A0A5K4F615_SCHMA Loading...

TPR_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F615, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low73.2Confident139 Ų13994.4 Ų94.469%0.68551%0.512SS*.  0126.90-72.1179.160.400106.3E5 V6 K9M1-E5 VanDerWaalsContact CA-OE2 3.26Å; M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.46Å; M1-E5 WeakPolarHBondContact CB-OE2 3.43Å; M1-E5 HydrophobicContact CE-CB 4.01Å; M1-V6 HydrophobicContact CB-CG2 4.08Å; M1-V6 HydrophobicContact CE-CG2 3.75Å; M1-K9 HydrophobicContact CE-CD 3.84Å; M1-K9 VanDerWaalsContact CE-NZ 3.29Å
2S60.6Low74.5Confident69 Ų6991.9 Ų91.948%0.48350%0.498SS..  trans-63.4148.2170.152.30000108.7A4 E5 V6S2-A4 PolarHBondContact O-N 3.31Å; S2-E5 WeakPolarHBondContact O-CB 3.4Å; S2-E5 PolarHBondContact O-N 3.13Å; S2-E5 WeakPolarHBondContact OG-CG 3.31Å; S2-V6 PolarHBondContact O-N 3.28Å
3D68.9Low75.4Confident132 Ų13284.8 Ų84.871%0.70646%0.46SS*.Hα-helixtrans-53.2-32.2178.4-66.2-33.7000111.7E5 V6 I7D3-E5 PolarHBondContact O-N 3.36Å; D3-V6 PolarHBondContact O-N 3.13Å; D3-I7 WeakPolarHBondContact O-CD1 3.18Å; D3-I7 VanDerWaalsContact O-CG1 3.22Å; D3-I7 WeakPolarHBondContact O-CG1 3.21Å; D3-I7 PolarHBondContact O-N 3.23Å
4A72.2Confident76.5Confident68 Ų6884.8 Ų84.856%0.56246%0.459SS*.Hα-helixtrans-60.5-39.2173.900000114S2 V6 C8S2-A4 PolarHBondContact O-N 3.31Å; A4-V6 VanDerWaalsContact C-N 3.33Å; A4-C8 VanDerWaalsContact O-CB 3.31Å; A4-C8 WeakPolarHBondContact O-CB 3.18Å; A4-C8 PolarHBondContact O-N 3.08Å
5E73.2Confident77.5Confident104 Ų10487.3 Ų87.349%0.48647%0.471SS..Hα-helixtrans-68.3-33.5176.1-76.6176.4166.200112.1M1 S2 D3 K9M1-E5 VanDerWaalsContact CA-OE2 3.26Å; M1-E5 WeakPolarHBondContact CA-OE2 3.4Å; M1-E5 HydrophobicContact CB-CB 4.46Å; M1-E5 WeakPolarHBondContact CB-OE2 3.43Å; M1-E5 HydrophobicContact CE-CB 4.01Å; S2-E5 WeakPolarHBondContact O-CB 3.4Å; S2-E5 PolarHBondContact O-N 3.13Å; S2-E5 WeakPolarHBondContact OG-CG 3.31Å; D3-E5 PolarHBondContact O-N 3.36Å; E5-K9 WeakPolarHBondContact O-CG 3.35Å; E5-K9 PolarHBondContact O-N 3.14Å
6V72.3Confident78.3Confident57 Ų5782.5 Ų82.535%0.34545%0.445SS..Hα-helixtrans-71.3-46.5177.1179.80000110.1M1 S2 D3 A4 C8 K9 Q10M1-V6 HydrophobicContact CB-CG2 4.08Å; M1-V6 HydrophobicContact CE-CG2 3.75Å; S2-V6 PolarHBondContact O-N 3.28Å; D3-V6 PolarHBondContact O-N 3.13Å; A4-V6 VanDerWaalsContact C-N 3.33Å; V6-C8 PolarHBondContact O-N 2.81Å; V6-K9 PolarHBondContact O-N 3.29Å; V6-Q10 PolarHBondContact O-N 3.34Å; V6-Q10 VanDerWaalsContact O-N 3.11Å
7I74.7Confident79.2Confident84 Ų8481.1 Ų81.143%0.43143%0.432SS..Hα-helixtrans-59.2-47.3177.7-66.7162.5000110.3D3 K9 Q10 E11D3-I7 WeakPolarHBondContact O-CD1 3.18Å; D3-I7 VanDerWaalsContact O-CG1 3.22Å; D3-I7 WeakPolarHBondContact O-CG1 3.21Å; D3-I7 PolarHBondContact O-N 3.23Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 2.96Å; I7-Q10 PolarHBondContact O-N 3.48Å; I7-Q10 VanDerWaalsContact O-N 3.14Å; I7-E11 HydrophobicContact CG2-CG 4.44Å; I7-E11 WeakPolarHBondContact O-CG 3.49Å; I7-E11 PolarHBondContact O-N 2.97Å
8C80.9Confident79.8Confident79 Ų7979.2 Ų79.253%0.53443%0.43SS..Hα-helixtrans-60.9-35.9179-175.50000112.9A4 V6 L12A4-C8 VanDerWaalsContact O-CB 3.31Å; A4-C8 WeakPolarHBondContact O-CB 3.18Å; A4-C8 PolarHBondContact O-N 3.08Å; V6-C8 PolarHBondContact O-N 2.81Å; C8-L12 WeakPolarHBondContact O-CB 3.33Å; C8-L12 PolarHBondContact O-N 2.96Å; C8-L12 VanDerWaalsContact O-N 3.16Å
9K83.4Confident80.4Confident84 Ų8481.6 Ų81.637%0.36543%0.432SS..Hα-helixtrans-69.7-37175.9-75.3179.2-173.9-177.20112.8M1 E5 V6 I7 S13M1-K9 HydrophobicContact CE-CD 3.84Å; M1-K9 VanDerWaalsContact CE-NZ 3.29Å; E5-K9 WeakPolarHBondContact O-CG 3.35Å; E5-K9 PolarHBondContact O-N 3.14Å; V6-K9 PolarHBondContact O-N 3.29Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 2.96Å; K9-S13 PolarHBondContact O-N 3.1Å; K9-S13 VanDerWaalsContact O-N 3.08Å
10Q83.8Confident81Confident105 Ų10577.5 Ų77.549%0.49141%0.41SS..Hα-helixtrans-67-49.5176.7-73.7179.5-17.600111.3V6 I7 L12 S13 D14V6-Q10 PolarHBondContact O-N 3.34Å; V6-Q10 VanDerWaalsContact O-N 3.11Å; I7-Q10 PolarHBondContact O-N 3.48Å; I7-Q10 VanDerWaalsContact O-N 3.14Å; Q10-L12 VanDerWaalsContact C-N 3.28Å; Q10-L12 PolarHBondContact O-N 2.95Å; Q10-S13 WeakPolarHBondContact O-CA 3.48Å; Q10-S13 VanDerWaalsContact O-CB 3.32Å; Q10-S13 WeakPolarHBondContact O-CB 3.48Å; Q10-S13 PolarHBondContact O-N 3.41Å; Q10-D14 PolarHBondContact O-N 3.45Å
11E87.6Confident81.5Confident117 Ų11776 Ų7655%0.54740%0.403SS..Hα-helixtrans-57.2-41.6177-69.4176.8171.700112I7 D14 L15I7-E11 HydrophobicContact CG2-CG 4.44Å; I7-E11 WeakPolarHBondContact O-CG 3.49Å; I7-E11 PolarHBondContact O-N 2.97Å; E11-D14 PolarHBondContact O-N 2.94Å; E11-L15 WeakPolarHBondContact O-CG 3.47Å; E11-L15 PolarHBondContact O-N 2.93Å
12L88.8Confident83.5Confident65 Ų6575 Ų7534%0.3440%0.399SS..Hα-helixtrans-65-38.6175.9-177.861.8000112.4C8 Q10 L16 Y44C8-L12 WeakPolarHBondContact O-CB 3.33Å; C8-L12 PolarHBondContact O-N 2.96Å; C8-L12 VanDerWaalsContact O-N 3.16Å; Q10-L12 VanDerWaalsContact C-N 3.28Å; Q10-L12 PolarHBondContact O-N 2.95Å; L12-L16 HydrophobicContact CG-CD1 4.3Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.47Å; L12-L16 PolarHBondContact O-N 2.87Å; L12-Y44 HydrophobicContact CD2-CD1 4.32Å; L12-Y44 HydrophobicContact CD2-CD2 3.84Å; L12-Y44 HydrophobicContact CD2-CE1 4.01Å; L12-Y44 HydrophobicContact CD2-CE2 3.47Å; L12-Y44 VanDerWaalsContact CD2-CE2 3.47Å; L12-Y44 HydrophobicContact CD2-CG 4.25Å; L12-Y44 HydrophobicContact CG-CD2 4.2Å; L12-Y44 HydrophobicContact CG-CE2 4.11Å
13S86.6Confident84.9Confident0 Ų072.7 Ų72.70%038%0.382CS..Hα-helixtrans-62.1-43.2175.2-175.40000111.3K9 Q10 L16 Y17 A41K9-S13 PolarHBondContact O-N 3.1Å; K9-S13 VanDerWaalsContact O-N 3.08Å; Q10-S13 WeakPolarHBondContact O-CA 3.48Å; Q10-S13 VanDerWaalsContact O-CB 3.32Å; Q10-S13 WeakPolarHBondContact O-CB 3.48Å; Q10-S13 PolarHBondContact O-N 3.41Å; S13-L16 PolarHBondContact O-N 2.98Å; S13-Y17 PolarHBondContact O-N 3.05Å; S13-A41 PolarHBondContact OG-O 2.95Å
14D90.2Very high85.7Confident84 Ų8467.9 Ų67.945%0.44936%0.358SS..Hα-helixtrans-67.6-39.1-179.7-66.1-17000112Q10 E11 Y17 A18 H48Q10-D14 PolarHBondContact O-N 3.45Å; E11-D14 PolarHBondContact O-N 2.94Å; D14-Y17 PolarHBondContact O-N 3.28Å; D14-A18 WeakPolarHBondContact O-CB 3.47Å; D14-A18 PolarHBondContact O-N 3.32Å; D14-H48 IonicContact OD1-CE1 3.02Å; D14-H48 PolarHBondContact OD1-CE1 3.2Å; D14-H48 IonicContact OD1-ND1 3.98Å; D14-H48 PolarHBondContact OD1-ND1 3.34Å
15L91.1Very high86.4Confident123 Ų12371.6 Ų71.664%0.64436%0.362SS*.Hα-helixtrans-63.6-42.2173.7-72.2173.5000112.2E11 A18 R19E11-L15 WeakPolarHBondContact O-CG 3.47Å; E11-L15 PolarHBondContact O-N 2.93Å; L15-A18 PolarHBondContact O-N 3.38Å; L15-R19 PolarHBondContact O-N 3.15Å
16L91Very high87Confident10 Ų1071.5 Ų71.55%0.05236%0.361CS..Hα-helixtrans-64.9-41.6175.9-73.9170.7000111.4L12 S13 R19 A20 K40 A41 Y44L12-L16 HydrophobicContact CG-CD1 4.3Å; L12-L16 VanDerWaalsContact O-CG 3.3Å; L12-L16 WeakPolarHBondContact O-CG 3.47Å; L12-L16 PolarHBondContact O-N 2.87Å; S13-L16 PolarHBondContact O-N 2.98Å; L16-R19 PolarHBondContact O-N 3.1Å; L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.27Å; L16-K40 HydrophobicContact CD1-CB 4.07Å; L16-K40 HydrophobicContact CD1-CD 4Å; L16-K40 HydrophobicContact CD1-CG 3.82Å; L16-K40 HydrophobicContact CD2-CD 4.28Å; L16-A41 HydrophobicContact CB-CB 3.9Å; L16-A41 HydrophobicContact CD1-CB 4.4Å; L16-Y44 HydrophobicContact CD1-CD2 3.91Å; L16-Y44 HydrophobicContact CD1-CE2 3.94Å
17Y92.7Very high87.3Confident58 Ų5877.4 Ų77.423%0.22739%0.385CS..Hα-helixtrans-60.1-48.6173.4170.9-104.6000112S13 D14 R19 A20 N21 L38 H48 E50 S51 L54S13-Y17 PolarHBondContact O-N 3.05Å; D14-Y17 PolarHBondContact O-N 3.28Å; Y17-R19 VanDerWaalsContact C-N 3.3Å; Y17-R19 PolarHBondContact O-N 2.96Å; Y17-A20 PolarHBondContact O-N 3.28Å; Y17-A20 VanDerWaalsContact O-N 3.14Å; Y17-N21 WeakPolarHBondContact O-CB 3.44Å; Y17-N21 PolarHBondContact O-N 3.32Å; Y17-L38 HydrophobicContact CD2-CD2 4.16Å; Y17-H48 AromaticContact CD2-NE2 3.89Å; Y17-H48 AromaticContact CG-NE2 3.61Å; Y17-E50 HydrophobicContact CD1-CB 4.48Å; Y17-E50 HydrophobicContact CD2-CB 4.09Å; Y17-E50 HydrophobicContact CE1-CB 4.06Å; Y17-E50 HydrophobicContact CE2-CB 3.62Å; Y17-E50 HydrophobicContact CG-CB 4.49Å; Y17-S51 WeakPolarHBondContact CB-OG 3.48Å; Y17-S51 WeakPolarHBondContact CD2-OG 3.41Å; Y17-L54 HydrophobicContact CE2-CB 4.35Å; Y17-L54 HydrophobicContact CE2-CD2 4.1Å
