27R23-I27 WeakPolarHBondContact O-CD1 3.44Å; R23-I27 WeakPolarHBondContact O-CG1 3.2Å
24K67.3Low74.3Confident84 Ų8472.2 Ų72.237%0.36536%0.359SS..Hα-helixtrans-71.8-44.5175.6-66.1-163.9173.2-166.70112.7T22 T26 I27 L28T22-K24 PolarHBondContact O-N 2.86Å; K24-T26 VanDerWaalsContact C-N 3.33Å; K24-T26 PolarHBondContact O-N 3.2Å; K24-I27 PolarHBondContact O-N 3.35Å; K24-L28 PolarHBondContact O-N 2.86Å; K24-L28 VanDerWaalsContact O-N 3.11Å
25G71.1Confident74.2Confident0 Ų065 Ų650%033%0.325CS..Hα-helixtrans-68.3-30.4-179.500000113.3Y19 T22 A29Y19-G25 WeakPolarHBondContact O-CA 3.38Å; T22-G25 PolarHBondContact O-N 3.25Å; G25-A29 WeakPolarHBondContact O-CB 3.21Å; G25-A29 PolarHBondContact O-N 3.05Å
26T76.4Confident74.5Confident70 Ų7063.9 Ų63.943%0.42932%0.32SS..Hα-helixtrans-64.7-42.3173.7-38.20000111.7V20 T22 K24 A29 A30V20-T26 WeakPolarHBondContact O-CA 3.45Å; V20-T26 WeakPolarHBondContact O-CB 3.42Å; V20-T26 PolarHBondContact O-N 2.79Å; V20-T26 PolarHBondContact O-OG1 3.28Å; T22-T26 PolarHBondContact O-N 3.43Å; T22-T26 PolarHBondContact O-OG1 2.8Å; K24-T26 VanDerWaalsContact C-N 3.33Å; K24-T26 PolarHBondContact O-N 3.2Å; T26-A29 PolarHBondContact O-N 3.27Å; T26-A30 WeakPolarHBondContact O-CB 3.48Å; T26-A30 PolarHBondContact O-N 3.34Å
27I77.6Confident75Confident27 Ų2764.8 Ų64.814%0.13833%0.325CS..Hα-helixtrans-67.3-46.8-179.8-60.2165.8000109.9R23 K24 A29 A30 E31 D130 T133R23-I27 WeakPolarHBondContact O-CD1 3.44Å; R23-I27 WeakPolarHBondContact O-CG1 3.2Å; K24-I27 PolarHBondContact O-N 3.35Å; I27-A29 VanDerWaalsContact C-N 3.3Å; I27-A29 PolarHBondContact O-N 2.99Å; I27-A30 WeakPolarHBondContact O-CB 3.45Å; I27-A30 PolarHBondContact O-N 2.81Å; I27-A30 VanDerWaalsContact O-N 3.13Å; I27-E31 PolarHBondContact O-N 3.48Å; I27-D130 HydrophobicContact CG2-CB 3.63Å; I27-D130 WeakPolarHBondContact CG2-OD2 3.14Å; I27-T133 HydrophobicContact CD1-CG2 4.11Å
28L72.6Confident75.1Confident3 Ų357.1 Ų57.12%0.01629%0.292CS..Hα-helixtrans-63.7-35.6178.9-148.9123.5000112.3K24 E31 I32 F65 F68K24-L28 PolarHBondContact O-N 2.86Å; K24-L28 VanDerWaalsContact O-N 3.11Å; L28-E31 WeakPolarHBondContact O-CB 3.44Å; L28-E31 PolarHBondContact O-N 3.34Å; L28-I32 HydrophobicContact CD2-CD1 4.19Å; L28-I32 WeakPolarHBondContact O-CG1 3.32Å; L28-I32 PolarHBondContact O-N 2.79Å; L28-I32 VanDerWaalsContact O-N 3.12Å; L28-F65 HydrophobicContact CD2-CB 4.09Å; L28-F65 HydrophobicContact CD2-CD2 3.62Å; L28-F65 HydrophobicContact CD2-CG 4.38Å; L28-F68 HydrophobicContact CD1-CD2 4.49Å; L28-F68 HydrophobicContact CD1-CE2 4.49Å
29A77.2Confident75Confident20 Ų2057.1 Ų57.117%0.16528%0.281CS..Hα-helixtrans-69-39.5173.600000112.5V20 G25 T26 I27 E31 I32 L33V20-A29 HydrophobicContact CG2-CB 4.01Å; G25-A29 WeakPolarHBondContact O-CB 3.21Å; G25-A29 PolarHBondContact O-N 3.05Å; T26-A29 PolarHBondContact O-N 3.27Å; I27-A29 VanDerWaalsContact C-N 3.3Å; I27-A29 PolarHBondContact O-N 2.99Å; A29-E31 VanDerWaalsContact C-N 3.31Å; A29-I32 PolarHBondContact O-N 2.94Å; A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.38Å
30A80.6Confident75.5Confident37 Ų3759.4 Ų59.431%0.30630%0.295SS..Hα-helixtrans-63.5-39.217500000111.4T26 I27 L33 I34 L126T26-A30 WeakPolarHBondContact O-CB 3.48Å; T26-A30 PolarHBondContact O-N 3.34Å; I27-A30 WeakPolarHBondContact O-CB 3.45Å; I27-A30 PolarHBondContact O-N 2.81Å; I27-A30 VanDerWaalsContact O-N 3.13Å; A30-L33 PolarHBondContact O-N 2.94Å; A30-I34 WeakPolarHBondContact O-CB 3.41Å; A30-I34 PolarHBondContact O-N 3.3Å; A30-L126 HydrophobicContact CB-CD2 4.02Å
31E76.1Confident75.6Confident2 Ų258.3 Ų58.31%0.00929%0.29CS..Hα-helixtrans-60.6-47.9175.1-172.6179.2107.800112.2I27 L28 A29 L33 I34 S35 R88 L126 F127I27-E31 PolarHBondContact O-N 3.48Å; L28-E31 WeakPolarHBondContact O-CB 3.44Å; L28-E31 PolarHBondContact O-N 3.34Å; A29-E31 VanDerWaalsContact C-N 3.31Å; E31-L33 PolarHBondContact O-N 3.44Å; E31-I34 PolarHBondContact O-N 3.42Å; E31-S35 WeakPolarHBondContact O-CB 3.47Å; E31-S35 PolarHBondContact O-N 2.88Å; E31-S35 PolarHBondContact O-OG 3.48Å; E31-R88 IonicContact OE1-CZ 3.72Å; E31-R88 IonicContact OE1-NE 3.95Å; E31-R88 IonicContact OE1-NH2 3.49Å; E31-R88 PolarHBondContact OE1-NH2 3.29Å; E31-L126 HydrophobicContact CB-CD2 4.46Å; E31-F127 HydrophobicContact CG-CD1 3.92Å; E31-F127 HydrophobicContact CG-CD2 4.25Å; E31-F127 HydrophobicContact CG-CE1 3.37Å; E31-F127 HydrophobicContact CG-CE2 3.64Å; E31-F127 HydrophobicContact CG-CG 4.37Å; E31-F127 HydrophobicContact CG-CZ 3.18Å; E31-F127 WeakPolarHBondContact OE1-CE1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CD1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CE1 3.33Å
32I78.2Confident75.3Confident35 Ų3550 Ų5018%0.17925%0.253CS..Hα-helixtrans-60.9-45176.3-68.1164.7000110.9L28 A29 S35 F36 A61 F65L28-I32 HydrophobicContact CD2-CD1 4.19Å; L28-I32 WeakPolarHBondContact O-CG1 3.32Å; L28-I32 PolarHBondContact O-N 2.79Å; L28-I32 VanDerWaalsContact O-N 3.12Å; A29-I32 PolarHBondContact O-N 2.94Å; I32-S35 PolarHBondContact O-N 3.26Å; I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 PolarHBondContact O-N 3.49Å; I32-A61 HydrophobicContact CG1-CB 3.84Å; I32-F65 HydrophobicContact CD1-CB 4.22Å; I32-F65 HydrophobicContact CD1-CD2 3.95Å; I32-F65 HydrophobicContact CD1-CG 4.2Å
33L80.3Confident75Confident113 Ų11350.1 Ų50.159%0.59226%0.262SS*.Hα-helixtrans-62.3-44.6179.3-77.8174000112.1A29 A30 E31 F36 I37A29-L33 WeakPolarHBondContact O-CG 3.36Å; A29-L33 PolarHBondContact O-N 3.38Å; A30-L33 PolarHBondContact O-N 2.94Å; E31-L33 PolarHBondContact O-N 3.44Å; L33-F36 PolarHBondContact O-N 3.42Å; L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.43Å; L33-I37 PolarHBondContact O-N 2.8Å
34I79.3Confident75.1Confident32 Ų3243.6 Ų43.616%0.16425%0.254CS..Hα-helixtrans-64.5-42.9177.6-108.2166.8000110.9A30 E31 F36 I37 I38 A123 L126A30-I34 WeakPolarHBondContact O-CB 3.41Å; A30-I34 PolarHBondContact O-N 3.3Å; E31-I34 PolarHBondContact O-N 3.42Å; I34-F36 VanDerWaalsContact C-N 3.29Å; I34-F36 PolarHBondContact O-N 3.27Å; I34-I37 PolarHBondContact O-N 3.49Å; I34-I38 HydrophobicContact CG2-CD1 4.05Å; I34-I38 WeakPolarHBondContact O-CG1 3.19Å; I34-I38 PolarHBondContact O-N 3.26Å; I34-A123 HydrophobicContact CG2-CB 3.35Å; I34-L126 HydrophobicContact CD1-CD1 4.44Å; I34-L126 HydrophobicContact CD1-CD2 4.08Å
35S75.4Confident75Confident0 Ų040.2 Ų40.20%024%0.241CC..Hα-helixtrans-61.8-39.8178.6-57.90000111.2E31 I32 I38 L39 Y96E31-S35 WeakPolarHBondContact O-CB 3.47Å; E31-S35 PolarHBondContact O-N 2.88Å; E31-S35 PolarHBondContact O-OG 3.48Å; I32-S35 PolarHBondContact O-N 3.26Å; S35-I38 PolarHBondContact O-N 2.93Å; S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.46Å; S35-Y96 WeakPolarHBondContact CA-OH 3.38Å; S35-Y96 VanDerWaalsContact CB-OH 3.27Å; S35-Y96 WeakPolarHBondContact CB-OH 3.41Å; S35-Y96 PolarHBondContact OG-OH 3.39Å
36F77.8Confident74.3Confident100 Ų10049 Ų4944%0.43929%0.287SS..Hα-helixtrans-64.7-43.2175.7-173.1-109.1000112.6I32 L33 I34 I38 L39 I40 M58I32-F36 WeakPolarHBondContact O-CB 3.21Å; I32-F36 PolarHBondContact O-N 3.49Å; L33-F36 PolarHBondContact O-N 3.42Å; I34-F36 VanDerWaalsContact C-N 3.29Å; I34-F36 PolarHBondContact O-N 3.27Å; F36-I38 VanDerWaalsContact C-N 3.3Å; F36-I38 PolarHBondContact O-N 2.92Å; F36-L39 WeakPolarHBondContact O-CB 3.44Å; F36-L39 PolarHBondContact O-N 3.19Å; F36-I40 HydrophobicContact CD1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CD1 3.41Å; F36-I40 VanDerWaalsContact CE1-CD1 3.41Å; F36-I40 HydrophobicContact CE1-CG1 4.39Å; F36-I40 HydrophobicContact CG-CD1 4.49Å; F36-I40 HydrophobicContact CZ-CD1 3.88Å; F36-I40 HydrophobicContact CZ-CG1 4.49Å; F36-I40 WeakPolarHBondContact O-CG1 3.49Å; F36-I40 PolarHBondContact O-N 2.87Å; F36-M58 HydrophobicContact CB-SD 4.41Å; F36-M58 HydrophobicContact CD2-CE 3.94Å; F36-M58 HydrophobicContact CD2-SD 4.34Å
37I80.2Confident73.5Confident72 Ų7252.2 Ų52.237%0.36929%0.292SS..Hα-helixtrans-61.1-41.9175.7-68164.7000110.8L33 I34 I40 C41 F119L33-I37 VanDerWaalsContact O-CG1 3.3Å; L33-I37 WeakPolarHBondContact O-CG1 3.43Å; L33-I37 PolarHBondContact O-N 2.8Å; I34-I37 PolarHBondContact O-N 3.49Å; I37-I40 PolarHBondContact O-N 3.38Å; I37-C41 PolarHBondContact O-N 3.33Å; I37-F119 HydrophobicContact CG2-CD1 4.28Å; I37-F119 HydrophobicContact CG2-CD2 4.45Å; I37-F119 HydrophobicContact CG2-CE1 4.42Å; I37-F119 HydrophobicContact CG2-CG 4.31Å
38I75.3Confident72.3Confident0 Ų053.4 Ų53.40%031%0.311CS..Hα-helixtrans-66.2-40.8178-65.8162.9000111.1I34 S35 F36 I40 C41 Y42 Y96 F119 A123I34-I38 HydrophobicContact CG2-CD1 4.05Å; I34-I38 WeakPolarHBondContact O-CG1 3.19Å; I34-I38 PolarHBondContact O-N 3.26Å; S35-I38 PolarHBondContact O-N 2.93Å; F36-I38 VanDerWaalsContact C-N 3.3Å; F36-I38 PolarHBondContact O-N 2.92Å; I38-I40 VanDerWaalsContact C-N 3.33Å; I38-I40 PolarHBondContact O-N 3.45Å; I38-C41 WeakPolarHBondContact O-CB 3.33Å; I38-C41 PolarHBondContact O-N 2.87Å; I38-Y42 HydrophobicContact CG2-CD2 3.51Å; I38-Y42 HydrophobicContact CG2-CE2 3.27Å; I38-Y42 WeakPolarHBondContact O-CD2 3.46Å; I38-Y42 PolarHBondContact O-N 3.29Å; I38-Y96 HydrophobicContact CB-CE1 4.08Å; I38-Y96 HydrophobicContact CD1-CD1 3.8Å; I38-Y96 HydrophobicContact CD1-CE1 3.55Å; I38-Y96 HydrophobicContact CD1-CG 4.49Å; I38-Y96 HydrophobicContact CG1-CE1 4.4Å; I38-Y96 HydrophobicContact CG2-CD1 4.24Å; I38-Y96 HydrophobicContact CG2-CE1 3.61Å; I38-F119 HydrophobicContact CD1-CB 4.49Å; I38-F119 HydrophobicContact CG1-CB 3.81Å; I38-A123 HydrophobicContact CD1-CB 3.55Å
39L73.8Confident71.7Confident41 Ų4156 Ų5622%0.21534%0.339CS..Hα-helixtrans-59.4-45.1174.8-164.2163000110.8S35 F36 C41 Y42 A43 A54 I55 M58S35-L39 WeakPolarHBondContact O-CB 3.39Å; S35-L39 PolarHBondContact O-N 3.46Å; F36-L39 WeakPolarHBondContact O-CB 3.44Å; F36-L39 PolarHBondContact O-N 3.19Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 3.27Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 PolarHBondContact O-N 2.92Å; L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 2.97Å; L39-A54 HydrophobicContact CB-CB 4.19Å; L39-A54 HydrophobicContact CD1-CB 4.46Å; L39-A54 HydrophobicContact CG-CB 4.18Å; L39-I55 HydrophobicContact CD1-CG1 4.23Å; L39-M58 HydrophobicContact CD1-CG 3.92Å
40I77.7Confident71Confident89 Ų8958.7 Ų58.746%0.45635%0.345SS..Hα-helixtrans-61.7-42.6175.8-66.4167000111.1F36 I37 I38 Y42 A43 A44F36-I40 HydrophobicContact CD1-CD1 3.75Å; F36-I40 HydrophobicContact CE1-CD1 3.41Å; F36-I40 VanDerWaalsContact CE1-CD1 3.41Å; F36-I40 HydrophobicContact CE1-CG1 4.39Å; F36-I40 HydrophobicContact CG-CD1 4.49Å; F36-I40 HydrophobicContact CZ-CD1 3.88Å; F36-I40 HydrophobicContact CZ-CG1 4.49Å; F36-I40 WeakPolarHBondContact O-CG1 3.49Å; F36-I40 PolarHBondContact O-N 2.87Å; I37-I40 PolarHBondContact O-N 3.38Å; I38-I40 VanDerWaalsContact C-N 3.33Å; I38-I40 PolarHBondContact O-N 3.45Å; I40-Y42 VanDerWaalsContact C-N 3.33Å; I40-Y42 PolarHBondContact O-N 3.33Å; I40-A43 PolarHBondContact O-N 3.47Å; I40-A44 WeakPolarHBondContact O-CB 3.31Å; I40-A44 PolarHBondContact O-N 3.5Å
41C73.1Confident70.3Confident25 Ų2558.6 Ų58.617%0.16934%0.342CS..Hα-helixtrans-60.5-41.7174.7-80.90000112.1I37 I38 L39 S45I37-C41 PolarHBondContact O-N 3.33Å; I38-C41 WeakPolarHBondContact O-CB 3.33Å; I38-C41 PolarHBondContact O-N 2.87Å; L39-C41 VanDerWaalsContact C-N 3.35Å; L39-C41 PolarHBondContact O-N 3.27Å; C41-S45 PolarHBondContact O-N 2.93Å; C41-S45 VanDerWaalsContact O-N 3.15Å
42Y69Low70Confident11 Ų1161.2 Ų61.24%0.04336%0.364CS..Hα-helixtrans-71-33.8176.3-78.5-50.5000113.2I38 L39 I40 S45 A54 T99 C103I38-Y42 HydrophobicContact CG2-CD2 3.51Å; I38-Y42 HydrophobicContact CG2-CE2 3.27Å; I38-Y42 WeakPolarHBondContact O-CD2 3.46Å; I38-Y42 PolarHBondContact O-N 3.29Å; L39-Y42 CarbonylContact O-C 3.59Å; L39-Y42 PolarHBondContact O-N 2.92Å; I40-Y42 VanDerWaalsContact C-N 3.33Å; I40-Y42 PolarHBondContact O-N 3.33Å; Y42-S45 PolarHBondContact O-N 3.23Å; Y42-A54 HydrophobicContact CD2-CB 4.44Å; Y42-T99 HydrophobicContact CE1-CG2 4.32Å; Y42-T99 HydrophobicContact CE2-CG2 4.12Å; Y42-T99 WeakPolarHBondContact OH-CG2 3.31Å; Y42-C103 VanDerWaalsContact CE1-SG 3.53Å; Y42-C103 PolarHBondContact OH-SG 3.29Å
43A69.1Low69.5Low77 Ų7761.4 Ų61.464%0.63637%0.367SS*.Hα-helixtrans-69.7-34.3175.400000112.1L39 I40 S45L39-A43 WeakPolarHBondContact O-CB 3.48Å; L39-A43 PolarHBondContact O-N 2.97Å; I40-A43 PolarHBondContact O-N 3.47Å; A43-S45 VanDerWaalsContact C-N 3.28Å
44A69.6Low69Low78 Ų7856 Ų5665%0.64534%0.339SS*.Hα-helixtrans-73.4-21.1173.400000112.7I40I40-A44 WeakPolarHBondContact O-CB 3.31Å; I40-A44 PolarHBondContact O-N 3.5Å
45S65.3Low68.8Low13 Ų1358.7 Ų58.79%0.09135%0.353CS..SBendtrans-90.6132.7175.8-168.60000111.1C41 Y42 A43 Y47 R113C41-S45 PolarHBondContact O-N 2.93Å; C41-S45 VanDerWaalsContact O-N 3.15Å; Y42-S45 PolarHBondContact O-N 3.23Å; A43-S45 VanDerWaalsContact C-N 3.28Å; S45-Y47 PolarHBondContact O-N 3.29Å; S45-R113 WeakPolarHBondContact OG-CG 3.18Å
46L55.7Low68.6Low185 Ų18562.1 Ų62.197%0.96938%0.376SS*.SBendtrans-64.2-3.5179.1-80.5155.6000114.5G48L46-G48 PolarHBondContact O-N 2.92Å
47Y59.2Low68.3Low137 Ų13758.2 Ų58.254%0.53736%0.359SS..  trans-8874.3178.1-110.9-93.3000111.6S45 G49S45-Y47 PolarHBondContact O-N 3.29Å; Y47-G49 PolarHBondContact O-N 3.42Å
48G53.8Low67.8Low51 Ų5156.4 Ų56.453%0.52635%0.349SS..THydrogen-bonded Turntrans-68.85.2-178.300000116.7L46 S51L46-G48 PolarHBondContact O-N 2.92Å; G48-S51 PolarHBondContact O-OG 3.31Å
49G59.1Low67.9Low59 Ų5960 Ų6061%0.60837%0.371SS*.THydrogen-bonded Turntrans-72.3-27.6-179.600000114.2Y47Y47-G49 PolarHBondContact O-N 3.42Å
50Y63.1Low67.7Low75 Ų7563.6 Ų63.629%0.29439%0.385SS..SBendtrans-102.3-5.9-175.4-62.3-73.1000113.9A52 V53 T99 I102Y50-A52 PolarHBondContact O-N 3.11Å; Y50-V53 PolarHBondContact O-N 3.48Å; Y50-T99 HydrophobicContact CD1-CG2 3.57Å; Y50-T99 HydrophobicContact CD2-CG2 4.47Å; Y50-T99 HydrophobicContact CE1-CG2 4.37Å; Y50-T99 HydrophobicContact CG-CG2 3.63Å; Y50-I102 HydrophobicContact CE1-CD1 3.93Å; Y50-I102 HydrophobicContact CE2-CG2 4.13Å; Y50-I102 WeakPolarHBondContact OH-CG2 3.41Å
51S65.4Low67.3Low35 Ų3559.5 Ų59.525%0.24536%0.364CS..Hα-helixtrans-64-31175.656.20000111.9G48 V53 A54 I55G48-S51 PolarHBondContact O-OG 3.31Å; S51-V53 VanDerWaalsContact C-N 3.29Å; S51-V53 PolarHBondContact O-N 2.89Å; S51-A54 PolarHBondContact O-N 3.34Å; S51-I55 WeakPolarHBondContact O-CB 3.49Å; S51-I55 WeakPolarHBondContact O-CD1 3.39Å; S51-I55 WeakPolarHBondContact O-CG1 3.45Å; S51-I55 PolarHBondContact O-N 3.28Å
52A69.3Low67.2Low57 Ų5762.3 Ų62.347%0.47138%0.377SS..Hα-helixtrans-58.9-39.8176.200000112.5Y50 I55 C56Y50-A52 PolarHBondContact O-N 3.11Å; A52-I55 PolarHBondContact O-N 3.45Å; A52-C56 WeakPolarHBondContact O-CB 3.36Å; A52-C56 PolarHBondContact O-N 3.35Å; A52-C56 PolarHBondContact O-SG 3.49Å; A52-C56 VanDerWaalsContact O-SG 3.33Å
53V68.9Low67.5Low39 Ų3966 Ų6624%0.23640%0.396CS..Hα-helixtrans-63.5-49.7176.2170.10000110.2Y50 S51 I55 C56 E57 L95Y50-V53 PolarHBondContact O-N 3.48Å; S51-V53 VanDerWaalsContact C-N 3.29Å; S51-V53 PolarHBondContact O-N 2.89Å; V53-I55 VanDerWaalsContact C-N 3.31Å; V53-I55 PolarHBondContact O-N 2.97Å; V53-C56 PolarHBondContact O-N 3.45Å; V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.35Å; V53-L95 HydrophobicContact CG1-CB 3.91Å; V53-L95 HydrophobicContact CG1-CD1 4.13Å; V53-L95 HydrophobicContact CG1-CG 4.43Å
54A69.1Low67.4Low1 Ų163.6 Ų63.61%0.00837%0.371CS..Hα-helixtrans-62.8-36.217900000112.8L39 Y42 S51 M58L39-A54 HydrophobicContact CB-CB 4.19Å; L39-A54 HydrophobicContact CD1-CB 4.46Å; L39-A54 HydrophobicContact CG-CB 4.18Å; Y42-A54 HydrophobicContact CD2-CB 4.44Å; S51-A54 PolarHBondContact O-N 3.34Å; A54-M58 WeakPolarHBondContact O-CB 3.06Å; A54-M58 WeakPolarHBondContact O-CG 3.49Å; A54-M58 PolarHBondContact O-N 2.99Å
55I74.3Confident67.4Low88 Ų8861.1 Ų61.145%0.45135%0.346SS..Hα-helixtrans-67.8-48.2176.1-67.4161.9000110.4L39 S51 A52 V53 E57 M58 V59L39-I55 HydrophobicContact CD1-CG1 4.23Å; S51-I55 WeakPolarHBondContact O-CB 3.49Å; S51-I55 WeakPolarHBondContact O-CD1 3.39Å; S51-I55 WeakPolarHBondContact O-CG1 3.45Å; S51-I55 PolarHBondContact O-N 3.28Å; A52-I55 PolarHBondContact O-N 3.45Å; V53-I55 VanDerWaalsContact C-N 3.31Å; V53-I55 PolarHBondContact O-N 2.97Å; I55-E57 VanDerWaalsContact C-N 3.3Å; I55-E57 PolarHBondContact O-N 3.12Å; I55-M58 PolarHBondContact O-N 2.94Å; I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.34Å; I55-V59 PolarHBondContact O-N 2.78Å