18A90.6Very high87.6Confident47 Ų4774.6 Ų74.639%0.38838%0.376SS..Hα-helixtrans-59.2-43.3179.800000111.3D14 L15 N21 L22D14-A18 WeakPolarHBondContact O-CB 3.47Å; D14-A18 PolarHBondContact O-N 3.32Å; L15-A18 PolarHBondContact O-N 3.38Å; A18-N21 PolarHBondContact O-N 3.36Å; A18-L22 WeakPolarHBondContact O-CG 3.44Å; A18-L22 PolarHBondContact O-N 3.15Å; A18-L22 VanDerWaalsContact O-N 3.14Å
19R92Very high87.7Confident125 Ų12577.8 Ų77.847%0.47238%0.383SS..Hα-helixtrans-62.9-46.6174-170.7172.870.9-178.90.1111.5L15 L16 Y17 N21 L22 L23 D37L15-R19 PolarHBondContact O-N 3.15Å; L16-R19 PolarHBondContact O-N 3.1Å; Y17-R19 VanDerWaalsContact C-N 3.3Å; Y17-R19 PolarHBondContact O-N 2.96Å; R19-N21 VanDerWaalsContact C-N 3.34Å; R19-N21 PolarHBondContact O-N 3.03Å; R19-L22 PolarHBondContact O-N 3.25Å; R19-L23 HydrophobicContact CG-CD1 3.86Å; R19-L23 HydrophobicContact CG-CG 4.33Å; R19-L23 WeakPolarHBondContact O-CB 3.43Å; R19-L23 VanDerWaalsContact O-CG 3.3Å; R19-L23 WeakPolarHBondContact O-CG 3.29Å; R19-L23 PolarHBondContact O-N 2.81Å; R19-D37 IonicContact CZ-OD1 3.7Å; R19-D37 IonicContact CZ-OD2 3.17Å; R19-D37 VanDerWaalsContact CZ-OD2 3.27Å; R19-D37 IonicContact NE-OD1 3.27Å; R19-D37 IonicContact NE-OD2 2.69Å; R19-D37 PolarHBondContact NE-OD2 3.47Å; R19-D37 IonicContact NH2-OD1 2.67Å; R19-D37 PolarHBondContact NH2-OD1 2.89Å; R19-D37 IonicContact NH2-OD2 2.66Å; R19-D37 PolarHBondContact NH2-OD2 3.4Å
20A90.9Very high88Confident0 Ų074.5 Ų74.50%037%0.371CS..Hα-helixtrans-60.9-40.8178.400000112.8L16 Y17 L22 L23 S24 A34 D37 L38L16-A20 WeakPolarHBondContact O-CB 3.42Å; L16-A20 PolarHBondContact O-N 3.27Å; Y17-A20 PolarHBondContact O-N 3.28Å; Y17-A20 VanDerWaalsContact O-N 3.14Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.07Å; A20-L23 PolarHBondContact O-N 3.05Å; A20-S24 VanDerWaalsContact O-CB 3.29Å; A20-S24 WeakPolarHBondContact O-CB 3.4Å; A20-S24 PolarHBondContact O-N 2.97Å; A20-S24 PolarHBondContact O-OG 2.99Å; A20-A34 HydrophobicContact CB-CB 4.27Å; A20-A34 WeakPolarHBondContact O-CB 3.12Å; A20-D37 HydrophobicContact CB-CB 3.87Å; A20-L38 HydrophobicContact CB-CD1 4.33Å; A20-L38 HydrophobicContact CB-CD2 3.83Å; A20-L38 HydrophobicContact CB-CG 3.67Å
21N91.4Very high88.4Confident47 Ų4770.7 Ų70.725%0.25135%0.354SS..Hα-helixtrans-68.6-29.7178.5-170.524.2000112.7Y17 A18 R19 S24 K25 L54Y17-N21 WeakPolarHBondContact O-CB 3.44Å; Y17-N21 PolarHBondContact O-N 3.32Å; A18-N21 PolarHBondContact O-N 3.36Å; R19-N21 VanDerWaalsContact C-N 3.34Å; R19-N21 PolarHBondContact O-N 3.03Å; N21-S24 PolarHBondContact O-OG 3.08Å; N21-S24 VanDerWaalsContact O-OG 3.09Å; N21-K25 WeakPolarHBondContact O-CG 3.41Å; N21-L54 HydrophobicContact CB-CD2 4.17Å
22L90.9Very high88.6Confident117 Ų11767.2 Ų67.261%0.61334%0.338SS*.Hα-helixtrans-73.3-45170.9-70.3172.4000111.2A18 R19 A20 S24 K25A18-L22 WeakPolarHBondContact O-CG 3.44Å; A18-L22 PolarHBondContact O-N 3.15Å; A18-L22 VanDerWaalsContact O-N 3.14Å; R19-L22 PolarHBondContact O-N 3.25Å; A20-L22 VanDerWaalsContact C-N 3.32Å; A20-L22 PolarHBondContact O-N 3.07Å; L22-S24 PolarHBondContact O-N 2.8Å; L22-K25 PolarHBondContact O-N 3.3Å
23L89.4Confident88.7Confident21 Ų2169.7 Ų69.711%0.1135%0.348CS..Hα-helixtrans-67.7-32.5-179.7-71.3173.6000113.1R19 A20 K25 Q26 S30 Q33 A34R19-L23 HydrophobicContact CG-CD1 3.86Å; R19-L23 HydrophobicContact CG-CG 4.33Å; R19-L23 WeakPolarHBondContact O-CB 3.43Å; R19-L23 VanDerWaalsContact O-CG 3.3Å; R19-L23 WeakPolarHBondContact O-CG 3.29Å; R19-L23 PolarHBondContact O-N 2.81Å; A20-L23 PolarHBondContact O-N 3.05Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.16Å; L23-Q26 WeakPolarHBondContact O-CB 3.42Å; L23-Q26 PolarHBondContact O-N 3.34Å; L23-S30 PolarHBondContact O-OG 2.97Å; L23-Q33 HydrophobicContact CD1-CB 3.8Å; L23-A34 HydrophobicContact CB-CB 3.82Å
24S86.7Confident89Confident30 Ų3069.7 Ų69.721%0.2135%0.348CS..Hα-helixtrans-69.2-25.4178.167.80000113.1A20 N21 L22 Q26A20-S24 VanDerWaalsContact O-CB 3.29Å; A20-S24 WeakPolarHBondContact O-CB 3.4Å; A20-S24 PolarHBondContact O-N 2.97Å; A20-S24 PolarHBondContact O-OG 2.99Å; N21-S24 PolarHBondContact O-OG 3.08Å; N21-S24 VanDerWaalsContact O-OG 3.09Å; L22-S24 PolarHBondContact O-N 2.8Å; S24-Q26 VanDerWaalsContact C-N 3.31Å
25K86.6Confident89.2Confident147 Ų14765.9 Ų65.964%0.63933%0.327SS*.THydrogen-bonded Turntrans-80.9-13.6174.4-66.9174.3-175178.50112.9N21 L22 L23N21-K25 WeakPolarHBondContact O-CG 3.41Å; L22-K25 PolarHBondContact O-N 3.3Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.16Å
26Q85.7Confident89.4Confident102 Ų10264.6 Ų64.648%0.47732%0.315SS..SBendtrans-82.3170.7172.4-63.6177.5-1.100110.7L23 S24 S30L23-Q26 WeakPolarHBondContact O-CB 3.42Å; L23-Q26 PolarHBondContact O-N 3.34Å; S24-Q26 VanDerWaalsContact C-N 3.31Å; Q26-S30 WeakPolarHBondContact CB-OG 3.43Å
27H77.8Confident89.5Confident181 Ų18164.7 Ų64.784%0.83832%0.315SS*.  trans-106.7147.7-178.5-63-50.3000112.6S30H27-S30 PolarHBondContact O-OG 2.9Å
28G82Confident89.6Confident24 Ų2462 Ų6225%0.24731%0.305CS..THydrogen-bonded Turntrans83.7-134.3170.400000113.7S30 I31G28-S30 PolarHBondContact O-N 3.23Å; G28-I31 WeakPolarHBondContact O-CG1 3.31Å; G28-I31 PolarHBondContact O-N 3.39Å
29Q83.9Confident89.7Confident146 Ų14662.5 Ų62.568%0.68230%0.298SS*.THydrogen-bonded Turntrans-66.8-16-172.1-67.6178.4-12.400113.9I31 I32 Y90Q29-I31 PolarHBondContact O-N 3.48Å; Q29-I32 HydrophobicContact CB-CD1 4.38Å; Q29-I32 HydrophobicContact CG-CD1 4.41Å; Q29-I32 WeakPolarHBondContact O-CB 3.43Å; Q29-I32 PolarHBondContact O-N 3.13Å; Q29-Y90 HydrophobicContact CG-CE1 4.14Å
30S89Confident89.7Confident15 Ų1561 Ų6111%0.10530%0.295CS..Hα-helixtrans-60-31.4173.859.90000112.6L23 Q26 H27 G28 I32 Q33 A34L23-S30 PolarHBondContact O-OG 2.97Å; Q26-S30 WeakPolarHBondContact CB-OG 3.43Å; H27-S30 PolarHBondContact O-OG 2.9Å; G28-S30 PolarHBondContact O-N 3.23Å; S30-I32 VanDerWaalsContact C-N 3.26Å; S30-I32 PolarHBondContact O-N 3.3Å; S30-Q33 WeakPolarHBondContact O-CB 3.09Å; S30-Q33 PolarHBondContact O-N 3.05Å; S30-Q33 VanDerWaalsContact O-N 3.16Å; S30-A34 PolarHBondContact O-N 2.75Å; S30-A34 VanDerWaalsContact O-N 3.08Å
31I91.1Very high89.8Confident26 Ų2661 Ų6113%0.13330%0.295CS..Hα-helixtrans-66-32.1-179.7-55172.4000110.7G28 Q29 Q33 A34 Y35 L58 Y90G28-I31 WeakPolarHBondContact O-CG1 3.31Å; G28-I31 PolarHBondContact O-N 3.39Å; Q29-I31 PolarHBondContact O-N 3.48Å; I31-Q33 VanDerWaalsContact C-N 3.32Å; I31-Q33 PolarHBondContact O-N 3.37Å; I31-A34 WeakPolarHBondContact O-CB 3.31Å; I31-A34 PolarHBondContact O-N 3.11Å; I31-Y35 PolarHBondContact O-N 3.21Å; I31-L58 HydrophobicContact CG2-CD2 4.08Å; I31-Y90 CarbonylContact C-O 3.38Å; I31-Y90 WeakPolarHBondContact CG2-O 3.37Å
32I92Very high89.9Confident44 Ų4460.1 Ų60.123%0.22629%0.29CS..Hα-helixtrans-61-44.6174.8-59.3172.8000110Q29 S30 Y35 Y36 Y90 P93Q29-I32 HydrophobicContact CB-CD1 4.38Å; Q29-I32 HydrophobicContact CG-CD1 4.41Å; Q29-I32 WeakPolarHBondContact O-CB 3.43Å; Q29-I32 PolarHBondContact O-N 3.13Å; S30-I32 VanDerWaalsContact C-N 3.26Å; S30-I32 PolarHBondContact O-N 3.3Å; I32-Y35 WeakPolarHBondContact O-CB 3.48Å; I32-Y35 PolarHBondContact O-N 3.49Å; I32-Y36 HydrophobicContact CG2-CD2 3.88Å; I32-Y36 HydrophobicContact CG2-CE2 3.57Å; I32-Y36 WeakPolarHBondContact O-CD2 3.37Å; I32-Y36 PolarHBondContact O-N 3.32Å; I32-Y36 VanDerWaalsContact O-N 3.17Å; I32-Y90 HydrophobicContact CD1-CD1 3.76Å; I32-Y90 HydrophobicContact CD1-CE1 4.14Å; I32-Y90 HydrophobicContact CG1-CD1 3.94Å; I32-P93 HydrophobicContact CG2-CB 4.12Å; I32-P93 HydrophobicContact CG2-CG 4.05Å
33Q92.1Very high89.9Confident117 Ų11763.4 Ų63.455%0.54730%0.295SS..Hα-helixtrans-65.9-40.5177.8-66.9-179.8-12.800111.2L23 S30 I31 Y35 Y36 D37L23-Q33 HydrophobicContact CD1-CB 3.8Å; S30-Q33 WeakPolarHBondContact O-CB 3.09Å; S30-Q33 PolarHBondContact O-N 3.05Å; S30-Q33 VanDerWaalsContact O-N 3.16Å; I31-Q33 VanDerWaalsContact C-N 3.32Å; I31-Q33 PolarHBondContact O-N 3.37Å; Q33-Y35 VanDerWaalsContact C-N 3.3Å; Q33-Y35 PolarHBondContact O-N 3.35Å; Q33-Y36 PolarHBondContact O-N 3.27Å; Q33-D37 WeakPolarHBondContact O-CB 3.34Å; Q33-D37 PolarHBondContact O-N 3.06Å