56C72.3Confident67.5Low71 Ų7164 Ų6448%0.4836%0.363SS..Hα-helixtrans-58.3-44.6176.2-75.30000111.2A52 V53 M58 V59 F60A52-C56 WeakPolarHBondContact O-CB 3.36Å; A52-C56 PolarHBondContact O-N 3.35Å; A52-C56 PolarHBondContact O-SG 3.49Å; A52-C56 VanDerWaalsContact O-SG 3.33Å; V53-C56 PolarHBondContact O-N 3.45Å; C56-M58 PolarHBondContact O-N 3.37Å; C56-V59 PolarHBondContact O-N 2.71Å; C56-F60 WeakPolarHBondContact O-CD2 3.24Å; C56-F60 PolarHBondContact O-N 3.2Å
57E70.8Confident68.1Low18 Ų1856.5 Ų56.58%0.08433%0.325CS..Hα-helixtrans-62.5-43.9179.5-154.8123.3127.700112.2V53 I55 V59 F60 A61 G92 Y96 F127V53-E57 WeakPolarHBondContact O-CB 3.48Å; V53-E57 PolarHBondContact O-N 3.35Å; I55-E57 VanDerWaalsContact C-N 3.3Å; I55-E57 PolarHBondContact O-N 3.12Å; E57-V59 PolarHBondContact O-N 3.17Å; E57-F60 PolarHBondContact O-N 3.38Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.3Å; E57-G92 VanDerWaalsContact CD-CA 3.41Å; E57-G92 WeakPolarHBondContact OE1-CA 3.14Å; E57-G92 WeakPolarHBondContact OE2-CA 3.37Å; E57-Y96 HydrophobicContact CG-CE2 4.01Å; E57-Y96 WeakPolarHBondContact OE1-CD2 3.5Å; E57-Y96 WeakPolarHBondContact OE1-CE2 3.36Å; E57-F127 HydrophobicContact CG-CZ 4.39Å
58M70.4Confident68.2Low35 Ų3551.3 Ų51.317%0.17231%0.305CS..Hα-helixtrans-58.1-46.1172.8-92-87.6-70.100112.1F36 L39 A54 I55 C56 A61 I62F36-M58 HydrophobicContact CB-SD 4.41Å; F36-M58 HydrophobicContact CD2-CE 3.94Å; F36-M58 HydrophobicContact CD2-SD 4.34Å; L39-M58 HydrophobicContact CD1-CG 3.92Å; A54-M58 WeakPolarHBondContact O-CB 3.06Å; A54-M58 WeakPolarHBondContact O-CG 3.49Å; A54-M58 PolarHBondContact O-N 2.99Å; I55-M58 PolarHBondContact O-N 2.94Å; C56-M58 PolarHBondContact O-N 3.37Å; M58-A61 PolarHBondContact O-N 2.85Å; M58-I62 HydrophobicContact CE-CD1 4.33Å; M58-I62 WeakPolarHBondContact O-CB 3.48Å; M58-I62 WeakPolarHBondContact O-CD1 3.41Å; M58-I62 WeakPolarHBondContact O-CG1 3.46Å; M58-I62 PolarHBondContact O-N 3.16Å
59V77.8Confident68.6Low74 Ų7450.5 Ų50.545%0.44829%0.288SS..Hα-helixtrans-62.5-45178.5171.90000110.6I55 C56 E57 I62 I63I55-V59 VanDerWaalsContact O-CG2 3.31Å; I55-V59 WeakPolarHBondContact O-CG2 3.34Å; I55-V59 PolarHBondContact O-N 2.78Å; C56-V59 PolarHBondContact O-N 2.71Å; E57-V59 PolarHBondContact O-N 3.17Å; V59-I62 PolarHBondContact O-N 3.35Å; V59-I63 HydrophobicContact CG1-CD1 3.79Å; V59-I63 HydrophobicContact CG1-CG1 4.45Å; V59-I63 VanDerWaalsContact O-CG1 3.25Å; V59-I63 WeakPolarHBondContact O-CG1 3.18Å; V59-I63 PolarHBondContact O-N 2.95Å
60F69.6Low68.6Low118 Ų11854.2 Ų54.252%0.51829%0.291SS..Hα-helixtrans-62.5-44.1176.4-84.2-66.9000112.4C56 E57 I62 I63 F64C56-F60 WeakPolarHBondContact O-CD2 3.24Å; C56-F60 PolarHBondContact O-N 3.2Å; E57-F60 PolarHBondContact O-N 3.38Å; F60-I62 PolarHBondContact O-N 3.27Å; F60-I63 PolarHBondContact O-N 2.92Å; F60-F64 WeakPolarHBondContact O-CD2 3.48Å; F60-F64 PolarHBondContact O-N 3.3Å
61A68.3Low68.4Low2 Ų256.1 Ų56.12%0.01730%0.303CS..Hα-helixtrans-62.4-42177.800000111.6I32 E57 M58 F64 F65I32-A61 HydrophobicContact CG1-CB 3.84Å; E57-A61 WeakPolarHBondContact O-CB 3.2Å; E57-A61 PolarHBondContact O-N 3.3Å; M58-A61 PolarHBondContact O-N 2.85Å; A61-F64 PolarHBondContact O-N 3.36Å; A61-F65 WeakPolarHBondContact O-CB 3.5Å; A61-F65 PolarHBondContact O-N 3.37Å
62I72.4Confident67.7Low84 Ų8458.5 Ų58.543%0.43131%0.311SS..Hα-helixtrans-64-45.5175.9-69.4165000111.1M58 V59 F60 F64 F65 V66M58-I62 HydrophobicContact CE-CD1 4.33Å; M58-I62 WeakPolarHBondContact O-CB 3.48Å; M58-I62 WeakPolarHBondContact O-CD1 3.41Å; M58-I62 WeakPolarHBondContact O-CG1 3.46Å; M58-I62 PolarHBondContact O-N 3.16Å; V59-I62 PolarHBondContact O-N 3.35Å; F60-I62 PolarHBondContact O-N 3.27Å; I62-F64 PolarHBondContact O-N 3.48Å; I62-F65 WeakPolarHBondContact O-CB 3.23Å; I62-F65 PolarHBondContact O-N 3.17Å; I62-V66 HydrophobicContact CG2-CG2 4.46Å; I62-V66 VanDerWaalsContact O-CG2 3.32Å; I62-V66 WeakPolarHBondContact O-CG2 2.96Å; I62-V66 PolarHBondContact O-N 2.94Å
63I74.4Confident66.9Low88 Ų8859.6 Ų59.645%0.45131%0.309SS..Hα-helixtrans-59.8-49.4178.7-70.4168.2000110.1V59 F60 F65 V66 V67V59-I63 HydrophobicContact CG1-CD1 3.79Å; V59-I63 HydrophobicContact CG1-CG1 4.45Å; V59-I63 VanDerWaalsContact O-CG1 3.25Å; V59-I63 WeakPolarHBondContact O-CG1 3.18Å; V59-I63 PolarHBondContact O-N 2.95Å; F60-I63 PolarHBondContact O-N 2.92Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 3.12Å; I63-V66 PolarHBondContact O-N 3.48Å; I63-V67 WeakPolarHBondContact O-CG2 2.77Å; I63-V67 PolarHBondContact O-N 3.3Å
64F67.5Low65.9Low27 Ų2766 Ų6612%0.11833%0.334CS..Hα-helixtrans-63-39.6178-94.8-92.4000112.7F60 A61 I62 V66 V67 F68 W81 D85 R88F60-F64 WeakPolarHBondContact O-CD2 3.48Å; F60-F64 PolarHBondContact O-N 3.3Å; A61-F64 PolarHBondContact O-N 3.36Å; I62-F64 PolarHBondContact O-N 3.48Å; F64-V66 VanDerWaalsContact C-N 3.33Å; F64-V66 PolarHBondContact O-N 3.12Å; F64-V67 PolarHBondContact O-N 3.44Å; F64-F68 HydrophobicContact CD1-CD2 4.39Å; F64-F68 HydrophobicContact CD1-CE2 4Å; F64-F68 WeakPolarHBondContact O-CB 3.5Å; F64-F68 VanDerWaalsContact O-CD2 3.32Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 PolarHBondContact O-N 2.64Å; F64-W81 HydrophobicContact CD1-CE3 4.39Å; F64-W81 AromaticContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CE1-CE3 4.19Å; F64-W81 AromaticContact CE1-CZ3 3.95Å; F64-W81 HydrophobicContact CE1-CZ3 3.95Å; F64-D85 HydrophobicContact CE1-CB 4.24Å; F64-R88 VanDerWaalsContact CD2-CD 3.43Å; F64-R88 HydrophobicContact CE2-CB 4.27Å; F64-R88 HydrophobicContact CE2-CG 4.33Å; F64-R88 HydrophobicContact CZ-CB 4.43Å
65F67.9Low64.9Low27 Ų2770.9 Ų70.912%0.11837%0.368CS..Hα-helixtrans-58.9-45.4175.5-172.2-102.6000112L16 Y19 L28 I32 A61 I62 I63 M69L16-F65 HydrophobicContact CD1-CE1 3.57Å; L16-F65 HydrophobicContact CD1-CZ 3.8Å; L16-F65 HydrophobicContact CD2-CE1 4.34Å; L16-F65 HydrophobicContact CD2-CZ 3.69Å; L16-F65 HydrophobicContact CG-CE1 3.72Å; L16-F65 HydrophobicContact CG-CZ 3.43Å; L16-F65 VanDerWaalsContact CG-CZ 3.43Å; Y19-F65 HydrophobicContact CD1-CE2 4.32Å; L28-F65 HydrophobicContact CD2-CB 4.09Å; L28-F65 HydrophobicContact CD2-CD2 3.62Å; L28-F65 HydrophobicContact CD2-CG 4.38Å; I32-F65 HydrophobicContact CD1-CB 4.22Å; I32-F65 HydrophobicContact CD1-CD2 3.95Å; I32-F65 HydrophobicContact CD1-CG 4.2Å; A61-F65 WeakPolarHBondContact O-CB 3.5Å; A61-F65 PolarHBondContact O-N 3.37Å; I62-F65 WeakPolarHBondContact O-CB 3.23Å; I62-F65 PolarHBondContact O-N 3.17Å; I63-F65 VanDerWaalsContact C-N 3.32Å; I63-F65 PolarHBondContact O-N 3.12Å; F65-M69 HydrophobicContact CD1-CG 4.07Å; F65-M69 HydrophobicContact CE1-CG 3.87Å; F65-M69 HydrophobicContact CZ-CG 4.29Å; F65-M69 WeakPolarHBondContact O-CB 3.5Å; F65-M69 VanDerWaalsContact O-CG 3.29Å; F65-M69 WeakPolarHBondContact O-CG 3.49Å; F65-M69 PolarHBondContact O-N 2.94Å
66V68.3Low63.7Low73 Ų7370.5 Ų70.544%0.44237%0.366SS..Hα-helixtrans-63.3-42.4177171.60000111I62 I63 F64 M69 M70I62-V66 HydrophobicContact CG2-CG2 4.46Å; I62-V66 VanDerWaalsContact O-CG2 3.32Å; I62-V66 WeakPolarHBondContact O-CG2 2.96Å; I62-V66 PolarHBondContact O-N 2.94Å; I63-V66 PolarHBondContact O-N 3.48Å; F64-V66 VanDerWaalsContact C-N 3.33Å; F64-V66 PolarHBondContact O-N 3.12Å; V66-M69 WeakPolarHBondContact O-CB 3.38Å; V66-M69 PolarHBondContact O-N 3.11Å; V66-M70 PolarHBondContact O-N 2.93Å
67V67.8Low62.6Low27 Ų2775.9 Ų75.916%0.16438%0.384CS..Hα-helixtrans-70.4-38.7-178.7-174.60000112.3I63 F64 M70 M72 W81I63-V67 WeakPolarHBondContact O-CG2 2.77Å; I63-V67 PolarHBondContact O-N 3.3Å; F64-V67 PolarHBondContact O-N 3.44Å; V67-M70 PolarHBondContact O-N 3.03Å; V67-M72 HydrophobicContact CG1-CB 4.02Å; V67-W81 HydrophobicContact CB-CH2 3.51Å; V67-W81 HydrophobicContact CB-CZ2 4.35Å; V67-W81 HydrophobicContact CB-CZ3 3.75Å; V67-W81 HydrophobicContact CG1-CE3 4.33Å; V67-W81 HydrophobicContact CG1-CH2 2.97Å; V67-W81 HydrophobicContact CG1-CZ2 3.34Å; V67-W81 HydrophobicContact CG1-CZ3 3.49Å; V67-W81 VanDerWaalsContact CG1-CZ3 3.49Å; V67-W81 HydrophobicContact CG2-CH2 3.86Å; V67-W81 HydrophobicContact CG2-CZ3 4.45Å
68F61.8Low61.5Low29 Ų2981.5 Ų81.513%0.12742%0.419CS..Hα-helixtrans-65.1-41.1171.4-87.1-65.4000112.2Y19 L28 F64 M70 E71Y19-F68 HydrophobicContact CE1-CB 4.33Å; Y19-F68 HydrophobicContact CE2-CB 4.42Å; Y19-F68 WeakPolarHBondContact OH-CB 2.95Å; Y19-F68 WeakPolarHBondContact OH-CD1 3.37Å; Y19-F68 WeakPolarHBondContact OH-CG 3.28Å; L28-F68 HydrophobicContact CD1-CD2 4.49Å; L28-F68 HydrophobicContact CD1-CE2 4.49Å; F64-F68 HydrophobicContact CD1-CD2 4.39Å; F64-F68 HydrophobicContact CD1-CE2 4Å; F64-F68 WeakPolarHBondContact O-CB 3.5Å; F64-F68 VanDerWaalsContact O-CD2 3.32Å; F64-F68 WeakPolarHBondContact O-CD2 3.39Å; F64-F68 PolarHBondContact O-N 2.64Å; F68-M70 VanDerWaalsContact C-N 3.32Å; F68-M70 PolarHBondContact O-N 3.06Å; F68-E71 PolarHBondContact O-N 3.43Å