34A92.4Very high89.9Confident0 Ų066.6 Ų66.60%031%0.306CS..Hα-helixtrans-56.7-43.9173.400000111.8A20 L23 S30 I31 D37 L38A20-A34 HydrophobicContact CB-CB 4.27Å; A20-A34 WeakPolarHBondContact O-CB 3.12Å; L23-A34 HydrophobicContact CB-CB 3.82Å; S30-A34 PolarHBondContact O-N 2.75Å; S30-A34 VanDerWaalsContact O-N 3.08Å; I31-A34 WeakPolarHBondContact O-CB 3.31Å; I31-A34 PolarHBondContact O-N 3.11Å; A34-D37 PolarHBondContact O-N 3.24Å; A34-L38 WeakPolarHBondContact O-CD1 3.36Å; A34-L38 VanDerWaalsContact O-CG 3.22Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 2.87Å
35Y94.3Very high90.1Very high3 Ų366 Ų661%0.01230%0.302CS..Hα-helixtrans-59.1-50.1177.2-178.5-89.5000112.4I31 I32 Q33 D37 L38 K39 L55 A91 Q92 P93 E94I31-Y35 PolarHBondContact O-N 3.21Å; I32-Y35 WeakPolarHBondContact O-CB 3.48Å; I32-Y35 PolarHBondContact O-N 3.49Å; Q33-Y35 VanDerWaalsContact C-N 3.3Å; Q33-Y35 PolarHBondContact O-N 3.35Å; Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-D37 PolarHBondContact O-N 3.28Å; Y35-L38 PolarHBondContact O-N 2.89Å; Y35-K39 HydrophobicContact CD1-CG 4.22Å; Y35-K39 HydrophobicContact CE1-CD 4.49Å; Y35-K39 HydrophobicContact CE1-CG 3.8Å; Y35-K39 VanDerWaalsContact CZ-CE 3.45Å; Y35-K39 PolarHBondContact O-N 2.99Å; Y35-K39 WeakPolarHBondContact OH-CE 3.18Å; Y35-L55 HydrophobicContact CD2-CD1 3.58Å; Y35-L55 HydrophobicContact CE2-CD1 3.44Å; Y35-L55 VanDerWaalsContact CE2-CD1 3.44Å; Y35-L55 HydrophobicContact CG-CD1 4.43Å; Y35-A91 WeakPolarHBondContact CD2-O 3.33Å; Y35-Q92 HydrophobicContact CE2-CB 4.43Å; Y35-Q92 HydrophobicContact CE2-CG 3.97Å; Y35-P93 HydrophobicContact CD1-CG 3.54Å; Y35-P93 HydrophobicContact CE1-CG 4.1Å; Y35-P93 HydrophobicContact CG-CG 3.91Å; Y35-E94 HydrophobicContact CE1-CB 4.25Å; Y35-E94 HydrophobicContact CE1-CG 3.81Å; Y35-E94 PolarHBondContact OH-OE2 3.43Å
36Y94.1Very high90.2Very high96 Ų9663.7 Ų63.738%0.37630%0.301SS..Hα-helixtrans-67-34179.7-73.3-60.5000112.7I32 Q33 K39 K40 P93 E94I32-Y36 HydrophobicContact CG2-CD2 3.88Å; I32-Y36 HydrophobicContact CG2-CE2 3.57Å; I32-Y36 WeakPolarHBondContact O-CD2 3.37Å; I32-Y36 PolarHBondContact O-N 3.32Å; I32-Y36 VanDerWaalsContact O-N 3.17Å; Q33-Y36 PolarHBondContact O-N 3.27Å; Y36-K39 PolarHBondContact O-N 3.28Å; Y36-K40 VanDerWaalsContact O-CB 3.24Å; Y36-K40 WeakPolarHBondContact O-CB 3.5Å; Y36-K40 PolarHBondContact O-N 3.2Å; Y36-P93 HydrophobicContact CE2-CB 4.4Å; Y36-P93 HydrophobicContact CE2-CG 3.95Å; Y36-E94 HydrophobicContact CE1-CG 4.08Å; Y36-E94 WeakPolarHBondContact CE1-OE1 3.44Å
37D93.3Very high90.3Very high13 Ų1366.5 Ų66.57%0.0732%0.319CS..Hα-helixtrans-64.2-42.2174.4-74.5-13000111.9R19 A20 Q33 A34 Y35 K40 A41R19-D37 IonicContact CZ-OD1 3.7Å; R19-D37 IonicContact CZ-OD2 3.17Å; R19-D37 VanDerWaalsContact CZ-OD2 3.27Å; R19-D37 IonicContact NE-OD1 3.27Å; R19-D37 IonicContact NE-OD2 2.69Å; R19-D37 PolarHBondContact NE-OD2 3.47Å; R19-D37 IonicContact NH2-OD1 2.67Å; R19-D37 PolarHBondContact NH2-OD1 2.89Å; R19-D37 IonicContact NH2-OD2 2.66Å; R19-D37 PolarHBondContact NH2-OD2 3.4Å; A20-D37 HydrophobicContact CB-CB 3.87Å; Q33-D37 WeakPolarHBondContact O-CB 3.34Å; Q33-D37 PolarHBondContact O-N 3.06Å; A34-D37 PolarHBondContact O-N 3.24Å; Y35-D37 VanDerWaalsContact C-N 3.32Å; Y35-D37 PolarHBondContact O-N 3.28Å; D37-K40 PolarHBondContact O-N 3.47Å; D37-A41 WeakPolarHBondContact O-CB 3.27Å; D37-A41 PolarHBondContact O-N 3.48Å
38L94.6Very high90.9Very high0 Ų058.8 Ų58.80%028%0.284CS..Hα-helixtrans-64.6-44.6175.2-67.7163.5000111.6Y17 A20 A34 Y35 K40 A41 L42 L54 L55 L58Y17-L38 HydrophobicContact CD2-CD2 4.16Å; A20-L38 HydrophobicContact CB-CD1 4.33Å; A20-L38 HydrophobicContact CB-CD2 3.83Å; A20-L38 HydrophobicContact CB-CG 3.67Å; A34-L38 WeakPolarHBondContact O-CD1 3.36Å; A34-L38 VanDerWaalsContact O-CG 3.22Å; A34-L38 WeakPolarHBondContact O-CG 3.46Å; A34-L38 PolarHBondContact O-N 2.87Å; Y35-L38 PolarHBondContact O-N 2.89Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 3.25Å; L38-A41 PolarHBondContact O-N 3.45Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 3.18Å; L38-L54 HydrophobicContact CD1-CB 4.27Å; L38-L54 HydrophobicContact CD1-CD2 4.09Å; L38-L54 HydrophobicContact CD1-CG 3.85Å; L38-L54 HydrophobicContact CD2-CB 4.14Å; L38-L54 HydrophobicContact CD2-CD2 4.04Å; L38-L54 HydrophobicContact CD2-CG 4.29Å; L38-L55 HydrophobicContact CB-CB 4.28Å; L38-L55 HydrophobicContact CB-CD1 4.3Å; L38-L55 HydrophobicContact CD1-CB 4.33Å; L38-L58 HydrophobicContact CD1-CD1 3.71Å
39K93.5Very high91.3Very high58 Ų5862.6 Ų62.625%0.25230%0.298SS..Hα-helixtrans-59.2-42.1173.4-74.8-71-169.6-175.60111.3Y35 Y36 R43 L55Y35-K39 HydrophobicContact CD1-CG 4.22Å; Y35-K39 HydrophobicContact CE1-CD 4.49Å; Y35-K39 HydrophobicContact CE1-CG 3.8Å; Y35-K39 VanDerWaalsContact CZ-CE 3.45Å; Y35-K39 PolarHBondContact O-N 2.99Å; Y35-K39 WeakPolarHBondContact OH-CE 3.18Å; Y36-K39 PolarHBondContact O-N 3.28Å; K39-R43 VanDerWaalsContact O-CG 3.3Å; K39-R43 WeakPolarHBondContact O-CG 3.48Å; K39-R43 PolarHBondContact O-N 2.76Å; K39-L55 HydrophobicContact CD-CD2 4.03Å
40K93Very high91.7Very high95 Ų9560.3 Ų60.341%0.41329%0.287SS..Hα-helixtrans-67.8-40.7178.7-167.7-179.4-177.4-178.50111.6L16 Y36 D37 L38 R43 Y44L16-K40 HydrophobicContact CD1-CB 4.07Å; L16-K40 HydrophobicContact CD1-CD 4Å; L16-K40 HydrophobicContact CD1-CG 3.82Å; L16-K40 HydrophobicContact CD2-CD 4.28Å; Y36-K40 VanDerWaalsContact O-CB 3.24Å; Y36-K40 WeakPolarHBondContact O-CB 3.5Å; Y36-K40 PolarHBondContact O-N 3.2Å; D37-K40 PolarHBondContact O-N 3.47Å; L38-K40 VanDerWaalsContact C-N 3.28Å; L38-K40 PolarHBondContact O-N 3.25Å; K40-R43 WeakPolarHBondContact O-CB 3.41Å; K40-R43 PolarHBondContact O-N 3.3Å; K40-Y44 HydrophobicContact CD-CE2 4.24Å; K40-Y44 WeakPolarHBondContact CE-OH 3.41Å; K40-Y44 HydrophobicContact CG-CD2 4.27Å; K40-Y44 HydrophobicContact CG-CE2 3.67Å; K40-Y44 WeakPolarHBondContact O-CD2 3.39Å; K40-Y44 PolarHBondContact O-N 3.22Å
41A92.3Very high91.8Very high0 Ų059.6 Ų59.60%028%0.282CS..Hα-helixtrans-58.5-50.117400000111.1S13 L16 D37 L38 R43 Y44 C45S13-A41 PolarHBondContact OG-O 2.95Å; L16-A41 HydrophobicContact CB-CB 3.9Å; L16-A41 HydrophobicContact CD1-CB 4.4Å; D37-A41 WeakPolarHBondContact O-CB 3.27Å; D37-A41 PolarHBondContact O-N 3.48Å; L38-A41 PolarHBondContact O-N 3.45Å; A41-R43 VanDerWaalsContact C-N 3.27Å; A41-R43 PolarHBondContact O-N 3.2Å; A41-Y44 PolarHBondContact O-N 3.31Å; A41-C45 PolarHBondContact O-N 3.04Å
42L93.3Very high91.9Very high28 Ų2864.6 Ų64.615%0.14730%0.3CS..Hα-helixtrans-65.5-26.2177.9-68.6171.7000113.7L38 C45 P46 L55L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 3.18Å; L42-C45 CarbonylContact O-C 3.45Å; L42-P46 VanDerWaalsContact O-CA 3.32Å; L42-P46 WeakPolarHBondContact O-CA 3.34Å; L42-L55 HydrophobicContact CD1-CD2 3.55Å
43R91.3Very high92Very high186 Ų18666 Ų6670%0.70231%0.309SS*.Hα-helixtrans-67.6-34.8170.9-76.2174.2-174.9-171.43.6112.2K39 K40 A41K39-R43 VanDerWaalsContact O-CG 3.3Å; K39-R43 WeakPolarHBondContact O-CG 3.48Å; K39-R43 PolarHBondContact O-N 2.76Å; K40-R43 WeakPolarHBondContact O-CB 3.41Å; K40-R43 PolarHBondContact O-N 3.3Å; A41-R43 VanDerWaalsContact C-N 3.27Å; A41-R43 PolarHBondContact O-N 3.2Å
44Y90.1Very high92Very high88 Ų8861.3 Ų61.335%0.34529%0.287SS..Hα-helixtrans-81.6-40.6176.8-67.6-63.5000112.5L12 L16 K40 A41L12-Y44 HydrophobicContact CD2-CD1 4.32Å; L12-Y44 HydrophobicContact CD2-CD2 3.84Å; L12-Y44 HydrophobicContact CD2-CE1 4.01Å; L12-Y44 HydrophobicContact CD2-CE2 3.47Å; L12-Y44 VanDerWaalsContact CD2-CE2 3.47Å; L12-Y44 HydrophobicContact CD2-CG 4.25Å; L12-Y44 HydrophobicContact CG-CD2 4.2Å; L12-Y44 HydrophobicContact CG-CE2 4.11Å; L16-Y44 HydrophobicContact CD1-CD2 3.91Å; L16-Y44 HydrophobicContact CD1-CE2 3.94Å; K40-Y44 HydrophobicContact CD-CE2 4.24Å; K40-Y44 WeakPolarHBondContact CE-OH 3.41Å; K40-Y44 HydrophobicContact CG-CD2 4.27Å; K40-Y44 HydrophobicContact CG-CE2 3.67Å; K40-Y44 WeakPolarHBondContact O-CD2 3.39Å; K40-Y44 PolarHBondContact O-N 3.22Å; A41-Y44 PolarHBondContact O-N 3.31Å