69M62.2Low60.6Low33 Ų3383.5 Ų83.516%0.16343%0.433CS..Hα-helixtrans-60.2-38.1175.9-90.5-84.1-65.900113C12 K15 L16 F65 V66 E71C12-M69 WeakPolarHBondContact SG-CE 3.32Å; K15-M69 HydrophobicContact CB-CE 3.94Å; K15-M69 HydrophobicContact CB-SD 4.14Å; L16-M69 HydrophobicContact CB-CE 4.31Å; L16-M69 HydrophobicContact CB-SD 4.15Å; L16-M69 HydrophobicContact CG-SD 4.34Å; F65-M69 HydrophobicContact CD1-CG 4.07Å; F65-M69 HydrophobicContact CE1-CG 3.87Å; F65-M69 HydrophobicContact CZ-CG 4.29Å; F65-M69 WeakPolarHBondContact O-CB 3.5Å; F65-M69 VanDerWaalsContact O-CG 3.29Å; F65-M69 WeakPolarHBondContact O-CG 3.49Å; F65-M69 PolarHBondContact O-N 2.94Å; V66-M69 WeakPolarHBondContact O-CB 3.38Å; V66-M69 PolarHBondContact O-N 3.11Å; M69-E71 PolarHBondContact O-N 3.35Å
70M59.3Low60Low137 Ų13784 Ų8468%0.67543%0.434SS*.THydrogen-bonded Turntrans-793.3179.8-75.8-155.3144.500113.9V66 V67 F68 M72V66-M70 PolarHBondContact O-N 2.93Å; V67-M70 PolarHBondContact O-N 3.03Å; F68-M70 VanDerWaalsContact C-N 3.32Å; F68-M70 PolarHBondContact O-N 3.06Å; M70-M72 HydrophobicContact CB-CG 4.16Å; M70-M72 PolarHBondContact O-N 3.35Å
71E58.6Low59.7Low116 Ų11680.7 Ų80.754%0.54242%0.418SS..THydrogen-bonded Turntrans49.724.4-176.7-65.6-174.492.600113.2K15 F68 M69 D73 K74K15-E71 IonicContact NZ-OE2 2.71Å; F68-E71 PolarHBondContact O-N 3.43Å; M69-E71 PolarHBondContact O-N 3.35Å; E71-D73 PolarHBondContact O-N 2.91Å; E71-K74 PolarHBondContact O-N 3.32Å
72M50.9Low59.7Low85 Ų8582.2 Ų82.242%0.41943%0.427SS..G310 helixtrans-65.8-10.1179.4-87.5-174.452.900112.9V67 M70 K74 S75 I76V67-M72 HydrophobicContact CG1-CB 4.02Å; M70-M72 HydrophobicContact CB-CG 4.16Å; M70-M72 PolarHBondContact O-N 3.35Å; M72-K74 PolarHBondContact O-N 2.87Å; M72-S75 PolarHBondContact O-N 3.43Å; M72-S75 VanDerWaalsContact O-N 3.1Å; M72-I76 PolarHBondContact O-N 2.88Å
73D51.4Low59.4Low80 Ų8085.2 Ų85.243%0.42843%0.433SS..G310 helixtrans-50.7-34165.9-173.2-99.3000112.1E71 S75E71-D73 PolarHBondContact O-N 2.91Å; D73-S75 PolarHBondContact O-N 3.36Å
74K48.8Very low59.3Low173 Ų17383.1 Ų83.175%0.75243%0.426SS*.G310 helixtrans-73.1-21.8179.3-108.6-168.9-178.585.90114.6E71 M72E71-K74 PolarHBondContact O-N 3.32Å; M72-K74 PolarHBondContact O-N 2.87Å
75S47.3Very low59.6Low104 Ų10482.2 Ų82.273%0.72742%0.422SS*.THydrogen-bonded Turntrans-102-22-172.3-161.80000113.7M72 D73M72-S75 PolarHBondContact O-N 3.43Å; M72-S75 VanDerWaalsContact O-N 3.1Å; D73-S75 PolarHBondContact O-N 3.36Å
76I49.8Very low59.9Low80 Ų8082.5 Ų82.541%0.4143%0.425SS..  trans-121.170.6178.4-53.2-164.6000109.1M72 V78 V79M72-I76 PolarHBondContact O-N 2.88Å; I76-V78 PolarHBondContact O-N 3.36Å; I76-V78 VanDerWaalsContact O-N 3.12Å; I76-V79 HydrophobicContact CG2-CG2 4.39Å
77Q49.8Very low60.3Low183 Ų18383.4 Ų83.486%0.85543%0.426SS*.THydrogen-bonded Turntrans-71.52.4176.3-149.6177.4-35.400113.2
78V46.2Very low60.9Low137 Ų13783.2 Ų83.283%0.8342%0.423SS*.THydrogen-bonded Turntrans-87.8-26.5-176.5174.10000112.5I76I76-V78 PolarHBondContact O-N 3.36Å; I76-V78 VanDerWaalsContact O-N 3.12Å
79V53.2Low61.6Low76 Ų7681.9 Ų81.946%0.46142%0.417SS..SBendtrans-104.6126.7177.1177.60000108.1I76 W81I76-V79 HydrophobicContact CG2-CG2 4.39Å; V79-W81 PolarHBondContact O-N 3.27Å
80N63.5Low62.3Low86 Ų8682.8 Ų82.846%0.4643%0.429SS..  trans-73.182.6178.5-161104.1000109.4V82 W83 S84N80-V82 PolarHBondContact O-N 3.36Å; N80-W83 HydrophobicContact CB-CB 4.19Å; N80-W83 HydrophobicContact CB-CG 4.29Å; N80-W83 PolarHBondContact ND2-N 3.43Å; N80-W83 VanDerWaalsContact ND2-N 3.12Å; N80-W83 WeakPolarHBondContact O-CA 3.27Å; N80-W83 WeakPolarHBondContact O-CB 3.37Å; N80-W83 PolarHBondContact O-N 3.23Å; N80-S84 PolarHBondContact O-N 2.9Å
81W64.4Low63.3Low48 Ų4880.6 Ų80.618%0.18242%0.42CS..Hα-helixtrans-47-36.6-179.8-90.888.1000113.1F64 V67 V79 W83 S84 D85F64-W81 HydrophobicContact CD1-CE3 4.39Å; F64-W81 AromaticContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CD1-CZ3 3.96Å; F64-W81 HydrophobicContact CE1-CE3 4.19Å; F64-W81 AromaticContact CE1-CZ3 3.95Å; F64-W81 HydrophobicContact CE1-CZ3 3.95Å; V67-W81 HydrophobicContact CB-CH2 3.51Å; V67-W81 HydrophobicContact CB-CZ2 4.35Å; V67-W81 HydrophobicContact CB-CZ3 3.75Å; V67-W81 HydrophobicContact CG1-CE3 4.33Å; V67-W81 HydrophobicContact CG1-CH2 2.97Å; V67-W81 HydrophobicContact CG1-CZ2 3.34Å; V67-W81 HydrophobicContact CG1-CZ3 3.49Å; V67-W81 VanDerWaalsContact CG1-CZ3 3.49Å; V67-W81 HydrophobicContact CG2-CH2 3.86Å; V67-W81 HydrophobicContact CG2-CZ3 4.45Å; V79-W81 PolarHBondContact O-N 3.27Å; W81-W83 VanDerWaalsContact C-N 3.34Å; W81-W83 PolarHBondContact O-N 2.9Å; W81-S84 PolarHBondContact O-N 3.4Å; W81-D85 WeakPolarHBondContact O-CB 3.34Å; W81-D85 PolarHBondContact O-N 3.5Å
82V67.9Low64.2Low34 Ų3475.1 Ų75.121%0.20639%0.394CS..Hα-helixtrans-66.1-32177.1-171.40000112.9N80 L86 I134 I138N80-V82 PolarHBondContact O-N 3.36Å; V82-L86 WeakPolarHBondContact O-CB 3.17Å; V82-L86 PolarHBondContact O-N 3.25Å; V82-L86 VanDerWaalsContact O-N 3.11Å; V82-I134 HydrophobicContact CG1-CG2 3.33Å; V82-I138 HydrophobicContact CG1-CD1 3.67Å; V82-I138 HydrophobicContact CG1-CG1 3.55Å
83W66.3Low65.6Low146 Ų14671.4 Ų71.455%0.55338%0.377SS*.Hα-helixtrans-74.4-40.2174.9-85.4117.1000110.4N80 W81 D85 L86 I87N80-W83 HydrophobicContact CB-CB 4.19Å; N80-W83 HydrophobicContact CB-CG 4.29Å; N80-W83 PolarHBondContact ND2-N 3.43Å; N80-W83 VanDerWaalsContact ND2-N 3.12Å; N80-W83 WeakPolarHBondContact O-CA 3.27Å; N80-W83 WeakPolarHBondContact O-CB 3.37Å; N80-W83 PolarHBondContact O-N 3.23Å; W81-W83 VanDerWaalsContact C-N 3.34Å; W81-W83 PolarHBondContact O-N 2.9Å; W83-D85 VanDerWaalsContact C-N 3.33Å; W83-L86 HydrophobicContact CE3-CD2 4.49Å; W83-L86 PolarHBondContact O-N 2.92Å; W83-I87 VanDerWaalsContact O-CG1 3.31Å; W83-I87 WeakPolarHBondContact O-CG1 3.11Å; W83-I87 PolarHBondContact O-N 3.45Å
84S72.2Confident66.9Low44 Ų4469.8 Ų69.831%0.30838%0.375SS..Hα-helixtrans-63.5-40.1176-58.30000112.1N80 W81 I87 R88N80-S84 PolarHBondContact O-N 2.9Å; W81-S84 PolarHBondContact O-N 3.4Å; S84-I87 PolarHBondContact O-N 3.37Å; S84-R88 PolarHBondContact O-N 2.94Å
85D73.1Confident68.3Low9 Ų964.4 Ų64.45%0.04835%0.354CS..Hα-helixtrans-63.9-43.7174.7-162.8-135000111.4F64 W81 W83 I87 R88 A89 I134F64-D85 HydrophobicContact CE1-CB 4.24Å; W81-D85 WeakPolarHBondContact O-CB 3.34Å; W81-D85 PolarHBondContact O-N 3.5Å; W83-D85 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 2.74Å; D85-R88 WeakPolarHBondContact O-CB 3.02Å; D85-R88 PolarHBondContact O-N 2.96Å; D85-R88 IonicContact OD2-CZ 3.66Å; D85-R88 IonicContact OD2-NH1 3.64Å; D85-R88 PolarHBondContact OD2-NH1 2.9Å; D85-R88 IonicContact OD2-NH2 2.78Å; D85-A89 WeakPolarHBondContact O-CB 3.12Å; D85-A89 PolarHBondContact O-N 3.05Å; D85-I134 HydrophobicContact CB-CD1 4.38Å; D85-I134 WeakPolarHBondContact OD1-CD1 3.13Å
86L75.1Confident69.7Low32 Ų3259.6 Ų59.617%0.16832%0.32CS..Hα-helixtrans-64-40.4175.9-173.7135.8000112.9V82 W83 A89 A90 I134 F135V82-L86 WeakPolarHBondContact O-CB 3.17Å; V82-L86 PolarHBondContact O-N 3.25Å; V82-L86 VanDerWaalsContact O-N 3.11Å; W83-L86 HydrophobicContact CE3-CD2 4.49Å; W83-L86 PolarHBondContact O-N 2.92Å; L86-A89 PolarHBondContact O-N 3.13Å; L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 3.38Å; L86-I134 HydrophobicContact CB-CG2 4.21Å; L86-I134 HydrophobicContact CD1-CB 4.43Å; L86-I134 HydrophobicContact CD1-CG2 3.96Å; L86-F135 HydrophobicContact CD1-CB 4.37Å
87I76.2Confident71.1Confident92 Ų9259.3 Ų59.347%0.47232%0.319SS..Hα-helixtrans-67-41.6176-68.7167.6000110.4W83 S84 D85 A90 I91W83-I87 VanDerWaalsContact O-CG1 3.31Å; W83-I87 WeakPolarHBondContact O-CG1 3.11Å; W83-I87 PolarHBondContact O-N 3.45Å; S84-I87 PolarHBondContact O-N 3.37Å; D85-I87 PolarHBondContact O-N 2.74Å; I87-A90 PolarHBondContact O-N 2.87Å; I87-I91 HydrophobicContact CG2-CD1 3.61Å; I87-I91 HydrophobicContact CG2-CG1 4.28Å; I87-I91 WeakPolarHBondContact O-CB 3.44Å; I87-I91 VanDerWaalsContact O-CG1 3.23Å; I87-I91 WeakPolarHBondContact O-CG1 3.38Å; I87-I91 PolarHBondContact O-N 3.4Å