45C89.2Confident92.1Very high18 Ų1861.8 Ų61.812%0.12229%0.289CS..  trans-134.890.9179.1-74.30000111A41 L42 N47 H48A41-C45 PolarHBondContact O-N 3.04Å; L42-C45 CarbonylContact O-C 3.45Å; C45-N47 PolarHBondContact O-N 3.39Å; C45-N47 VanDerWaalsContact O-N 3.13Å; C45-H48 HydrophobicContact CB-CB 4.05Å; C45-H48 WeakPolarHBondContact O-CB 3.5Å; C45-H48 PolarHBondContact O-N 2.9Å; C45-H48 VanDerWaalsContact O-N 3.12Å
46P89.4Confident92.1Very high97 Ų9765.6 Ų65.663%0.6331%0.307SS*.THydrogen-bonded Turntrans-58.9-25.8-179.5-27.135.3000114.9L42L42-P46 VanDerWaalsContact O-CA 3.32Å; L42-P46 WeakPolarHBondContact O-CA 3.34Å
47N88Confident92.1Very high161 Ų16166.3 Ų66.386%0.86131%0.314SS*.THydrogen-bonded Turntrans-915.6-178.4-65.1-6.7000113.7C45 L49C45-N47 PolarHBondContact O-N 3.39Å; C45-N47 VanDerWaalsContact O-N 3.13Å; N47-L49 PolarHBondContact O-N 3.4Å; N47-L49 VanDerWaalsContact O-N 3.07Å
48H90.5Very high92.1Very high19 Ų1966.2 Ų66.29%0.08831%0.314CS..  trans-72.9103.6179.6178.5103.4000109.5D14 Y17 C45 E50 S51 Y52D14-H48 IonicContact OD1-CE1 3.02Å; D14-H48 PolarHBondContact OD1-CE1 3.2Å; D14-H48 IonicContact OD1-ND1 3.98Å; D14-H48 PolarHBondContact OD1-ND1 3.34Å; Y17-H48 AromaticContact CD2-NE2 3.89Å; Y17-H48 AromaticContact CG-NE2 3.61Å; C45-H48 HydrophobicContact CB-CB 4.05Å; C45-H48 WeakPolarHBondContact O-CB 3.5Å; C45-H48 PolarHBondContact O-N 2.9Å; C45-H48 VanDerWaalsContact O-N 3.12Å; H48-E50 IonicContact NE2-OE2 2.57Å; H48-E50 PolarHBondContact O-N 3.46Å; H48-S51 WeakPolarHBondContact CD2-CB 3.2Å; H48-S51 PolarHBondContact CD2-N 2.77Å; H48-S51 PolarHBondContact CD2-OG 2.97Å; H48-S51 PolarHBondContact NE2-N 2.72Å; H48-S51 PolarHBondContact NE2-OG 3.43Å; H48-Y52 PolarHBondContact O-N 2.98Å
49L90.6Very high92.1Very high105 Ų10569.1 Ų69.155%0.5533%0.327SS..Hα-helixtrans-67.7-38.5-166.2-178.661.4000112.6N47 Y52 N53N47-L49 PolarHBondContact O-N 3.4Å; N47-L49 VanDerWaalsContact O-N 3.07Å; L49-Y52 PolarHBondContact O-N 3.14Å; L49-N53 WeakPolarHBondContact O-CB 3.44Å; L49-N53 PolarHBondContact O-N 2.85Å; L49-N53 PolarHBondContact O-ND2 3.43Å
50E91.6Very high92.2Very high97 Ų9770 Ų7045%0.45333%0.334SS..Hα-helixtrans-68.4-44.4-176.1-6680.1177.600111.8Y17 H48 Y52 N53 L54Y17-E50 HydrophobicContact CD1-CB 4.48Å; Y17-E50 HydrophobicContact CD2-CB 4.09Å; Y17-E50 HydrophobicContact CE1-CB 4.06Å; Y17-E50 HydrophobicContact CE2-CB 3.62Å; Y17-E50 HydrophobicContact CG-CB 4.49Å; H48-E50 IonicContact NE2-OE2 2.57Å; H48-E50 PolarHBondContact O-N 3.46Å; E50-Y52 VanDerWaalsContact C-N 3.35Å; E50-N53 PolarHBondContact O-N 3.46Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.16Å
51S91.4Very high92.2Very high0 Ų069.2 Ų69.20%033%0.333CS..Hα-helixtrans-63.5-39.8172.6-63.30000112Y17 H48 L55Y17-S51 WeakPolarHBondContact CB-OG 3.48Å; Y17-S51 WeakPolarHBondContact CD2-OG 3.41Å; H48-S51 WeakPolarHBondContact CD2-CB 3.2Å; H48-S51 PolarHBondContact CD2-N 2.77Å; H48-S51 PolarHBondContact CD2-OG 2.97Å; H48-S51 PolarHBondContact NE2-N 2.72Å; H48-S51 PolarHBondContact NE2-OG 3.43Å; S51-L55 VanDerWaalsContact O-CB 3.23Å; S51-L55 WeakPolarHBondContact O-CB 3.41Å; S51-L55 PolarHBondContact O-N 3.38Å
52Y93Very high92.4Very high131 Ų13169.2 Ų69.251%0.51433%0.333SS..Hα-helixtrans-61.8-47.5175.3-179.8-93.9000111.2H48 L49 E50 L54 L55 H56H48-Y52 PolarHBondContact O-N 2.98Å; L49-Y52 PolarHBondContact O-N 3.14Å; E50-Y52 VanDerWaalsContact C-N 3.35Å; Y52-L54 PolarHBondContact O-N 3.48Å; Y52-L55 PolarHBondContact O-N 2.84Å; Y52-H56 WeakPolarHBondContact O-CB 3.25Å; Y52-H56 PolarHBondContact O-N 3.33Å
53N94Very high92.5Very high75 Ų7570.3 Ų70.340%0.40134%0.343SS..Hα-helixtrans-62.6-44.2179.5-72.5-22.5000112.3L49 E50 H56 Q57L49-N53 WeakPolarHBondContact O-CB 3.44Å; L49-N53 PolarHBondContact O-N 2.85Å; L49-N53 PolarHBondContact O-ND2 3.43Å; E50-N53 PolarHBondContact O-N 3.46Å; N53-H56 PolarHBondContact O-N 3.24Å; N53-Q57 VanDerWaalsContact O-CG 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.33Å; N53-Q57 PolarHBondContact O-N 2.91Å
54L92.8Very high92.8Very high17 Ų1765.9 Ų65.99%0.08933%0.334CS..Hα-helixtrans-68-39.2178.6-176.557.4000111.6Y17 N21 L38 E50 Y52 Q57 L58Y17-L54 HydrophobicContact CE2-CB 4.35Å; Y17-L54 HydrophobicContact CE2-CD2 4.1Å; N21-L54 HydrophobicContact CB-CD2 4.17Å; L38-L54 HydrophobicContact CD1-CB 4.27Å; L38-L54 HydrophobicContact CD1-CD2 4.09Å; L38-L54 HydrophobicContact CD1-CG 3.85Å; L38-L54 HydrophobicContact CD2-CB 4.14Å; L38-L54 HydrophobicContact CD2-CD2 4.04Å; L38-L54 HydrophobicContact CD2-CG 4.29Å; E50-L54 WeakPolarHBondContact O-CB 3.29Å; E50-L54 PolarHBondContact O-N 3.16Å; Y52-L54 PolarHBondContact O-N 3.48Å; L54-Q57 WeakPolarHBondContact O-CB 3.37Å; L54-Q57 PolarHBondContact O-N 3.23Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 3.3Å
55L94Very high93.1Very high10 Ų1064.4 Ų64.45%0.05233%0.329CS..Hα-helixtrans-61.8-45.8174.2-177.563.5000111.1Y35 L38 K39 L42 S51 Y52 Q57 L58 E59Y35-L55 HydrophobicContact CD2-CD1 3.58Å; Y35-L55 HydrophobicContact CE2-CD1 3.44Å; Y35-L55 VanDerWaalsContact CE2-CD1 3.44Å; Y35-L55 HydrophobicContact CG-CD1 4.43Å; L38-L55 HydrophobicContact CB-CB 4.28Å; L38-L55 HydrophobicContact CB-CD1 4.3Å; L38-L55 HydrophobicContact CD1-CB 4.33Å; K39-L55 HydrophobicContact CD-CD2 4.03Å; L42-L55 HydrophobicContact CD1-CD2 3.55Å; S51-L55 VanDerWaalsContact O-CB 3.23Å; S51-L55 WeakPolarHBondContact O-CB 3.41Å; S51-L55 PolarHBondContact O-N 3.38Å; Y52-L55 PolarHBondContact O-N 2.84Å; L55-Q57 VanDerWaalsContact C-N 3.32Å; L55-Q57 PolarHBondContact O-N 3.45Å; L55-L58 WeakPolarHBondContact O-CB 3.33Å; L55-L58 PolarHBondContact O-N 3.42Å; L55-L58 VanDerWaalsContact O-N 3.16Å; L55-E59 WeakPolarHBondContact O-CG 3.12Å; L55-E59 PolarHBondContact O-N 3.07Å
56H94.1Very high93.4Very high84 Ų8464.7 Ų64.739%0.38933%0.328SS..Hα-helixtrans-63-37177-174.4-97000112.2Y52 N53 E59 I60Y52-H56 WeakPolarHBondContact O-CB 3.25Å; Y52-H56 PolarHBondContact O-N 3.33Å; N53-H56 PolarHBondContact O-N 3.24Å; H56-E59 PolarHBondContact O-N 3Å; H56-I60 VanDerWaalsContact CE1-CD1 3.45Å; H56-I60 WeakPolarHBondContact CE1-CD1 3.26Å; H56-I60 WeakPolarHBondContact ND1-CD1 3.5Å; H56-I60 WeakPolarHBondContact O-CG1 3.31Å; H56-I60 PolarHBondContact O-N 3.41Å
57Q93.5Very high93.7Very high111 Ų11164.3 Ų64.352%0.51932%0.318SS..Hα-helixtrans-61.7-43.3172.2-75172.77.400112.1N53 L54 L55 E59 I60 I61N53-Q57 VanDerWaalsContact O-CG 3.29Å; N53-Q57 WeakPolarHBondContact O-CG 3.33Å; N53-Q57 PolarHBondContact O-N 2.91Å; L54-Q57 WeakPolarHBondContact O-CB 3.37Å; L54-Q57 PolarHBondContact O-N 3.23Å; L55-Q57 VanDerWaalsContact C-N 3.32Å; L55-Q57 PolarHBondContact O-N 3.45Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; Q57-I60 PolarHBondContact O-N 3.19Å; Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.41Å; Q57-I61 PolarHBondContact O-N 3.12Å
58L93.4Very high94.1Very high11 Ų1160 Ų606%0.05829%0.293CS..Hα-helixtrans-62.8-40.6175.2-68.3177.8000111.7I31 L38 L54 L55 I61 S62I31-L58 HydrophobicContact CG2-CD2 4.08Å; L38-L58 HydrophobicContact CD1-CD1 3.71Å; L54-L58 WeakPolarHBondContact O-CG 3.42Å; L54-L58 PolarHBondContact O-N 3.3Å; L55-L58 WeakPolarHBondContact O-CB 3.33Å; L55-L58 PolarHBondContact O-N 3.42Å; L55-L58 VanDerWaalsContact O-N 3.16Å; L58-I61 PolarHBondContact O-N 3.45Å; L58-S62 WeakPolarHBondContact O-CB 3.19Å; L58-S62 PolarHBondContact O-N 3.49Å
59E94.6Very high94.4Very high61 Ų6159 Ų5929%0.28529%0.288SS..Hα-helixtrans-64-40176.3-70.5177.6166.600112.1L55 H56 Q57 S62 S63L55-E59 WeakPolarHBondContact O-CG 3.12Å; L55-E59 PolarHBondContact O-N 3.07Å; H56-E59 PolarHBondContact O-N 3Å; Q57-E59 VanDerWaalsContact C-N 3.34Å; E59-S62 WeakPolarHBondContact O-CB 3.27Å; E59-S62 PolarHBondContact O-N 3.35Å; E59-S63 PolarHBondContact O-N 3.35Å
60I95.8Very high94.6Very high77 Ų7756.6 Ų56.640%0.39528%0.275SS..Hα-helixtrans-62.6-46.1172.5-69165.5000110.9H56 Q57 S62 S63 N64H56-I60 VanDerWaalsContact CE1-CD1 3.45Å; H56-I60 WeakPolarHBondContact CE1-CD1 3.26Å; H56-I60 WeakPolarHBondContact ND1-CD1 3.5Å; H56-I60 WeakPolarHBondContact O-CG1 3.31Å; H56-I60 PolarHBondContact O-N 3.41Å; Q57-I60 PolarHBondContact O-N 3.19Å; I60-S62 VanDerWaalsContact C-N 3.31Å; I60-S62 PolarHBondContact O-N 3.5Å; I60-S63 PolarHBondContact O-N 2.79Å; I60-N64 VanDerWaalsContact O-CG 3.3Å; I60-N64 PolarHBondContact O-N 3.17Å; I60-N64 PolarHBondContact O-ND2 3.29Å
61I93.9Very high94.7Very high78 Ų7857 Ų5740%0.428%0.277SS..Hα-helixtrans-59.9-44.7178.3-69.5164.1000110.4Q57 L58 N64 K65 A91Q57-I61 VanDerWaalsContact O-CG1 3.27Å; Q57-I61 WeakPolarHBondContact O-CG1 3.41Å; Q57-I61 PolarHBondContact O-N 3.12Å; L58-I61 PolarHBondContact O-N 3.45Å; I61-N64 PolarHBondContact O-N 2.87Å; I61-K65 HydrophobicContact CG2-CG 4.42Å; I61-K65 WeakPolarHBondContact O-CB 3.47Å; I61-K65 WeakPolarHBondContact O-CG 3.3Å; I61-K65 PolarHBondContact O-N 2.88Å; I61-A91 HydrophobicContact CG2-CB 4.33Å
62S95.8Very high94.9Very high0 Ų057.9 Ų57.90%028%0.282CS..Hα-helixtrans-56.1-52175.6174.90000111.6L58 E59 I60 N64 K65 Q66 A88 Q92L58-S62 WeakPolarHBondContact O-CB 3.19Å; L58-S62 PolarHBondContact O-N 3.49Å; E59-S62 WeakPolarHBondContact O-CB 3.27Å; E59-S62 PolarHBondContact O-N 3.35Å; I60-S62 VanDerWaalsContact C-N 3.31Å; I60-S62 PolarHBondContact O-N 3.5Å; S62-N64 PolarHBondContact O-N 2.99Å; S62-K65 PolarHBondContact O-N 3.42Å; S62-Q66 WeakPolarHBondContact O-CB 3.36Å; S62-Q66 PolarHBondContact O-N 3.48Å; S62-A88 WeakPolarHBondContact O-CB 3.43Å; S62-A88 PolarHBondContact OG-O 2.84Å; S62-Q92 WeakPolarHBondContact OG-CB 3.19Å; S62-Q92 PolarHBondContact OG-OE1 3.09Å
63S95.6Very high94.9Very high51 Ų5153.8 Ų53.836%0.35727%0.268SS..Hα-helixtrans-59.9-46.3179.6-1720000112.2E59 I60 K65 Q66 E67E59-S63 PolarHBondContact O-N 3.35Å; I60-S63 PolarHBondContact O-N 2.79Å; S63-K65 VanDerWaalsContact C-N 3.34Å; S63-K65 PolarHBondContact O-N 3.07Å; S63-Q66 PolarHBondContact O-N 3.32Å; S63-E67 PolarHBondContact O-N 2.99Å
64N96.7Very high94.7Very high93 Ų9354.6 Ų54.650%0.49727%0.272SS..Hα-helixtrans-62.9-41.6179.3-69.9-15.4000111.6I60 I61 S62 E67 E68I60-N64 VanDerWaalsContact O-CG 3.3Å; I60-N64 PolarHBondContact O-N 3.17Å; I60-N64 PolarHBondContact O-ND2 3.29Å; I61-N64 PolarHBondContact O-N 2.87Å; S62-N64 PolarHBondContact O-N 2.99Å; N64-E67 PolarHBondContact O-N 3.39Å; N64-E68 WeakPolarHBondContact O-CB 3.35Å; N64-E68 PolarHBondContact O-N 3.04Å
65K96.9Very high94.7Very high57 Ų5759.5 Ų59.525%0.24829%0.292CS..Hα-helixtrans-72.3-30.9178.9-75.3-69.7174.9-164.40113.2I61 S62 S63 E68 A69 I87 A88I61-K65 HydrophobicContact CG2-CG 4.42Å; I61-K65 WeakPolarHBondContact O-CB 3.47Å; I61-K65 WeakPolarHBondContact O-CG 3.3Å; I61-K65 PolarHBondContact O-N 2.88Å; S62-K65 PolarHBondContact O-N 3.42Å; S63-K65 VanDerWaalsContact C-N 3.34Å; S63-K65 PolarHBondContact O-N 3.07Å; K65-E68 WeakPolarHBondContact CD-OE2 3.27Å; K65-E68 WeakPolarHBondContact CE-OE2 3.37Å; K65-E68 IonicContact NZ-OE1 2.58Å; K65-E68 PolarHBondContact NZ-OE1 2.66Å; K65-E68 IonicContact NZ-OE2 3.01Å; K65-E68 PolarHBondContact NZ-OE2 2.77Å; K65-A69 WeakPolarHBondContact O-CB 3.4Å; K65-A69 PolarHBondContact O-N 2.88Å; K65-I87 HydrophobicContact CD-CB 4.5Å; K65-I87 HydrophobicContact CD-CG2 4.32Å; K65-I87 HydrophobicContact CG-CB 4.4Å; K65-I87 HydrophobicContact CG-CG2 3.95Å; K65-A88 HydrophobicContact CB-CB 3.92Å
66Q96.7Very high94.6Very high24 Ų2464.2 Ų64.211%0.11232%0.318CS..Hα-helixtrans-64.2-47.4170.3-174-175.816.100111S62 S63 E68 A69 I70 I85 A88 L98 D101S62-Q66 WeakPolarHBondContact O-CB 3.36Å; S62-Q66 PolarHBondContact O-N 3.48Å; S63-Q66 PolarHBondContact O-N 3.32Å; Q66-E68 VanDerWaalsContact C-N 3.34Å; Q66-E68 PolarHBondContact O-N 3.17Å; Q66-A69 WeakPolarHBondContact O-CB 3.47Å; Q66-A69 PolarHBondContact O-N 3.44Å; Q66-I70 HydrophobicContact CG-CD1 4.17Å; Q66-I70 WeakPolarHBondContact O-CG1 3.26Å; Q66-I70 PolarHBondContact O-N 3.39Å; Q66-I85 HydrophobicContact CG-CD1 4.16Å; Q66-A88 HydrophobicContact CB-CB 4.45Å; Q66-L98 HydrophobicContact CB-CD2 3.75Å; Q66-L98 HydrophobicContact CG-CD2 3.56Å; Q66-D101 PolarHBondContact NE2-OD2 2.77Å
67E95.8Very high94.7Very high88 Ų8866.5 Ų66.541%0.41132%0.323SS..Hα-helixtrans-60.5-44.2177.3-71.2-170.9174.100111.7S63 N64 A69 I70 E71S63-E67 PolarHBondContact O-N 2.99Å; N64-E67 PolarHBondContact O-N 3.39Å; E67-A69 VanDerWaalsContact C-N 3.35Å; E67-A69 PolarHBondContact O-N 3.32Å; E67-I70 PolarHBondContact O-N 3.27Å; E67-E71 PolarHBondContact O-N 2.99Å
68E96.5Very high94.7Very high70 Ų7063.2 Ų63.233%0.32731%0.307SS..Hα-helixtrans-59.5-43.9174.3-172.2-168.7133.500111.8N64 K65 Q66 I70 E71 L72 S84N64-E68 WeakPolarHBondContact O-CB 3.35Å; N64-E68 PolarHBondContact O-N 3.04Å; K65-E68 WeakPolarHBondContact CD-OE2 3.27Å; K65-E68 WeakPolarHBondContact CE-OE2 3.37Å; K65-E68 IonicContact NZ-OE1 2.58Å; K65-E68 PolarHBondContact NZ-OE1 2.66Å; K65-E68 IonicContact NZ-OE2 3.01Å; K65-E68 PolarHBondContact NZ-OE2 2.77Å; Q66-E68 VanDerWaalsContact C-N 3.34Å; Q66-E68 PolarHBondContact O-N 3.17Å; E68-I70 VanDerWaalsContact C-N 3.33Å; E68-I70 PolarHBondContact O-N 2.95Å; E68-E71 PolarHBondContact O-N 3.18Å; E68-L72 HydrophobicContact CG-CD1 3.99Å; E68-L72 WeakPolarHBondContact O-CB 3.08Å; E68-L72 VanDerWaalsContact O-CG 3.27Å; E68-L72 WeakPolarHBondContact O-CG 3.45Å; E68-L72 PolarHBondContact O-N 3.32Å; E68-S84 PolarHBondContact OE1-OG 3.33Å
69A96.3Very high94.8Very high0 Ų069.9 Ų69.90%034%0.336CS..Hα-helixtrans-61.4-42.1178.100000111.9K65 Q66 E67 L72 M73 S81 I85K65-A69 WeakPolarHBondContact O-CB 3.4Å; K65-A69 PolarHBondContact O-N 2.88Å; Q66-A69 WeakPolarHBondContact O-CB 3.47Å; Q66-A69 PolarHBondContact O-N 3.44Å; E67-A69 VanDerWaalsContact C-N 3.35Å; E67-A69 PolarHBondContact O-N 3.32Å; A69-L72 PolarHBondContact O-N 3.1Å; A69-M73 WeakPolarHBondContact O-CB 3.28Å; A69-M73 PolarHBondContact O-N 3.32Å; A69-S81 WeakPolarHBondContact O-CB 3.36Å; A69-S81 PolarHBondContact O-OG 3.13Å; A69-I85 HydrophobicContact CB-CB 3.83Å; A69-I85 HydrophobicContact CB-CD1 4.21Å
70I94Very high94.9Very high53 Ų5370.1 Ų70.127%0.27234%0.339SS..Hα-helixtrans-65.3-44.5176.8-66.6165.5000110.3Q66 E67 E68 L72 M73 L74 Y458Q66-I70 HydrophobicContact CG-CD1 4.17Å; Q66-I70 WeakPolarHBondContact O-CG1 3.26Å; Q66-I70 PolarHBondContact O-N 3.39Å; E67-I70 PolarHBondContact O-N 3.27Å; E68-I70 VanDerWaalsContact C-N 3.33Å; E68-I70 PolarHBondContact O-N 2.95Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 3.21Å; I70-M73 WeakPolarHBondContact O-CB 3.46Å; I70-M73 PolarHBondContact O-N 2.83Å; I70-L74 HydrophobicContact CG2-CD1 4.12Å; I70-L74 VanDerWaalsContact O-CG 3.3Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.47Å; I70-Y458 WeakPolarHBondContact CG2-OH 3.35Å
71E94.8Very high94.9Very high105 Ų10566.5 Ų66.549%0.49132%0.32SS..Hα-helixtrans-60-44.4176.8-170.5-174.4164.300111.8E67 E68 M73 L74 K75E67-E71 PolarHBondContact O-N 2.99Å; E68-E71 PolarHBondContact O-N 3.18Å; E71-M73 VanDerWaalsContact C-N 3.35Å; E71-L74 PolarHBondContact O-N 3.45Å; E71-K75 WeakPolarHBondContact O-CG 3.5Å; E71-K75 PolarHBondContact O-N 2.85Å; E71-K75 VanDerWaalsContact O-N 3.14Å; E71-K75 WeakPolarHBondContact OE1-CE 3.44Å; E71-K75 IonicContact OE1-NZ 3.53Å; E71-K75 PolarHBondContact OE1-NZ 3.13Å
72L95.8Very high95.1Very high19 Ų1963.7 Ų63.710%0.09931%0.306CS..Hα-helixtrans-65-38.3176.4-71.2167000112.1E68 A69 I70 L74 K75 N76 R77 D80E68-L72 HydrophobicContact CG-CD1 3.99Å; E68-L72 WeakPolarHBondContact O-CB 3.08Å; E68-L72 VanDerWaalsContact O-CG 3.27Å; E68-L72 WeakPolarHBondContact O-CG 3.45Å; E68-L72 PolarHBondContact O-N 3.32Å; A69-L72 PolarHBondContact O-N 3.1Å; I70-L72 VanDerWaalsContact C-N 3.34Å; I70-L72 PolarHBondContact O-N 3.21Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.49Å; L72-K75 CarbonylContact O-C 3.59Å; L72-K75 PolarHBondContact O-N 3.25Å; L72-N76 PolarHBondContact O-N 3.29Å; L72-R77 HydrophobicContact CB-CB 4.4Å; L72-R77 HydrophobicContact CD2-CB 4.18Å; L72-R77 PolarHBondContact O-N 3.21Å; L72-D80 HydrophobicContact CD1-CB 3.86Å; L72-D80 HydrophobicContact CD2-CB 4.16Å; L72-D80 HydrophobicContact CG-CB 4.48Å