88R80.4Confident72.5Confident24 Ų2455.2 Ų55.29%0.09130%0.302CS..Hα-helixtrans-58.7-49.4174.4-172.1-169.490.4-125-3.1110.6E31 F64 S84 D85 A90 I91 G92E31-R88 IonicContact OE1-CZ 3.72Å; E31-R88 IonicContact OE1-NE 3.95Å; E31-R88 IonicContact OE1-NH2 3.49Å; E31-R88 PolarHBondContact OE1-NH2 3.29Å; F64-R88 VanDerWaalsContact CD2-CD 3.43Å; F64-R88 HydrophobicContact CE2-CB 4.27Å; F64-R88 HydrophobicContact CE2-CG 4.33Å; F64-R88 HydrophobicContact CZ-CB 4.43Å; S84-R88 PolarHBondContact O-N 2.94Å; D85-R88 WeakPolarHBondContact O-CB 3.02Å; D85-R88 PolarHBondContact O-N 2.96Å; D85-R88 IonicContact OD2-CZ 3.66Å; D85-R88 IonicContact OD2-NH1 3.64Å; D85-R88 PolarHBondContact OD2-NH1 2.9Å; D85-R88 IonicContact OD2-NH2 2.78Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 3.07Å; R88-I91 PolarHBondContact O-N 3.36Å; R88-G92 PolarHBondContact O-N 2.88Å
89A77.4Confident73.9Confident0 Ų049 Ų490%026%0.264CS..Hα-helixtrans-62.8-39.4-179.800000112.1D85 L86 G92 A93 F127 A131D85-A89 WeakPolarHBondContact O-CB 3.12Å; D85-A89 PolarHBondContact O-N 3.05Å; L86-A89 PolarHBondContact O-N 3.13Å; A89-G92 PolarHBondContact O-N 2.91Å; A89-A93 VanDerWaalsContact O-CB 3.3Å; A89-A93 WeakPolarHBondContact O-CB 3.41Å; A89-A93 PolarHBondContact O-N 3.43Å; A89-F127 HydrophobicContact CB-CD1 4.05Å; A89-A131 HydrophobicContact CB-CB 4.4Å
90A76.4Confident75Confident52 Ų5245.4 Ų45.443%0.4324%0.242SC..Hα-helixtrans-67.3-41.6176.700000112.9L86 I87 R88 A94L86-A90 VanDerWaalsContact O-CB 3.31Å; L86-A90 WeakPolarHBondContact O-CB 3.35Å; L86-A90 PolarHBondContact O-N 3.38Å; I87-A90 PolarHBondContact O-N 2.87Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A90 PolarHBondContact O-N 3.07Å; A90-A94 WeakPolarHBondContact O-CB 3.3Å; A90-A94 PolarHBondContact O-N 3.06Å
91I80.4Confident75.7Confident92 Ų9246.3 Ų46.347%0.47225%0.247SC..Hα-helixtrans-64.4-46.4175.8-68.2166.6000109.7I87 R88 A94 L95I87-I91 HydrophobicContact CG2-CD1 3.61Å; I87-I91 HydrophobicContact CG2-CG1 4.28Å; I87-I91 WeakPolarHBondContact O-CB 3.44Å; I87-I91 VanDerWaalsContact O-CG1 3.23Å; I87-I91 WeakPolarHBondContact O-CG1 3.38Å; I87-I91 PolarHBondContact O-N 3.4Å; R88-I91 PolarHBondContact O-N 3.36Å; I91-A94 PolarHBondContact O-N 2.92Å; I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.4Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.47Å; I91-L95 PolarHBondContact O-N 3.49Å
92G76.4Confident76.2Confident0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-63.2-43.2178.500000112.9E57 R88 A89 A94 L95 Y96E57-G92 VanDerWaalsContact CD-CA 3.41Å; E57-G92 WeakPolarHBondContact OE1-CA 3.14Å; E57-G92 WeakPolarHBondContact OE2-CA 3.37Å; R88-G92 PolarHBondContact O-N 2.88Å; A89-G92 PolarHBondContact O-N 2.91Å; G92-A94 PolarHBondContact O-N 2.99Å; G92-L95 PolarHBondContact O-N 2.92Å; G92-Y96 WeakPolarHBondContact O-CB 3.46Å; G92-Y96 WeakPolarHBondContact O-CD2 3.26Å; G92-Y96 PolarHBondContact O-N 2.92Å
93A80.5Confident76.3Confident8 Ų845.5 Ų45.57%0.06624%0.244CC..Hα-helixtrans-55.6-49.3171.500000111.8A89 L97 F127A89-A93 VanDerWaalsContact O-CB 3.3Å; A89-A93 WeakPolarHBondContact O-CB 3.41Å; A89-A93 PolarHBondContact O-N 3.43Å; A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 WeakPolarHBondContact O-CG 3.36Å; A93-L97 PolarHBondContact O-N 2.95Å; A93-F127 HydrophobicContact CB-CB 3.73Å
94A78.6Confident76.5Confident46 Ų4642 Ų4238%0.3824%0.239SC..Hα-helixtrans-62.7-45.5-179.600000111.7A90 I91 G92 L97 I98A90-A94 WeakPolarHBondContact O-CB 3.3Å; A90-A94 PolarHBondContact O-N 3.06Å; I91-A94 PolarHBondContact O-N 2.92Å; G92-A94 PolarHBondContact O-N 2.99Å; A94-L97 PolarHBondContact O-N 3.22Å; A94-I98 WeakPolarHBondContact O-CB 3.45Å; A94-I98 WeakPolarHBondContact O-CD1 3.31Å; A94-I98 WeakPolarHBondContact O-CG1 3.42Å; A94-I98 PolarHBondContact O-N 3.38Å
95L78.4Confident76.5Confident60 Ų6046.1 Ų46.131%0.31426%0.256SS..Hα-helixtrans-63.9-48.1178.9-70.7175000111.3V53 I91 G92 L97 I98 T99V53-L95 HydrophobicContact CG1-CB 3.91Å; V53-L95 HydrophobicContact CG1-CD1 4.13Å; V53-L95 HydrophobicContact CG1-CG 4.43Å; I91-L95 HydrophobicContact CG2-CD1 3.7Å; I91-L95 HydrophobicContact CG2-CG 4.22Å; I91-L95 WeakPolarHBondContact O-CB 3.4Å; I91-L95 VanDerWaalsContact O-CG 3.3Å; I91-L95 WeakPolarHBondContact O-CG 3.47Å; I91-L95 PolarHBondContact O-N 3.49Å; G92-L95 PolarHBondContact O-N 2.92Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.39Å; L95-I98 PolarHBondContact O-N 3.34Å; L95-T99 WeakPolarHBondContact O-CB 3.41Å; L95-T99 PolarHBondContact O-N 3.43Å; L95-T99 PolarHBondContact O-OG1 3.04Å
96Y77.7Confident76.1Confident2 Ų247.3 Ų47.31%0.00827%0.27CS..Hα-helixtrans-64.1-36.9176.9-84-54.5000113S35 I38 E57 G92 T99 S100 A123 F127S35-Y96 WeakPolarHBondContact CA-OH 3.38Å; S35-Y96 VanDerWaalsContact CB-OH 3.27Å; S35-Y96 WeakPolarHBondContact CB-OH 3.41Å; S35-Y96 PolarHBondContact OG-OH 3.39Å; I38-Y96 HydrophobicContact CB-CE1 4.08Å; I38-Y96 HydrophobicContact CD1-CD1 3.8Å; I38-Y96 HydrophobicContact CD1-CE1 3.55Å; I38-Y96 HydrophobicContact CD1-CG 4.49Å; I38-Y96 HydrophobicContact CG1-CE1 4.4Å; I38-Y96 HydrophobicContact CG2-CD1 4.24Å; I38-Y96 HydrophobicContact CG2-CE1 3.61Å; E57-Y96 HydrophobicContact CG-CE2 4.01Å; E57-Y96 WeakPolarHBondContact OE1-CD2 3.5Å; E57-Y96 WeakPolarHBondContact OE1-CE2 3.36Å; G92-Y96 WeakPolarHBondContact O-CB 3.46Å; G92-Y96 WeakPolarHBondContact O-CD2 3.26Å; G92-Y96 PolarHBondContact O-N 2.92Å; Y96-T99 PolarHBondContact O-N 2.92Å; Y96-S100 WeakPolarHBondContact O-CB 3.47Å; Y96-S100 PolarHBondContact O-N 2.87Å; Y96-A123 HydrophobicContact CD1-CB 4.49Å; Y96-A123 HydrophobicContact CD2-CB 3.95Å; Y96-A123 HydrophobicContact CE2-CB 4.4Å; Y96-A123 HydrophobicContact CG-CB 4Å; Y96-F127 AromaticContact CD2-CD2 3.99Å; Y96-F127 HydrophobicContact CD2-CD2 3.99Å; Y96-F127 AromaticContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CE2 3.49Å; Y96-F127 VanDerWaalsContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CZ 4.26Å; Y96-F127 HydrophobicContact CE2-CD2 4.4Å; Y96-F127 AromaticContact CE2-CE2 3.48Å; Y96-F127 HydrophobicContact CE2-CE2 3.48Å; Y96-F127 VanDerWaalsContact CE2-CE2 3.48Å; Y96-F127 AromaticContact CE2-CZ 4Å; Y96-F127 HydrophobicContact CE2-CZ 4Å
97L78.9Confident75.3Confident74 Ų7446.1 Ų46.139%0.38727%0.266SS..Hα-helixtrans-65.7-44.4174.9-74.5-179.9000112.2A93 A94 L95 S100 L101 L121A93-L97 VanDerWaalsContact O-CB 3.29Å; A93-L97 WeakPolarHBondContact O-CB 3.41Å; A93-L97 WeakPolarHBondContact O-CG 3.36Å; A93-L97 PolarHBondContact O-N 2.95Å; A94-L97 PolarHBondContact O-N 3.22Å; L95-L97 VanDerWaalsContact C-N 3.35Å; L95-L97 PolarHBondContact O-N 3.39Å; L97-S100 PolarHBondContact O-N 3.22Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 3.48Å; L97-L121 HydrophobicContact CD2-CD2 3.99Å
98I79.9Confident74.4Confident97 Ų9746.7 Ų46.750%0.49729%0.285SS..Hα-helixtrans-61.9-48176.4-68.5163.3000109.9A94 L95 S100 L101 I102A94-I98 WeakPolarHBondContact O-CB 3.45Å; A94-I98 WeakPolarHBondContact O-CD1 3.31Å; A94-I98 WeakPolarHBondContact O-CG1 3.42Å; A94-I98 PolarHBondContact O-N 3.38Å; L95-I98 PolarHBondContact O-N 3.34Å; I98-S100 PolarHBondContact O-N 3.2Å; I98-L101 PolarHBondContact O-N 3.37Å; I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 WeakPolarHBondContact O-CD1 3.27Å; I98-I102 VanDerWaalsContact O-CG1 3.23Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.03Å
99T74.2Confident73.4Confident6 Ų649 Ų494%0.03732%0.316CS..Hα-helixtrans-66.6-39.3-177.6-38.60000111.4Y42 Y50 L95 Y96 I102 C103Y42-T99 HydrophobicContact CE1-CG2 4.32Å; Y42-T99 HydrophobicContact CE2-CG2 4.12Å; Y42-T99 WeakPolarHBondContact OH-CG2 3.31Å; Y50-T99 HydrophobicContact CD1-CG2 3.57Å; Y50-T99 HydrophobicContact CD2-CG2 4.47Å; Y50-T99 HydrophobicContact CE1-CG2 4.37Å; Y50-T99 HydrophobicContact CG-CG2 3.63Å; L95-T99 WeakPolarHBondContact O-CB 3.41Å; L95-T99 PolarHBondContact O-N 3.43Å; L95-T99 PolarHBondContact O-OG1 3.04Å; Y96-T99 PolarHBondContact O-N 2.92Å; T99-I102 PolarHBondContact O-N 3.13Å; T99-C103 WeakPolarHBondContact O-CB 3.43Å; T99-C103 PolarHBondContact O-N 2.96Å; T99-C103 PolarHBondContact O-SG 2.79Å