73M92Very high95.2Very high46 Ų4669.4 Ų69.423%0.22733%0.332CS..Hα-helixtrans-60.4-43.1176.1-175.3-178.2175.900111.2A69 I70 E71 K75 N76 F78 A104 I105 K108A69-M73 WeakPolarHBondContact O-CB 3.28Å; A69-M73 PolarHBondContact O-N 3.32Å; I70-M73 WeakPolarHBondContact O-CB 3.46Å; I70-M73 PolarHBondContact O-N 2.83Å; E71-M73 VanDerWaalsContact C-N 3.35Å; M73-K75 VanDerWaalsContact C-N 3.3Å; M73-K75 PolarHBondContact O-N 2.88Å; M73-N76 WeakPolarHBondContact O-CA 3.02Å; M73-N76 PolarHBondContact O-N 2.88Å; M73-F78 HydrophobicContact CG-CD1 4.37Å; M73-F78 HydrophobicContact CG-CE1 4.2Å; M73-A104 HydrophobicContact CE-CB 4.15Å; M73-I105 HydrophobicContact CG-CG1 4.24Å; M73-I105 HydrophobicContact SD-CG1 3.83Å; M73-K108 HydrophobicContact CE-CG 4.23Å
74L90.3Very high95.2Very high91 Ų9167.1 Ų67.148%0.47632%0.317SS..Hα-helixtrans-69-30178.6-65.2163.3000112.6I70 E71 L72 N76 Y458I70-L74 HydrophobicContact CG2-CD1 4.12Å; I70-L74 VanDerWaalsContact O-CG 3.3Å; I70-L74 WeakPolarHBondContact O-CG 3.44Å; I70-L74 PolarHBondContact O-N 3.47Å; E71-L74 PolarHBondContact O-N 3.45Å; L72-L74 VanDerWaalsContact C-N 3.32Å; L72-L74 PolarHBondContact O-N 3.49Å; L74-N76 PolarHBondContact O-N 3.03Å; L74-Y458 HydrophobicContact CD1-CD1 3.99Å; L74-Y458 HydrophobicContact CD1-CE1 3.2Å; L74-Y458 HydrophobicContact CD1-CE2 3.96Å; L74-Y458 VanDerWaalsContact CD1-OH 3.3Å; L74-Y458 WeakPolarHBondContact CD1-OH 3.47Å; L74-Y458 HydrophobicContact CD2-CE2 4.28Å
75K93.1Very high95.3Very high120 Ų12062.8 Ų62.852%0.52229%0.293SS..THydrogen-bonded Turntrans-789.4171.1-66.1175.9-174173.20113E71 L72 M73 R77E71-K75 WeakPolarHBondContact O-CG 3.5Å; E71-K75 PolarHBondContact O-N 2.85Å; E71-K75 VanDerWaalsContact O-N 3.14Å; E71-K75 WeakPolarHBondContact OE1-CE 3.44Å; E71-K75 IonicContact OE1-NZ 3.53Å; E71-K75 PolarHBondContact OE1-NZ 3.13Å; L72-K75 CarbonylContact O-C 3.59Å; L72-K75 PolarHBondContact O-N 3.25Å; M73-K75 VanDerWaalsContact C-N 3.3Å; M73-K75 PolarHBondContact O-N 2.88Å; K75-R77 HydrophobicContact CB-CG 4.41Å; K75-R77 PolarHBondContact O-N 3.4Å; K75-R77 VanDerWaalsContact O-N 3.1Å
76N91.9Very high95.2Very high110 Ų11061.1 Ų61.159%0.58829%0.288SS*.THydrogen-bonded Turntrans56.320-174.5-65.5-47000114.4L72 M73 L74 F78L72-N76 PolarHBondContact O-N 3.29Å; M73-N76 WeakPolarHBondContact O-CA 3.02Å; M73-N76 PolarHBondContact O-N 2.88Å; L74-N76 PolarHBondContact O-N 3.03Å; N76-F78 VanDerWaalsContact C-N 3.3Å; N76-F78 HydrophobicContact CB-CE2 4.11Å; N76-F78 HydrophobicContact CB-CZ 4.1Å; N76-F78 WeakPolarHBondContact O-CD2 3.16Å; N76-F78 PolarHBondContact O-N 3.19Å; N76-F78 VanDerWaalsContact O-N 3.14Å; N76-F78 VanDerWaalsContact OD1-CZ 3.27Å; N76-F78 WeakPolarHBondContact OD1-CZ 3.32Å
77R94.8Very high95.2Very high131 Ų13162.1 Ų62.149%0.49429%0.294SS..  trans-88.766.4175.5-69.4-17963.2174.2-0.1110.1L72 K75 F79 D80 S81L72-R77 HydrophobicContact CB-CB 4.4Å; L72-R77 HydrophobicContact CD2-CB 4.18Å; L72-R77 PolarHBondContact O-N 3.21Å; K75-R77 HydrophobicContact CB-CG 4.41Å; K75-R77 PolarHBondContact O-N 3.4Å; K75-R77 VanDerWaalsContact O-N 3.1Å; R77-F79 PolarHBondContact O-N 3.33Å; R77-D80 HydrophobicContact CB-CB 4.42Å; R77-D80 IonicContact CZ-OD2 3.99Å; R77-D80 IonicContact NE-OD2 2.61Å; R77-D80 PolarHBondContact NE-OD2 3.4Å; R77-D80 IonicContact NH2-OD1 3.49Å; R77-D80 IonicContact NH2-OD2 3.36Å; R77-D80 PolarHBondContact NH2-OD2 3.09Å; R77-D80 PolarHBondContact O-N 3.46Å; R77-S81 VanDerWaalsContact O-CB 3.32Å; R77-S81 WeakPolarHBondContact O-CB 3.38Å; R77-S81 PolarHBondContact O-N 3.42Å
78F93.8Very high95.2Very high42 Ų4258 Ų5818%0.18427%0.274CS..Hα-helixtrans-65.5-33.8-169.5-58.3-59.8000114.5M73 N76 L82 I105 K108 L109M73-F78 HydrophobicContact CG-CD1 4.37Å; M73-F78 HydrophobicContact CG-CE1 4.2Å; N76-F78 VanDerWaalsContact C-N 3.3Å; N76-F78 HydrophobicContact CB-CE2 4.11Å; N76-F78 HydrophobicContact CB-CZ 4.1Å; N76-F78 WeakPolarHBondContact O-CD2 3.16Å; N76-F78 PolarHBondContact O-N 3.19Å; N76-F78 VanDerWaalsContact O-N 3.14Å; N76-F78 VanDerWaalsContact OD1-CZ 3.27Å; N76-F78 WeakPolarHBondContact OD1-CZ 3.32Å; F78-L82 VanDerWaalsContact O-CB 3.31Å; F78-L82 WeakPolarHBondContact O-CB 3.49Å; F78-L82 PolarHBondContact O-N 3.16Å; F78-I105 WeakPolarHBondContact O-CG2 3.35Å; F78-K108 HydrophobicContact CD1-CB 3.83Å; F78-K108 HydrophobicContact CD1-CG 4.42Å; F78-K108 HydrophobicContact CE1-CB 3.7Å; F78-K108 HydrophobicContact CE1-CD 4.41Å; F78-K108 HydrophobicContact CE1-CG 3.91Å; F78-K108 HydrophobicContact CE2-CB 4.38Å; F78-K108 HydrophobicContact CG-CB 4.25Å; F78-K108 HydrophobicContact CZ-CB 3.99Å; F78-K108 HydrophobicContact CZ-CD 4.35Å; F78-K108 HydrophobicContact CZ-CG 4.29Å; F78-L109 HydrophobicContact CB-CD1 4.22Å; F78-L109 HydrophobicContact CB-CD2 3.52Å; F78-L109 HydrophobicContact CB-CG 3.73Å; F78-L109 HydrophobicContact CG-CD2 4.42Å
79F95.8Very high95.2Very high152 Ų15255.1 Ų55.167%0.66726%0.261SS*.Hα-helixtrans-66.6-44.6177.3-71.3-77.9000112.1R77 L82 H83 L109R77-F79 PolarHBondContact O-N 3.33Å; F79-L82 PolarHBondContact O-N 3.44Å; F79-H83 PolarHBondContact O-N 3.11Å; F79-L109 HydrophobicContact CD1-CD2 4.4Å; F79-L109 HydrophobicContact CD2-CD2 4.22Å; F79-L109 HydrophobicContact CE1-CD2 4.14Å; F79-L109 HydrophobicContact CE2-CD2 3.95Å; F79-L109 HydrophobicContact CG-CD2 4.44Å; F79-L109 HydrophobicContact CZ-CD2 3.91Å
80D96.5Very high95.1Very high66 Ų6657.8 Ų57.835%0.35327%0.272SS..Hα-helixtrans-68.2-41.9177.4-56.8-44.2000110.7L72 R77 L82 H83 S84L72-D80 HydrophobicContact CD1-CB 3.86Å; L72-D80 HydrophobicContact CD2-CB 4.16Å; L72-D80 HydrophobicContact CG-CB 4.48Å; R77-D80 HydrophobicContact CB-CB 4.42Å; R77-D80 IonicContact CZ-OD2 3.99Å; R77-D80 IonicContact NE-OD2 2.61Å; R77-D80 PolarHBondContact NE-OD2 3.4Å; R77-D80 IonicContact NH2-OD1 3.49Å; R77-D80 IonicContact NH2-OD2 3.36Å; R77-D80 PolarHBondContact NH2-OD2 3.09Å; R77-D80 PolarHBondContact O-N 3.46Å; D80-L82 VanDerWaalsContact C-N 3.29Å; D80-L82 PolarHBondContact O-N 3.36Å; D80-H83 WeakPolarHBondContact O-CB 3.42Å; D80-H83 PolarHBondContact O-N 3.28Å; D80-H83 VanDerWaalsContact O-N 3.09Å; D80-S84 PolarHBondContact O-N 3.44Å; D80-S84 PolarHBondContact O-OG 2.93Å
81S96.9Very high95.1Very high0 Ų055.4 Ų55.40%026%0.26CS..Hα-helixtrans-56.1-43.7173.41800000111.7A69 R77 H83 S84 I85 I105A69-S81 WeakPolarHBondContact O-CB 3.36Å; A69-S81 PolarHBondContact O-OG 3.13Å; R77-S81 VanDerWaalsContact O-CB 3.32Å; R77-S81 WeakPolarHBondContact O-CB 3.38Å; R77-S81 PolarHBondContact O-N 3.42Å; S81-H83 VanDerWaalsContact C-N 3.32Å; S81-H83 PolarHBondContact O-N 2.99Å; S81-S84 PolarHBondContact O-N 3.04Å; S81-I85 WeakPolarHBondContact O-CG2 3.16Å; S81-I85 PolarHBondContact O-N 2.91Å; S81-I105 WeakPolarHBondContact OG-CD1 3.45Å; S81-I105 WeakPolarHBondContact OG-CG1 3.38Å
82L97.7Very high95.1Very high19 Ų1952.1 Ų52.110%0.09925%0.245CC..Hα-helixtrans-64.2-36.4176.5-176.962.4000112.3F78 F79 D80 I85 T86 K102 I105 L106 L109F78-L82 VanDerWaalsContact O-CB 3.31Å; F78-L82 WeakPolarHBondContact O-CB 3.49Å; F78-L82 PolarHBondContact O-N 3.16Å; F79-L82 PolarHBondContact O-N 3.44Å; D80-L82 VanDerWaalsContact C-N 3.29Å; D80-L82 PolarHBondContact O-N 3.36Å; L82-I85 HydrophobicContact CD1-CG2 4.26Å; L82-I85 WeakPolarHBondContact O-CG2 3.4Å; L82-T86 VanDerWaalsContact O-CB 3.3Å; L82-T86 WeakPolarHBondContact O-CB 3.47Å; L82-T86 PolarHBondContact O-N 3.45Å; L82-T86 VanDerWaalsContact O-N 3.16Å; L82-T86 PolarHBondContact O-OG1 2.66Å; L82-K102 HydrophobicContact CD1-CD 4.45Å; L82-K102 HydrophobicContact CD1-CG 3.98Å; L82-I105 HydrophobicContact CB-CG2 3.91Å; L82-I105 HydrophobicContact CD1-CG2 4.38Å; L82-L106 HydrophobicContact CD1-CD2 3.87Å; L82-L106 HydrophobicContact CD1-CG 3.99Å; L82-L106 HydrophobicContact CD2-CD2 3.89Å; L82-L109 HydrophobicContact CB-CD1 4.4Å; L82-L109 HydrophobicContact CD2-CD1 3.86Å
83H96.5Very high95Very high120 Ų12051.4 Ų51.456%0.55624%0.241SC*.Hα-helixtrans-66.2-49.7175-174.971.6000111.2F79 D80 S81 I85 T86 I87F79-H83 PolarHBondContact O-N 3.11Å; D80-H83 WeakPolarHBondContact O-CB 3.42Å; D80-H83 PolarHBondContact O-N 3.28Å; D80-H83 VanDerWaalsContact O-N 3.09Å; S81-H83 VanDerWaalsContact C-N 3.32Å; S81-H83 PolarHBondContact O-N 2.99Å; H83-I85 PolarHBondContact O-N 3.12Å; H83-T86 WeakPolarHBondContact O-CB 3.46Å; H83-T86 PolarHBondContact O-N 2.8Å; H83-T86 VanDerWaalsContact O-N 3.16Å; H83-I87 PolarHBondContact O-N 3.41Å; H83-I87 VanDerWaalsContact O-N 3.08Å
84S96.9Very high94.9Very high4 Ų450.5 Ų50.53%0.02824%0.236CC..Hα-helixtrans-64-41.3-178.8-58.70000112.3E68 D80 S81 T86 I87 A88E68-S84 PolarHBondContact OE1-OG 3.33Å; D80-S84 PolarHBondContact O-N 3.44Å; D80-S84 PolarHBondContact O-OG 2.93Å; S81-S84 PolarHBondContact O-N 3.04Å; S84-T86 VanDerWaalsContact C-N 3.29Å; S84-T86 PolarHBondContact O-N 3.1Å; S84-I87 PolarHBondContact O-N 2.68Å; S84-A88 PolarHBondContact O-N 3.32Å
85I97.6Very high95Very high1 Ų147.9 Ų47.91%0.00522%0.223CC..Hα-helixtrans-67.2-32.1175.8-161.464.8000112.1Q66 A69 S81 L82 H83 A88 I89 L98 D101 K102 I105Q66-I85 HydrophobicContact CG-CD1 4.16Å; A69-I85 HydrophobicContact CB-CB 3.83Å; A69-I85 HydrophobicContact CB-CD1 4.21Å; S81-I85 WeakPolarHBondContact O-CG2 3.16Å; S81-I85 PolarHBondContact O-N 2.91Å; L82-I85 HydrophobicContact CD1-CG2 4.26Å; L82-I85 WeakPolarHBondContact O-CG2 3.4Å; H83-I85 PolarHBondContact O-N 3.12Å; I85-A88 HydrophobicContact CD1-CB 4.41Å; I85-A88 WeakPolarHBondContact O-CB 3.45Å; I85-A88 PolarHBondContact O-N 3.03Å; I85-I89 WeakPolarHBondContact O-CG1 3.46Å; I85-I89 PolarHBondContact O-N 3.41Å; I85-L98 HydrophobicContact CD1-CB 4.35Å; I85-L98 HydrophobicContact CD1-CD2 3.82Å; I85-D101 HydrophobicContact CD1-CB 3.9Å; I85-D101 HydrophobicContact CG1-CB 4.26Å; I85-K102 HydrophobicContact CG1-CB 4.06Å; I85-K102 HydrophobicContact CG2-CB 3.9Å; I85-K102 HydrophobicContact CG2-CD 4.44Å; I85-K102 HydrophobicContact CG2-CG 4.1Å; I85-I105 HydrophobicContact CB-CD1 4.08Å; I85-I105 HydrophobicContact CG1-CD1 4.47Å; I85-I105 HydrophobicContact CG2-CD1 3.84Å
86T96.6Very high94.9Very high22 Ų2242.9 Ų42.914%0.13520%0.202CC..Hα-helixtrans-67.2-39.6177-63.20000110.9L82 H83 S84 A88 I89 Y90L82-T86 VanDerWaalsContact O-CB 3.3Å; L82-T86 WeakPolarHBondContact O-CB 3.47Å; L82-T86 PolarHBondContact O-N 3.45Å; L82-T86 VanDerWaalsContact O-N 3.16Å; L82-T86 PolarHBondContact O-OG1 2.66Å; H83-T86 WeakPolarHBondContact O-CB 3.46Å; H83-T86 PolarHBondContact O-N 2.8Å; H83-T86 VanDerWaalsContact O-N 3.16Å; S84-T86 VanDerWaalsContact C-N 3.29Å; S84-T86 PolarHBondContact O-N 3.1Å; T86-A88 VanDerWaalsContact C-N 3.34Å; T86-I89 PolarHBondContact O-N 3.13Å; T86-Y90 HydrophobicContact CG2-CD2 4.32Å; T86-Y90 HydrophobicContact CG2-CE1 3.89Å; T86-Y90 HydrophobicContact CG2-CE2 3.63Å; T86-Y90 WeakPolarHBondContact CG2-OH 3.4Å; T86-Y90 VanDerWaalsContact O-CG 3.25Å; T86-Y90 PolarHBondContact O-N 3.48Å
87I95.1Very high94.9Very high46 Ų4639 Ų3924%0.23618%0.183CC..Hα-helixtrans-62.9-41.8172-63.6169.5000110.8K65 H83 S84 I89 Y90 A91K65-I87 HydrophobicContact CD-CB 4.5Å; K65-I87 HydrophobicContact CD-CG2 4.32Å; K65-I87 HydrophobicContact CG-CB 4.4Å; K65-I87 HydrophobicContact CG-CG2 3.95Å; H83-I87 PolarHBondContact O-N 3.41Å; H83-I87 VanDerWaalsContact O-N 3.08Å; S84-I87 PolarHBondContact O-N 2.68Å; I87-I89 VanDerWaalsContact C-N 3.33Å; I87-I89 PolarHBondContact O-N 2.91Å; I87-Y90 PolarHBondContact O-N 3.18Å; I87-A91 PolarHBondContact O-N 2.92Å
88A96.4Very high94.9Very high0 Ų032.7 Ų32.70%016%0.159CC..Hα-helixtrans-58.9-45.1176.600000111.7S62 K65 Q66 S84 I85 T86 Y90 A91 Q92 L98S62-A88 WeakPolarHBondContact O-CB 3.43Å; S62-A88 PolarHBondContact OG-O 2.84Å; K65-A88 HydrophobicContact CB-CB 3.92Å; Q66-A88 HydrophobicContact CB-CB 4.45Å; S84-A88 PolarHBondContact O-N 3.32Å; I85-A88 HydrophobicContact CD1-CB 4.41Å; I85-A88 WeakPolarHBondContact O-CB 3.45Å; I85-A88 PolarHBondContact O-N 3.03Å; T86-A88 VanDerWaalsContact C-N 3.34Å; A88-Y90 VanDerWaalsContact C-N 3.33Å; A88-Y90 PolarHBondContact O-N 3Å; A88-A91 PolarHBondContact O-N 2.84Å; A88-Q92 PolarHBondContact O-N 3.31Å; A88-L98 HydrophobicContact CB-CD1 4.09Å; A88-L98 HydrophobicContact CB-CD2 4.01Å
89I96.4Very high95Very high10 Ų1031.8 Ų31.85%0.05116%0.155CC..Hα-helixtrans-62.7-40.1176.5-67.4167.7000111.2I85 T86 I87 A91 Q92 P93 L98 Y99 K102I85-I89 WeakPolarHBondContact O-CG1 3.46Å; I85-I89 PolarHBondContact O-N 3.41Å; T86-I89 PolarHBondContact O-N 3.13Å; I87-I89 VanDerWaalsContact C-N 3.33Å; I87-I89 PolarHBondContact O-N 2.91Å; I89-A91 VanDerWaalsContact C-N 3.29Å; I89-A91 PolarHBondContact O-N 3.1Å; I89-Q92 CarbonylContact O-C 3.23Å; I89-Q92 VanDerWaalsContact O-C 3.23Å; I89-Q92 PolarHBondContact O-N 3.37Å; I89-P93 VanDerWaalsContact O-CA 3.28Å; I89-P93 WeakPolarHBondContact O-CA 3.14Å; I89-P93 WeakPolarHBondContact O-CD 3.43Å; I89-L98 HydrophobicContact CD1-CB 4.3Å; I89-L98 HydrophobicContact CG1-CB 3.53Å; I89-L98 HydrophobicContact CG1-CD1 4.12Å; I89-L98 HydrophobicContact CG1-CG 4.46Å; I89-Y99 HydrophobicContact CD1-CD1 4.44Å; I89-Y99 HydrophobicContact CG2-CE1 4.09Å; I89-K102 HydrophobicContact CD1-CB 4.03Å; I89-K102 HydrophobicContact CD1-CD 3.48Å; I89-K102 VanDerWaalsContact CD1-CD 3.48Å; I89-K102 HydrophobicContact CD1-CG 4.38Å
90Y94.9Very high94.9Very high57 Ų5724.6 Ų24.622%0.22412%0.123CC..Hα-helixtrans-61.7-38.9176.2-65.1-20.6000112.4Q29 I31 I32 T86 I87 A88Q29-Y90 HydrophobicContact CG-CE1 4.14Å; I31-Y90 CarbonylContact C-O 3.38Å; I31-Y90 WeakPolarHBondContact CG2-O 3.37Å; I32-Y90 HydrophobicContact CD1-CD1 3.76Å; I32-Y90 HydrophobicContact CD1-CE1 4.14Å; I32-Y90 HydrophobicContact CG1-CD1 3.94Å; T86-Y90 HydrophobicContact CG2-CD2 4.32Å; T86-Y90 HydrophobicContact CG2-CE1 3.89Å; T86-Y90 HydrophobicContact CG2-CE2 3.63Å; T86-Y90 WeakPolarHBondContact CG2-OH 3.4Å; T86-Y90 VanDerWaalsContact O-CG 3.25Å; T86-Y90 PolarHBondContact O-N 3.48Å; I87-Y90 PolarHBondContact O-N 3.18Å; A88-Y90 VanDerWaalsContact C-N 3.33Å; A88-Y90 PolarHBondContact O-N 3Å
91A93.9Very high94.8Very high3 Ų322.9 Ų22.93%0.02511%0.114CC..Hα-helixtrans-74.7-29.4178.200000113.3Y35 I61 I87 A88 I89Y35-A91 WeakPolarHBondContact CD2-O 3.33Å; I61-A91 HydrophobicContact CG2-CB 4.33Å; I87-A91 PolarHBondContact O-N 2.92Å; A88-A91 PolarHBondContact O-N 2.84Å; I89-A91 VanDerWaalsContact C-N 3.29Å; I89-A91 PolarHBondContact O-N 3.1Å
92Q94Very high94.8Very high36 Ų3625.4 Ų25.417%0.16813%0.125CC..  trans-143.377178.9-161.4-176.116.200112.2Y35 S62 A88 I89 E94 N95 L98Y35-Q92 HydrophobicContact CE2-CB 4.43Å; Y35-Q92 HydrophobicContact CE2-CG 3.97Å; S62-Q92 WeakPolarHBondContact OG-CB 3.19Å; S62-Q92 PolarHBondContact OG-OE1 3.09Å; A88-Q92 PolarHBondContact O-N 3.31Å; I89-Q92 CarbonylContact O-C 3.23Å; I89-Q92 VanDerWaalsContact O-C 3.23Å; I89-Q92 PolarHBondContact O-N 3.37Å; Q92-E94 PolarHBondContact O-N 3.17Å; Q92-N95 HydrophobicContact CB-CB 4.22Å; Q92-N95 HydrophobicContact CG-CB 3.77Å; Q92-N95 WeakPolarHBondContact O-CB 3.48Å; Q92-N95 PolarHBondContact O-N 2.95Å; Q92-N95 VanDerWaalsContact O-N 3.12Å; Q92-N95 PolarHBondContact OE1-ND2 3.38Å; Q92-L98 HydrophobicContact CB-CD1 4.45Å
93P93.8Very high94.8Very high3 Ų324.5 Ų24.52%0.01912%0.12CC..THydrogen-bonded Turntrans-67.5-18.4-176.227.6-37.5000114I32 Y35 Y36 I89 N95 Y99I32-P93 HydrophobicContact CG2-CB 4.12Å; I32-P93 HydrophobicContact CG2-CG 4.05Å; Y35-P93 HydrophobicContact CD1-CG 3.54Å; Y35-P93 HydrophobicContact CE1-CG 4.1Å; Y35-P93 HydrophobicContact CG-CG 3.91Å; Y36-P93 HydrophobicContact CE2-CB 4.4Å; Y36-P93 HydrophobicContact CE2-CG 3.95Å; I89-P93 VanDerWaalsContact O-CA 3.28Å; I89-P93 WeakPolarHBondContact O-CA 3.14Å; I89-P93 WeakPolarHBondContact O-CD 3.43Å; P93-N95 VanDerWaalsContact C-N 3.33Å; P93-Y99 VanDerWaalsContact O-CE2 3.28Å; P93-Y99 WeakPolarHBondContact O-CE2 3.35Å; P93-Y99 PolarHBondContact O-OH 3.3Å
94E91.1Very high94.6Very high27 Ų2719 Ų1913%0.12610%0.095CC..THydrogen-bonded Turntrans-85.1-5.1176.5-66177.8170.100113Y35 Y36 Q92 I96 W129Y35-E94 HydrophobicContact CE1-CB 4.25Å; Y35-E94 HydrophobicContact CE1-CG 3.81Å; Y35-E94 PolarHBondContact OH-OE2 3.43Å; Y36-E94 HydrophobicContact CE1-CG 4.08Å; Y36-E94 WeakPolarHBondContact CE1-OE1 3.44Å; Q92-E94 PolarHBondContact O-N 3.17Å; E94-I96 PolarHBondContact O-N 3.44Å; E94-I96 VanDerWaalsContact O-N 3.13Å; E94-W129 HydrophobicContact CB-CH2 4.46Å; E94-W129 HydrophobicContact CB-CZ2 4.21Å; E94-W129 HydrophobicContact CG-CH2 3.96Å; E94-W129 HydrophobicContact CG-CZ2 3.59Å; E94-W129 WeakPolarHBondContact OE1-CH2 3.08Å; E94-W129 WeakPolarHBondContact OE1-CZ2 3.44Å; E94-W129 WeakPolarHBondContact OE2-CH2 3.46Å