100S76.8Confident73Confident1 Ų153.3 Ų53.31%0.00734%0.339CS..Hα-helixtrans-58.7-50.3173174.60000111.4Y96 L97 I98 I102 C103 V104 G117 L121Y96-S100 WeakPolarHBondContact O-CB 3.47Å; Y96-S100 PolarHBondContact O-N 2.87Å; L97-S100 PolarHBondContact O-N 3.22Å; I98-S100 PolarHBondContact O-N 3.2Å; S100-I102 VanDerWaalsContact C-N 3.33Å; S100-I102 PolarHBondContact O-N 3.32Å; S100-C103 PolarHBondContact O-N 2.99Å; S100-C103 VanDerWaalsContact O-N 3.15Å; S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.28Å; S100-G117 WeakPolarHBondContact CB-O 3.3Å; S100-G117 PolarHBondContact OG-O 2.93Å; S100-L121 WeakPolarHBondContact OG-CG 3.36Å; S100-L121 PolarHBondContact OG-N 2.94Å
101L78.1Confident72.6Confident106 Ų10653.5 Ų53.556%0.55535%0.346SS*.Hα-helixtrans-60.8-42.7-179.5-171.764.3000111.4L97 I98 V104 I105L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 PolarHBondContact O-N 3.48Å; I98-L101 PolarHBondContact O-N 3.37Å; L101-V104 PolarHBondContact O-N 3.19Å; L101-I105 HydrophobicContact CD1-CD1 3.78Å; L101-I105 HydrophobicContact CD1-CG1 4.32Å; L101-I105 HydrophobicContact CD2-CD1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.66Å; L101-I105 HydrophobicContact CG-CG1 4.49Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CD1 3.39Å; L101-I105 WeakPolarHBondContact O-CG1 3.32Å; L101-I105 PolarHBondContact O-N 2.83Å
102I74.3Confident72.1Confident60 Ų6051.1 Ų51.131%0.30834%0.34SS..Hα-helixtrans-64.1-41.6176.4-64.4161.5000111.4Y50 I98 T99 S100 G106Y50-I102 HydrophobicContact CE1-CD1 3.93Å; Y50-I102 HydrophobicContact CE2-CG2 4.13Å; Y50-I102 WeakPolarHBondContact OH-CG2 3.41Å; I98-I102 HydrophobicContact CG2-CD1 3.67Å; I98-I102 WeakPolarHBondContact O-CD1 3.27Å; I98-I102 VanDerWaalsContact O-CG1 3.23Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.03Å; T99-I102 PolarHBondContact O-N 3.13Å; S100-I102 VanDerWaalsContact C-N 3.33Å; S100-I102 PolarHBondContact O-N 3.32Å; I102-G106 PolarHBondContact O-N 3.4Å
103C70.3Confident71.7Confident5 Ų552.9 Ų52.93%0.03435%0.347CS..Hα-helixtrans-68.6-36.7179.8-68.60000112.6Y42 T99 S100 G107Y42-C103 VanDerWaalsContact CE1-SG 3.53Å; Y42-C103 PolarHBondContact OH-SG 3.29Å; T99-C103 WeakPolarHBondContact O-CB 3.43Å; T99-C103 PolarHBondContact O-N 2.96Å; T99-C103 PolarHBondContact O-SG 2.79Å; S100-C103 PolarHBondContact O-N 2.99Å; S100-C103 VanDerWaalsContact O-N 3.15Å; C103-G107 WeakPolarHBondContact O-CA 3.39Å; C103-G107 PolarHBondContact O-N 2.87Å; C103-G107 VanDerWaalsContact O-N 3.17Å
104V70.5Confident71.4Confident72 Ų7256.4 Ų56.444%0.43636%0.364SS..Hα-helixtrans-69.4-45.2175.7170.30000110.9S100 L101S100-V104 WeakPolarHBondContact O-CG2 3.47Å; S100-V104 PolarHBondContact O-N 3.28Å; L101-V104 PolarHBondContact O-N 3.19Å
105I72.1Confident71.5Confident130 Ų13056 Ų5667%0.66736%0.361SS*.Hα-helixtrans-73.1-38.3-178-63.6168.9000111.7L101 G107L101-I105 HydrophobicContact CD1-CD1 3.78Å; L101-I105 HydrophobicContact CD1-CG1 4.32Å; L101-I105 HydrophobicContact CD2-CD1 4.43Å; L101-I105 HydrophobicContact CG-CD1 3.66Å; L101-I105 HydrophobicContact CG-CG1 4.49Å; L101-I105 WeakPolarHBondContact O-CB 3.46Å; L101-I105 WeakPolarHBondContact O-CD1 3.39Å; L101-I105 WeakPolarHBondContact O-CG1 3.32Å; L101-I105 PolarHBondContact O-N 2.83Å; I105-G107 VanDerWaalsContact C-N 3.35Å
106G66.6Low71.2Confident34 Ų3453.2 Ų53.235%0.35135%0.346SS..THydrogen-bonded Turntrans-883.1-179.700000115I102 A108 R113I102-G106 PolarHBondContact O-N 3.4Å; G106-A108 VanDerWaalsContact C-N 3.3Å; G106-A108 PolarHBondContact O-N 2.87Å; G106-R113 PolarHBondContact O-NH1 2.88Å; G106-R113 VanDerWaalsContact O-NH1 3.16Å; G106-R113 PolarHBondContact O-NH2 3.14Å; G106-R113 VanDerWaalsContact O-NH2 3.12Å
107G58.2Low71.2Confident7 Ų753.1 Ų53.17%0.07235%0.346CS..  trans-83.521.3-168.500000116.2C103 I105 G109 I114C103-G107 WeakPolarHBondContact O-CA 3.39Å; C103-G107 PolarHBondContact O-N 2.87Å; C103-G107 VanDerWaalsContact O-N 3.17Å; I105-G107 VanDerWaalsContact C-N 3.35Å; G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 PolarHBondContact O-N 3.45Å; G107-I114 WeakPolarHBondContact O-CD1 3.45Å
108A55.4Low71.3Confident105 Ų10553.3 Ų53.387%0.86835%0.35SS*.SBendtrans-72.683.7174.300000110.3G106G106-A108 VanDerWaalsContact C-N 3.3Å; G106-A108 PolarHBondContact O-N 2.87Å
109G60.8Low71.4Confident73 Ų7352.4 Ų52.475%0.75334%0.343SS*.SBendtrans146-25.6167.900000117G107G107-G109 VanDerWaalsContact C-N 3.3Å; G107-G109 PolarHBondContact O-N 3.45Å
110D68.7Low71.7Confident89 Ų8952.1 Ų52.148%0.47634%0.341SS..  trans-123.5110.7-174.1-76.4-63.2000112.3A112 R113 I114D110-A112 PolarHBondContact O-N 3.46Å; D110-R113 HydrophobicContact CB-CB 4.24Å; D110-R113 HydrophobicContact CB-CG 3.94Å; D110-R113 PolarHBondContact O-N 3.2Å; D110-I114 PolarHBondContact O-N 3.26Å
111G68.3Low72Confident57 Ų5755.9 Ų55.959%0.58836%0.361SS*.Hα-helixtrans-59.2-30.7178.600000114.1R113 I114 A115G111-R113 VanDerWaalsContact C-N 3.33Å; G111-R113 PolarHBondContact O-N 3.46Å; G111-I114 PolarHBondContact O-N 3.45Å; G111-A115 WeakPolarHBondContact O-CB 3.37Å; G111-A115 PolarHBondContact O-N 3.23Å
112A68.9Low72.3Confident42 Ų4255 Ų5535%0.34736%0.356SS..Hα-helixtrans-65.4-34.3176.300000112.7D110 G116D110-A112 PolarHBondContact O-N 3.46Å; A112-G116 PolarHBondContact O-N 2.96Å
113R67.8Low72.6Confident36 Ų3652.2 Ų52.214%0.13634%0.341CS..Hα-helixtrans-69.9-41.7177.1-69.8174.670-156.4-2.9111.1S45 G106 D110 G111 G116 G117S45-R113 WeakPolarHBondContact OG-CG 3.18Å; G106-R113 PolarHBondContact O-NH1 2.88Å; G106-R113 VanDerWaalsContact O-NH1 3.16Å; G106-R113 PolarHBondContact O-NH2 3.14Å; G106-R113 VanDerWaalsContact O-NH2 3.12Å; D110-R113 HydrophobicContact CB-CB 4.24Å; D110-R113 HydrophobicContact CB-CG 3.94Å; D110-R113 PolarHBondContact O-N 3.2Å; G111-R113 VanDerWaalsContact C-N 3.33Å; G111-R113 PolarHBondContact O-N 3.46Å; R113-G116 PolarHBondContact O-N 2.83Å; R113-G117 PolarHBondContact O-N 2.88Å
114I76.1Confident73.1Confident82 Ų8252 Ų5242%0.42134%0.34SS..Hα-helixtrans-64.4-45.8176.2-63.4168.6000110.2G107 D110 G111 G116 G117 V118G107-I114 WeakPolarHBondContact O-CD1 3.45Å; D110-I114 PolarHBondContact O-N 3.26Å; G111-I114 PolarHBondContact O-N 3.45Å; I114-G116 PolarHBondContact O-N 3.34Å; I114-G117 WeakPolarHBondContact O-CA 3.42Å; I114-G117 PolarHBondContact O-N 3.32Å; I114-G117 VanDerWaalsContact O-N 3.14Å; I114-V118 WeakPolarHBondContact O-CG2 3.45Å; I114-V118 PolarHBondContact O-N 3.31Å
115A78.7Confident73.8Confident38 Ų3853.8 Ų53.831%0.31435%0.346SS..Hα-helixtrans-59.5-47.9177.400000111.8G111 G117 V118 F119G111-A115 WeakPolarHBondContact O-CB 3.37Å; G111-A115 PolarHBondContact O-N 3.23Å; A115-G117 VanDerWaalsContact C-N 3.26Å; A115-G117 PolarHBondContact O-N 3.49Å; A115-V118 PolarHBondContact O-N 3Å; A115-F119 WeakPolarHBondContact O-CD2 3.49Å; A115-F119 PolarHBondContact O-N 2.94Å
116G73.8Confident74.3Confident1 Ų150 Ų501%0.0133%0.327CS..Hα-helixtrans-57.9-38.1174.300000112.9A112 R113 I114 F119 G120A112-G116 PolarHBondContact O-N 2.96Å; R113-G116 PolarHBondContact O-N 2.83Å; I114-G116 PolarHBondContact O-N 3.34Å; G116-F119 PolarHBondContact O-N 2.72Å; G116-G120 PolarHBondContact O-N 2.98Å
117G76.8Confident74.9Confident0 Ų048.4 Ų48.40%031%0.311CS..Hα-helixtrans-61.6-47.1173.500000113.2S100 R113 I114 A115 F119 G120 L121S100-G117 WeakPolarHBondContact CB-O 3.3Å; S100-G117 PolarHBondContact OG-O 2.93Å; R113-G117 PolarHBondContact O-N 2.88Å; I114-G117 WeakPolarHBondContact O-CA 3.42Å; I114-G117 PolarHBondContact O-N 3.32Å; I114-G117 VanDerWaalsContact O-N 3.14Å; A115-G117 VanDerWaalsContact C-N 3.26Å; A115-G117 PolarHBondContact O-N 3.49Å; G117-F119 PolarHBondContact O-N 2.97Å; G117-G120 PolarHBondContact O-N 3.33Å; G117-L121 PolarHBondContact O-N 3.41Å
118V82.2Confident76Confident78 Ų7851 Ų5147%0.47333%0.328SS..Hα-helixtrans-63.5-43178176.80000111.3I114 A115 G120 L121 L122I114-V118 WeakPolarHBondContact O-CG2 3.45Å; I114-V118 PolarHBondContact O-N 3.31Å; A115-V118 PolarHBondContact O-N 3Å; V118-G120 VanDerWaalsContact C-N 3.35Å; V118-G120 PolarHBondContact O-N 3.02Å; V118-L121 WeakPolarHBondContact O-CB 3.42Å; V118-L121 PolarHBondContact O-N 2.96Å; V118-L122 PolarHBondContact O-N 3.48Å
119F80.7Confident77.3Confident78 Ų7852.8 Ų52.834%0.34231%0.313SS..Hα-helixtrans-64.7-37.5175.2-76.2-67.7000112.4I37 I38 A115 G116 G117 L121 L122 A123I37-F119 HydrophobicContact CG2-CD1 4.28Å; I37-F119 HydrophobicContact CG2-CD2 4.45Å; I37-F119 HydrophobicContact CG2-CE1 4.42Å; I37-F119 HydrophobicContact CG2-CG 4.31Å; I38-F119 HydrophobicContact CD1-CB 4.49Å; I38-F119 HydrophobicContact CG1-CB 3.81Å; A115-F119 WeakPolarHBondContact O-CD2 3.49Å; A115-F119 PolarHBondContact O-N 2.94Å; G116-F119 PolarHBondContact O-N 2.72Å; G117-F119 PolarHBondContact O-N 2.97Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 3.25Å; F119-L122 HydrophobicContact CD1-CD1 4.3Å; F119-L122 WeakPolarHBondContact O-CB 3.18Å; F119-L122 PolarHBondContact O-N 2.81Å; F119-A123 PolarHBondContact O-N 2.6Å
120G79.9Confident78.3Confident0 Ų049.6 Ų49.60%028%0.279CS..Hα-helixtrans-62.9-35.2172.600000113.3G116 G117 V118 A123 G124G116-G120 PolarHBondContact O-N 2.98Å; G117-G120 PolarHBondContact O-N 3.33Å; V118-G120 VanDerWaalsContact C-N 3.35Å; V118-G120 PolarHBondContact O-N 3.02Å; G120-A123 WeakPolarHBondContact O-CB 3.46Å; G120-A123 PolarHBondContact O-N 3Å; G120-G124 PolarHBondContact O-N 2.88Å
121L83.4Confident78.8Confident81 Ų8146.4 Ų46.442%0.42426%0.264SS..Hα-helixtrans-67.4-43.9174.1-116.5164.8000111.5L97 S100 G117 V118 F119 A123 G124 I125L97-L121 HydrophobicContact CD2-CD2 3.99Å; S100-L121 WeakPolarHBondContact OG-CG 3.36Å; S100-L121 PolarHBondContact OG-N 2.94Å; G117-L121 PolarHBondContact O-N 3.41Å; V118-L121 WeakPolarHBondContact O-CB 3.42Å; V118-L121 PolarHBondContact O-N 2.96Å; F119-L121 VanDerWaalsContact C-N 3.31Å; F119-L121 PolarHBondContact O-N 3.25Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.1Å; L121-G124 PolarHBondContact O-N 3.5Å; L121-I125 WeakPolarHBondContact O-CG1 3.39Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.1Å
122L84.8Confident79.4Confident88 Ų8850.3 Ų50.346%0.46126%0.262SS..Hα-helixtrans-60.3-41173.2-78.4165.8000111.8V118 F119 I125 L126V118-L122 PolarHBondContact O-N 3.48Å; F119-L122 HydrophobicContact CD1-CD1 4.3Å; F119-L122 WeakPolarHBondContact O-CB 3.18Å; F119-L122 PolarHBondContact O-N 2.81Å; L122-I125 PolarHBondContact O-N 3.3Å; L122-L126 PolarHBondContact O-N 3.33Å
123A80.3Confident80Confident0 Ų049.7 Ų49.70%026%0.255CS..Hα-helixtrans-59.9-50.1173.500000111.3I34 I38 Y96 F119 G120 L121 I125 L126 F127I34-A123 HydrophobicContact CG2-CB 3.35Å; I38-A123 HydrophobicContact CD1-CB 3.55Å; Y96-A123 HydrophobicContact CD1-CB 4.49Å; Y96-A123 HydrophobicContact CD2-CB 3.95Å; Y96-A123 HydrophobicContact CE2-CB 4.4Å; Y96-A123 HydrophobicContact CG-CB 4Å; F119-A123 PolarHBondContact O-N 2.6Å; G120-A123 WeakPolarHBondContact O-CB 3.46Å; G120-A123 PolarHBondContact O-N 3Å; L121-A123 VanDerWaalsContact C-N 3.31Å; L121-A123 PolarHBondContact O-N 3.1Å; A123-I125 VanDerWaalsContact C-N 3.25Å; A123-I125 PolarHBondContact O-N 3.43Å; A123-L126 CarbonylContact O-C 3.59Å; A123-L126 WeakPolarHBondContact O-CA 3.03Å; A123-L126 WeakPolarHBondContact O-CB 3.42Å; A123-L126 PolarHBondContact O-N 2.97Å; A123-F127 HydrophobicContact CB-CD2 4.31Å; A123-F127 HydrophobicContact CB-CE2 4.44Å; A123-F127 VanDerWaalsContact O-CD2 3.27Å; A123-F127 WeakPolarHBondContact O-CD2 3.18Å; A123-F127 PolarHBondContact O-N 3.15Å
124G81.9Confident80.5Confident1 Ų148.2 Ų48.21%0.0125%0.249CC..Hα-helixtrans-54.9-40.5178.500000113.1G120 L121 S128G120-G124 PolarHBondContact O-N 2.88Å; L121-G124 PolarHBondContact O-N 3.5Å; G124-S128 WeakPolarHBondContact O-CB 3.41Å; G124-S128 PolarHBondContact O-N 2.89Å; G124-S128 PolarHBondContact O-OG 3Å
125I84.8Confident80.6Confident109 Ų10949.9 Ų49.956%0.55925%0.254SS*.Hα-helixtrans-65.7-43.8174.4-64.2167.9000110.9L121 L122 A123 S128 Y129L121-I125 WeakPolarHBondContact O-CG1 3.39Å; L121-I125 PolarHBondContact O-N 3.47Å; L121-I125 VanDerWaalsContact O-N 3.1Å; L122-I125 PolarHBondContact O-N 3.3Å; A123-I125 VanDerWaalsContact C-N 3.25Å; A123-I125 PolarHBondContact O-N 3.43Å; I125-S128 WeakPolarHBondContact O-CB 3.33Å; I125-S128 PolarHBondContact O-N 3.25Å; I125-Y129 PolarHBondContact O-N 3.33Å
126L82.1Confident80.7Confident50 Ų5051.7 Ų51.726%0.26226%0.258SS..Hα-helixtrans-63.2-46.9179.8-155.192.9000111.9A30 E31 I34 L122 A123 S128 Y129 D130A30-L126 HydrophobicContact CB-CD2 4.02Å; E31-L126 HydrophobicContact CB-CD2 4.46Å; I34-L126 HydrophobicContact CD1-CD1 4.44Å; I34-L126 HydrophobicContact CD1-CD2 4.08Å; L122-L126 PolarHBondContact O-N 3.33Å; A123-L126 CarbonylContact O-C 3.59Å; A123-L126 WeakPolarHBondContact O-CA 3.03Å; A123-L126 WeakPolarHBondContact O-CB 3.42Å; A123-L126 PolarHBondContact O-N 2.97Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 3.43Å; L126-Y129 WeakPolarHBondContact O-CB 3.29Å; L126-Y129 PolarHBondContact O-N 2.95Å; L126-Y129 VanDerWaalsContact O-N 3.14Å; L126-D130 PolarHBondContact O-N 2.91Å
127F79.1Confident80.9Confident2 Ų254.4 Ų54.41%0.00927%0.274CS..Hα-helixtrans-62.1-38.1175.1-85.4-81.6000111.9E31 E57 A89 A93 Y96 A123 Y129 D130 A131E31-F127 HydrophobicContact CG-CD1 3.92Å; E31-F127 HydrophobicContact CG-CD2 4.25Å; E31-F127 HydrophobicContact CG-CE1 3.37Å; E31-F127 HydrophobicContact CG-CE2 3.64Å; E31-F127 HydrophobicContact CG-CG 4.37Å; E31-F127 HydrophobicContact CG-CZ 3.18Å; E31-F127 WeakPolarHBondContact OE1-CE1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CD1 3.07Å; E31-F127 WeakPolarHBondContact OE2-CE1 3.33Å; E57-F127 HydrophobicContact CG-CZ 4.39Å; A89-F127 HydrophobicContact CB-CD1 4.05Å; A93-F127 HydrophobicContact CB-CB 3.73Å; Y96-F127 AromaticContact CD2-CD2 3.99Å; Y96-F127 HydrophobicContact CD2-CD2 3.99Å; Y96-F127 AromaticContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CE2 3.49Å; Y96-F127 VanDerWaalsContact CD2-CE2 3.49Å; Y96-F127 HydrophobicContact CD2-CZ 4.26Å; Y96-F127 HydrophobicContact CE2-CD2 4.4Å; Y96-F127 AromaticContact CE2-CE2 3.48Å; Y96-F127 HydrophobicContact CE2-CE2 3.48Å; Y96-F127 VanDerWaalsContact CE2-CE2 3.48Å; Y96-F127 AromaticContact CE2-CZ 4Å; Y96-F127 HydrophobicContact CE2-CZ 4Å; A123-F127 HydrophobicContact CB-CD2 4.31Å; A123-F127 HydrophobicContact CB-CE2 4.44Å; A123-F127 VanDerWaalsContact O-CD2 3.27Å; A123-F127 WeakPolarHBondContact O-CD2 3.18Å; A123-F127 PolarHBondContact O-N 3.15Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 PolarHBondContact O-N 2.96Å; F127-D130 PolarHBondContact O-N 2.94Å; F127-A131 WeakPolarHBondContact O-CB 3.49Å; F127-A131 PolarHBondContact O-N 3.22Å
128S82.4Confident80.8Confident62 Ų6256.2 Ų56.243%0.43428%0.283SS..Hα-helixtrans-64.5-38.4174.1-59.60000111.7G124 I125 L126 Y132G124-S128 WeakPolarHBondContact O-CB 3.41Å; G124-S128 PolarHBondContact O-N 2.89Å; G124-S128 PolarHBondContact O-OG 3Å; I125-S128 WeakPolarHBondContact O-CB 3.33Å; I125-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 3.43Å; S128-Y132 WeakPolarHBondContact O-CB 3.43Å; S128-Y132 PolarHBondContact O-N 3.5Å
129Y82.4Confident80.6Confident142 Ų14258.4 Ų58.456%0.55729%0.286SS*.Hα-helixtrans-67.7-39.9175-175.7-94.3000112I125 L126 F127 Y132 T133I125-Y129 PolarHBondContact O-N 3.33Å; L126-Y129 WeakPolarHBondContact O-CB 3.29Å; L126-Y129 PolarHBondContact O-N 2.95Å; L126-Y129 VanDerWaalsContact O-N 3.14Å; F127-Y129 VanDerWaalsContact C-N 3.32Å; F127-Y129 PolarHBondContact O-N 2.96Å; Y129-Y132 PolarHBondContact O-N 3.14Å; Y129-T133 WeakPolarHBondContact O-CB 3.48Å; Y129-T133 PolarHBondContact O-N 3.49Å; Y129-T133 PolarHBondContact O-OG1 3.26Å
130D80.8Confident80.4Confident6 Ų657.8 Ų57.83%0.03229%0.292CS..Hα-helixtrans-59.8-51.8173.7-176-104.5000111I27 L126 F127 Y132 T133 I134I27-D130 HydrophobicContact CG2-CB 3.63Å; I27-D130 WeakPolarHBondContact CG2-OD2 3.14Å; L126-D130 PolarHBondContact O-N 2.91Å; F127-D130 PolarHBondContact O-N 2.94Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.47Å; D130-T133 PolarHBondContact O-N 3.1Å; D130-I134 WeakPolarHBondContact O-CG1 3.35Å; D130-I134 PolarHBondContact O-N 3.45Å; D130-I134 WeakPolarHBondContact OD1-CD1 3.34Å
131A79.4Confident79.9Confident21 Ų2161.7 Ų61.717%0.17432%0.316CS..Hα-helixtrans-56.2-40.7175.400000112.4A89 F127 F135A89-A131 HydrophobicContact CB-CB 4.4Å; F127-A131 WeakPolarHBondContact O-CB 3.49Å; F127-A131 PolarHBondContact O-N 3.22Å; A131-F135 VanDerWaalsContact O-CB 3.28Å; A131-F135 WeakPolarHBondContact O-CB 3.17Å; A131-F135 PolarHBondContact O-N 2.72Å
132Y81.9Confident79.1Confident139 Ų13966.3 Ų66.355%0.54533%0.328SS..Hα-helixtrans-66-42.1176-176.6-101.7000112.6S128 Y129 D130 F135 L136S128-Y132 WeakPolarHBondContact O-CB 3.43Å; S128-Y132 PolarHBondContact O-N 3.5Å; Y129-Y132 PolarHBondContact O-N 3.14Å; D130-Y132 VanDerWaalsContact C-N 3.28Å; D130-Y132 PolarHBondContact O-N 3.47Å; Y132-F135 WeakPolarHBondContact O-CB 3.39Å; Y132-F135 PolarHBondContact O-N 2.97Å; Y132-L136 HydrophobicContact CD1-CD1 3.96Å; Y132-L136 HydrophobicContact CD1-CG 4.36Å; Y132-L136 HydrophobicContact CE1-CD1 3.38Å; Y132-L136 HydrophobicContact CE1-CG 3.94Å; Y132-L136 PolarHBondContact O-N 3.49Å
133T80.2Confident78Confident30 Ų3068.7 Ų68.718%0.18434%0.336CS..Hα-helixtrans-66-41.9179-50.80000110.7I27 Y129 D130 L136 V137I27-T133 HydrophobicContact CD1-CG2 4.11Å; Y129-T133 WeakPolarHBondContact O-CB 3.48Å; Y129-T133 PolarHBondContact O-N 3.49Å; Y129-T133 PolarHBondContact O-OG1 3.26Å; D130-T133 PolarHBondContact O-N 3.1Å; T133-L136 PolarHBondContact O-N 3Å; T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 3.48Å; T133-V137 VanDerWaalsContact O-N 3.07Å
134I78.3Confident76.8Confident5 Ų576.2 Ų76.23%0.02637%0.371CS..Hα-helixtrans-60.2-48.2172.5-70.4166.6000110.5V82 D85 L86 D130 L136 V137 I138V82-I134 HydrophobicContact CG1-CG2 3.33Å; D85-I134 HydrophobicContact CB-CD1 4.38Å; D85-I134 WeakPolarHBondContact OD1-CD1 3.13Å; L86-I134 HydrophobicContact CB-CG2 4.21Å; L86-I134 HydrophobicContact CD1-CB 4.43Å; L86-I134 HydrophobicContact CD1-CG2 3.96Å; D130-I134 WeakPolarHBondContact O-CG1 3.35Å; D130-I134 PolarHBondContact O-N 3.45Å; D130-I134 WeakPolarHBondContact OD1-CD1 3.34Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 3.39Å; I134-V137 WeakPolarHBondContact O-CB 3.35Å; I134-V137 PolarHBondContact O-N 3.38Å; I134-V137 VanDerWaalsContact O-N 3.13Å; I134-I138 HydrophobicContact CG2-CD1 3.98Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.16Å
135F79.8Confident75.5Confident117 Ų11781.3 Ų81.351%0.51340%0.402SS..Hα-helixtrans-58.9-42.4178.7-177.2-97.3000112.3L86 A131 Y132 V137 I138 K139L86-F135 HydrophobicContact CD1-CB 4.37Å; A131-F135 VanDerWaalsContact O-CB 3.28Å; A131-F135 WeakPolarHBondContact O-CB 3.17Å; A131-F135 PolarHBondContact O-N 2.72Å; Y132-F135 WeakPolarHBondContact O-CB 3.39Å; Y132-F135 PolarHBondContact O-N 2.97Å; F135-V137 PolarHBondContact O-N 2.87Å; F135-I138 PolarHBondContact O-N 3.44Å; F135-K139 WeakPolarHBondContact O-CB 3.33Å; F135-K139 PolarHBondContact O-N 3.17Å
136L80.4Confident73.9Confident76 Ų7679.1 Ų79.140%0.39840%0.401SS..Hα-helixtrans-62.3-41175-79.4-178.4000112.6Y132 T133 I134 K139 S140Y132-L136 HydrophobicContact CD1-CD1 3.96Å; Y132-L136 HydrophobicContact CD1-CG 4.36Å; Y132-L136 HydrophobicContact CE1-CD1 3.38Å; Y132-L136 HydrophobicContact CE1-CG 3.94Å; Y132-L136 PolarHBondContact O-N 3.49Å; T133-L136 PolarHBondContact O-N 3Å; I134-L136 VanDerWaalsContact C-N 3.32Å; I134-L136 PolarHBondContact O-N 3.39Å; L136-K139 PolarHBondContact O-N 3.15Å; L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 3Å
137V78.3Confident72.1Confident58 Ų5880.5 Ų80.535%0.35242%0.419SS..Hα-helixtrans-62.6-47.2175.7167.40000110.7T133 I134 F135 K139 S140 T141T133-V137 WeakPolarHBondContact O-CG2 3.23Å; T133-V137 PolarHBondContact O-N 3.48Å; T133-V137 VanDerWaalsContact O-N 3.07Å; I134-V137 WeakPolarHBondContact O-CB 3.35Å; I134-V137 PolarHBondContact O-N 3.38Å; I134-V137 VanDerWaalsContact O-N 3.13Å; F135-V137 PolarHBondContact O-N 2.87Å; V137-K139 VanDerWaalsContact C-N 3.3Å; V137-K139 PolarHBondContact O-N 3.29Å; V137-S140 PolarHBondContact O-N 3.04Å; V137-T141 PolarHBondContact O-N 3.12Å; V137-T141 PolarHBondContact O-OG1 3.22Å
138I74.8Confident70.8Confident38 Ų3885.7 Ų85.720%0.19545%0.453CS..Hα-helixtrans-57.4-46.6176.4-62.6167.1000110.3V82 I134 F135 T141 R142V82-I138 HydrophobicContact CG1-CD1 3.67Å; V82-I138 HydrophobicContact CG1-CG1 3.55Å; I134-I138 HydrophobicContact CG2-CD1 3.98Å; I134-I138 HydrophobicContact CG2-CG1 4.42Å; I134-I138 WeakPolarHBondContact O-CG1 3.44Å; I134-I138 PolarHBondContact O-N 3.16Å; F135-I138 PolarHBondContact O-N 3.44Å; I138-T141 PolarHBondContact O-N 2.9Å; I138-R142 HydrophobicContact CG2-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CB 3.48Å; I138-R142 VanDerWaalsContact O-CG 3.24Å; I138-R142 WeakPolarHBondContact O-CG 3.47Å; I138-R142 PolarHBondContact O-N 3.41Å
139K77.6Confident69.6Low123 Ų12389 Ų8954%0.53547%0.471SS..Hα-helixtrans-62.2-44.6-179.8-167.7-176.7-178.9-174.50111.4F135 L136 V137 R142 Q143F135-K139 WeakPolarHBondContact O-CB 3.33Å; F135-K139 PolarHBondContact O-N 3.17Å; L136-K139 PolarHBondContact O-N 3.15Å; V137-K139 VanDerWaalsContact C-N 3.3Å; V137-K139 PolarHBondContact O-N 3.29Å; K139-R142 PolarHBondContact O-N 3.38Å; K139-Q143 VanDerWaalsContact O-CG 3.26Å; K139-Q143 WeakPolarHBondContact O-CG 3.46Å; K139-Q143 PolarHBondContact O-N 3.17Å; K139-Q143 VanDerWaalsContact O-N 3.12Å
140S76.3Confident68.3Low66 Ų6689.8 Ų89.846%0.46248%0.484SS..Hα-helixtrans-62.6-44.3176.4173.90000112.3L136 V137 R142 Q143 H144L136-S140 WeakPolarHBondContact O-CB 3.49Å; L136-S140 PolarHBondContact O-N 3Å; V137-S140 PolarHBondContact O-N 3.04Å; S140-R142 VanDerWaalsContact C-N 3.35Å; S140-R142 PolarHBondContact O-N 3.48Å; S140-Q143 PolarHBondContact O-N 2.87Å; S140-Q143 VanDerWaalsContact O-N 3.17Å; S140-H144 PolarHBondContact O-N 3.39Å; S140-H144 VanDerWaalsContact O-N 3.16Å
141T68.9Low67.2Low82 Ų8296 Ų9650%0.50352%0.517SS..Hα-helixtrans-61.3-42.1175.5-63.70000111.8V137 I138 Q143 H144 T145V137-T141 PolarHBondContact O-N 3.12Å; V137-T141 PolarHBondContact O-OG1 3.22Å; I138-T141 PolarHBondContact O-N 2.9Å; T141-Q143 VanDerWaalsContact C-N 3.28Å; T141-Q143 PolarHBondContact O-N 2.95Å; T141-H144 PolarHBondContact O-N 3.07Å; T141-T145 PolarHBondContact O-N 3.45Å; T141-T145 PolarHBondContact O-OG1 2.98Å
142R66.5Low66.2Low178 Ų178106.6 Ų106.667%0.67255%0.553SS**Hα-helixtrans-61.8-33.3175.6-72.9-86.7103.7172.74.6112.8I138 K139 S140I138-R142 HydrophobicContact CG2-CG 4.37Å; I138-R142 WeakPolarHBondContact O-CB 3.48Å; I138-R142 VanDerWaalsContact O-CG 3.24Å; I138-R142 WeakPolarHBondContact O-CG 3.47Å; I138-R142 PolarHBondContact O-N 3.41Å; K139-R142 PolarHBondContact O-N 3.38Å; S140-R142 VanDerWaalsContact C-N 3.35Å; S140-R142 PolarHBondContact O-N 3.48Å
143Q61.8Low64.9Low137 Ų137110.5 Ų110.564%0.6459%0.591SS**Hα-helixtrans-73.5-35.4177.8-65.9-77.6-86.400112.3K139 S140 T141 A146K139-Q143 VanDerWaalsContact O-CG 3.26Å; K139-Q143 WeakPolarHBondContact O-CG 3.46Å; K139-Q143 PolarHBondContact O-N 3.17Å; K139-Q143 VanDerWaalsContact O-N 3.12Å; S140-Q143 PolarHBondContact O-N 2.87Å; S140-Q143 VanDerWaalsContact O-N 3.17Å; T141-Q143 VanDerWaalsContact C-N 3.28Å; T141-Q143 PolarHBondContact O-N 2.95Å; Q143-A146 PolarHBondContact O-N 2.6Å
144H55.6Low64.1Low159 Ų159114.6 Ų114.674%0.73661%0.611SS**Hα-helixtrans-69.8-30.3176.8-98.4-54.5000113.8S140 T141 A146S140-H144 PolarHBondContact O-N 3.39Å; S140-H144 VanDerWaalsContact O-N 3.16Å; T141-H144 PolarHBondContact O-N 3.07Å; H144-A146 PolarHBondContact O-N 3.5Å
145T54.7Low63.3Low107 Ų107120.3 Ų120.366%0.65664%0.642SS**THydrogen-bonded Turntrans-76.3-13.7173.3-48.20000112.7T141T141-T145 PolarHBondContact O-N 3.45Å; T141-T145 PolarHBondContact O-OG1 2.98Å
146A50.2Low62.4Low64 Ų64120.5 Ų120.553%0.52965%0.649SS.*THydrogen-bonded Turntrans-96.410.6-17600000114.2Q143 H144 P148Q143-A146 PolarHBondContact O-N 2.6Å; H144-A146 PolarHBondContact O-N 3.5Å; A146-P148 WeakPolarHBondContact O-CD 3.5Å
147A44.7Very low61.4Low78 Ų78123.1 Ų123.165%0.64566%0.664SS**  trans-80.7102.8163.400000107.6T149A147-T149 PolarHBondContact O-N 2.96Å
148P51Low60.3Low111 Ų111127.2 Ų127.272%0.72168%0.684SS**  trans-65.5134.4167.2-0.821.4000105.8A146 D150A146-P148 WeakPolarHBondContact O-CD 3.5Å; P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 3.25Å
149T58.4Low59.4Low132 Ų132133.1 Ų133.181%0.8172%0.716SS**  trans-43.5101.9147.217.30000107.5A147A147-T149 PolarHBondContact O-N 2.96Å
150D54.3Low58Low158 Ų158133.9 Ų133.985%0.84573%0.729SS**PPolyproline II helixtrans-76.1126.9157.2-163.6-115000106.3P148P148-D150 VanDerWaalsContact C-N 3.27Å; P148-D150 PolarHBondContact O-N 3.25Å
151D57.8Low56.6Low136 Ų136139.1 Ų139.173%0.72775%0.75SS**PPolyproline II helixtrans-62.4151.8-157.7-79.3-84000115.4V153D151-V153 PolarHBondContact O-N 2.89Å
152R59.2Low55.6Low244 Ų244143.8 Ų143.892%0.92177%0.771SS**PPolyproline II helixtrans-58.5126.7156-80.9177.7147.7173.2-5.3109.6
153V53.3Low54.6Low222 Ų222140.7 Ų140.7100%1.34578%0.78SS**  -160.70128.2-101.70000110.9D151D151-V153 PolarHBondContact O-N 2.89Å

Retrieved 153 of 153 residues in 95.1 ms (Link to these results)