95N91.1Very high94.5Very high36 Ų3619 Ų1919%0.19310%0.095CC..  trans-81.697.2179.2-174.8-16.6000111.3Q92 P93 S97 L98 Y99Q92-N95 HydrophobicContact CB-CB 4.22Å; Q92-N95 HydrophobicContact CG-CB 3.77Å; Q92-N95 WeakPolarHBondContact O-CB 3.48Å; Q92-N95 PolarHBondContact O-N 2.95Å; Q92-N95 VanDerWaalsContact O-N 3.12Å; Q92-N95 PolarHBondContact OE1-ND2 3.38Å; P93-N95 VanDerWaalsContact C-N 3.33Å; N95-S97 VanDerWaalsContact C-N 3.26Å; N95-S97 PolarHBondContact O-N 3.2Å; N95-S97 WeakPolarHBondContact OD1-CB 3.42Å; N95-S97 PolarHBondContact OD1-N 3.15Å; N95-S97 VanDerWaalsContact OD1-N 3.15Å; N95-L98 HydrophobicContact CB-CD1 3.75Å; N95-L98 HydrophobicContact CB-CG 3.93Å; N95-L98 WeakPolarHBondContact O-CB 3.45Å; N95-L98 PolarHBondContact O-N 3.43Å; N95-Y99 WeakPolarHBondContact O-CD2 3.34Å
96I91.8Very high94.5Very high16 Ų1619 Ų198%0.08210%0.095CC..Hα-helixtrans-53.3-37.9-179.4-64.6155.6000112.7E94 L98 Y99 F100 G122 L125 F126 L140E94-I96 PolarHBondContact O-N 3.44Å; E94-I96 VanDerWaalsContact O-N 3.13Å; I96-L98 PolarHBondContact O-N 2.92Å; I96-Y99 PolarHBondContact O-N 3.34Å; I96-F100 HydrophobicContact CG2-CD2 4.18Å; I96-F100 HydrophobicContact CG2-CE2 3.42Å; I96-F100 VanDerWaalsContact CG2-CE2 3.42Å; I96-F100 HydrophobicContact CG2-CZ 3.62Å; I96-G122 WeakPolarHBondContact CG2-O 3.33Å; I96-L125 HydrophobicContact CG1-CB 3.88Å; I96-F126 HydrophobicContact CD1-CB 4.02Å; I96-F126 HydrophobicContact CD1-CD2 4.18Å; I96-F126 HydrophobicContact CG2-CB 4.34Å; I96-L140 HydrophobicContact CB-CD2 3.86Å; I96-L140 HydrophobicContact CB-CG 4.5Å; I96-L140 HydrophobicContact CD1-CD2 4.19Å; I96-L140 HydrophobicContact CG2-CD1 4.34Å; I96-L140 HydrophobicContact CG2-CD2 3.85Å; I96-L140 HydrophobicContact CG2-CG 3.98Å
97S91.4Very high94.4Very high27 Ų2720 Ų2019%0.18910%0.097CC..Hα-helixtrans-59.7-35.2-177.6-170.60000112.3N95 Y99 F100 D101N95-S97 VanDerWaalsContact C-N 3.26Å; N95-S97 PolarHBondContact O-N 3.2Å; N95-S97 WeakPolarHBondContact OD1-CB 3.42Å; N95-S97 PolarHBondContact OD1-N 3.15Å; N95-S97 VanDerWaalsContact OD1-N 3.15Å; S97-Y99 VanDerWaalsContact C-N 3.27Å; S97-Y99 PolarHBondContact O-N 3.49Å; S97-F100 PolarHBondContact O-N 2.91Å; S97-D101 PolarHBondContact O-N 3.45Å
98L94.6Very high94.3Very high0 Ų022.8 Ų22.80%011%0.107CC..Hα-helixtrans-64.3-33-177.9-57.8177.4000112.4Q66 I85 A88 I89 Q92 N95 I96 K102Q66-L98 HydrophobicContact CB-CD2 3.75Å; Q66-L98 HydrophobicContact CG-CD2 3.56Å; I85-L98 HydrophobicContact CD1-CB 4.35Å; I85-L98 HydrophobicContact CD1-CD2 3.82Å; A88-L98 HydrophobicContact CB-CD1 4.09Å; A88-L98 HydrophobicContact CB-CD2 4.01Å; I89-L98 HydrophobicContact CD1-CB 4.3Å; I89-L98 HydrophobicContact CG1-CB 3.53Å; I89-L98 HydrophobicContact CG1-CD1 4.12Å; I89-L98 HydrophobicContact CG1-CG 4.46Å; Q92-L98 HydrophobicContact CB-CD1 4.45Å; N95-L98 HydrophobicContact CB-CD1 3.75Å; N95-L98 HydrophobicContact CB-CG 3.93Å; N95-L98 WeakPolarHBondContact O-CB 3.45Å; N95-L98 PolarHBondContact O-N 3.43Å; I96-L98 PolarHBondContact O-N 2.92Å; L98-K102 VanDerWaalsContact O-CB 3.31Å; L98-K102 WeakPolarHBondContact O-CB 3.37Å; L98-K102 PolarHBondContact O-N 3.17Å
99Y96Very high94.2Very high23 Ų2324.4 Ų24.49%0.0912%0.115CC..Hα-helixtrans-69.6-35.5177.3-67.7-85.5000112I89 P93 N95 I96 S97 G103 C118 H121 L125I89-Y99 HydrophobicContact CD1-CD1 4.44Å; I89-Y99 HydrophobicContact CG2-CE1 4.09Å; P93-Y99 VanDerWaalsContact O-CE2 3.28Å; P93-Y99 WeakPolarHBondContact O-CE2 3.35Å; P93-Y99 PolarHBondContact O-OH 3.3Å; N95-Y99 WeakPolarHBondContact O-CD2 3.34Å; I96-Y99 PolarHBondContact O-N 3.34Å; S97-Y99 VanDerWaalsContact C-N 3.27Å; S97-Y99 PolarHBondContact O-N 3.49Å; Y99-G103 PolarHBondContact O-N 3.11Å; Y99-C118 PolarHBondContact O-SG 3.2Å; Y99-H121 HydrophobicContact CD1-CB 4.48Å; Y99-H121 AromaticContact CD1-CD2 3.55Å; Y99-H121 AromaticContact CE1-CD2 3.14Å; Y99-H121 WeakPolarHBondContact CE1-CD2 3.44Å; Y99-H121 AromaticContact CE1-NE2 3.7Å; Y99-H121 AromaticContact CZ-CD2 3.5Å; Y99-H121 VanDerWaalsContact CZ-CD2 3.5Å; Y99-H121 AromaticContact CZ-NE2 3.7Å; Y99-L125 HydrophobicContact CD2-CD1 4.01Å; Y99-L125 HydrophobicContact CE2-CD1 3.47Å; Y99-L125 VanDerWaalsContact CE2-CD1 3.47Å
100F94.7Very high94Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-72.2-39.9175.6-58-33.2000111.9I96 S97 G103 A104 I119 I123 L140 L143 G144 Q147I96-F100 HydrophobicContact CG2-CD2 4.18Å; I96-F100 HydrophobicContact CG2-CE2 3.42Å; I96-F100 VanDerWaalsContact CG2-CE2 3.42Å; I96-F100 HydrophobicContact CG2-CZ 3.62Å; S97-F100 PolarHBondContact O-N 2.91Å; F100-G103 PolarHBondContact O-N 3Å; F100-A104 PolarHBondContact O-N 3.18Å; F100-I119 HydrophobicContact CD1-CG2 4.14Å; F100-I119 HydrophobicContact CE1-CG2 4.2Å; F100-I123 HydrophobicContact CE1-CG1 3.95Å; F100-I123 HydrophobicContact CZ-CG1 4.11Å; F100-L140 HydrophobicContact CD2-CD1 4.02Å; F100-L140 HydrophobicContact CE2-CD1 3.99Å; F100-L140 HydrophobicContact CE2-CG 4.13Å; F100-L140 VanDerWaalsContact CE2-O 3.27Å; F100-L140 WeakPolarHBondContact CE2-O 3.41Å; F100-L143 HydrophobicContact CB-CD2 3.31Å; F100-L143 HydrophobicContact CD2-CD2 3.5Å; F100-L143 VanDerWaalsContact CD2-CD2 3.5Å; F100-L143 HydrophobicContact CG-CD2 3.71Å; F100-G144 VanDerWaalsContact CE1-CA 3.44Å; F100-Q147 HydrophobicContact CB-CG 4.38Å
101D94.1Very high94.1Very high30 Ų3029.5 Ų29.516%0.1614%0.14CC..Hα-helixtrans-62-47.1173.6-67.8-25.8000110.9Q66 I85 S97 G103 A104 I105Q66-D101 PolarHBondContact NE2-OD2 2.77Å; I85-D101 HydrophobicContact CD1-CB 3.9Å; I85-D101 HydrophobicContact CG1-CB 4.26Å; S97-D101 PolarHBondContact O-N 3.45Å; D101-G103 VanDerWaalsContact C-N 3.33Å; D101-G103 PolarHBondContact O-N 3.05Å; D101-A104 WeakPolarHBondContact O-CB 3.38Å; D101-A104 PolarHBondContact O-N 3.5Å; D101-A104 VanDerWaalsContact O-N 3.16Å; D101-I105 WeakPolarHBondContact O-CD1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.28Å; D101-I105 PolarHBondContact O-N 3.32Å
102K96.9Very high94.1Very high53 Ų5329.6 Ų29.623%0.2314%0.14CC..Hα-helixtrans-59.8-42.8174.4178.7170.5173.7177.50111.8L82 I85 I89 L98 A104 I105 L106L82-K102 HydrophobicContact CD1-CD 4.45Å; L82-K102 HydrophobicContact CD1-CG 3.98Å; I85-K102 HydrophobicContact CG1-CB 4.06Å; I85-K102 HydrophobicContact CG2-CB 3.9Å; I85-K102 HydrophobicContact CG2-CD 4.44Å; I85-K102 HydrophobicContact CG2-CG 4.1Å; I89-K102 HydrophobicContact CD1-CB 4.03Å; I89-K102 HydrophobicContact CD1-CD 3.48Å; I89-K102 VanDerWaalsContact CD1-CD 3.48Å; I89-K102 HydrophobicContact CD1-CG 4.38Å; L98-K102 VanDerWaalsContact O-CB 3.31Å; L98-K102 WeakPolarHBondContact O-CB 3.37Å; L98-K102 PolarHBondContact O-N 3.17Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-A104 PolarHBondContact O-N 2.94Å; K102-I105 PolarHBondContact O-N 2.91Å; K102-L106 HydrophobicContact CG-CD1 3.89Å; K102-L106 HydrophobicContact CG-CG 4.35Å; K102-L106 WeakPolarHBondContact O-CB 3.42Å; K102-L106 WeakPolarHBondContact O-CG 3.18Å; K102-L106 PolarHBondContact O-N 2.61Å
103G96.3Very high94.2Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-57.1-44.517400000112.5Y99 F100 D101 L106 R107 S115Y99-G103 PolarHBondContact O-N 3.11Å; F100-G103 PolarHBondContact O-N 3Å; D101-G103 VanDerWaalsContact C-N 3.33Å; D101-G103 PolarHBondContact O-N 3.05Å; G103-L106 PolarHBondContact O-N 3.17Å; G103-R107 WeakPolarHBondContact O-CB 3.36Å; G103-R107 PolarHBondContact O-N 3.26Å; G103-S115 WeakPolarHBondContact O-CB 3.35Å; G103-S115 PolarHBondContact O-OG 2.89Å
104A93.7Very high94.3Very high5 Ų535.3 Ų35.34%0.04117%0.172CC..Hα-helixtrans-63.4-42.2177.200000112.5M73 F100 D101 K102 R107 K108M73-A104 HydrophobicContact CE-CB 4.15Å; F100-A104 PolarHBondContact O-N 3.18Å; D101-A104 WeakPolarHBondContact O-CB 3.38Å; D101-A104 PolarHBondContact O-N 3.5Å; D101-A104 VanDerWaalsContact O-N 3.16Å; K102-A104 VanDerWaalsContact C-N 3.33Å; K102-A104 PolarHBondContact O-N 2.94Å; A104-R107 PolarHBondContact O-N 2.95Å; A104-K108 WeakPolarHBondContact O-CG 3.42Å; A104-K108 PolarHBondContact O-N 2.92Å
105I95.3Very high94.6Very high3 Ų334 Ų342%0.01517%0.166CC..Hα-helixtrans-64.5-46.6176.6-64.4157.4000110.8M73 F78 S81 L82 I85 D101 K102 R107 K108 L109M73-I105 HydrophobicContact CG-CG1 4.24Å; M73-I105 HydrophobicContact SD-CG1 3.83Å; F78-I105 WeakPolarHBondContact O-CG2 3.35Å; S81-I105 WeakPolarHBondContact OG-CD1 3.45Å; S81-I105 WeakPolarHBondContact OG-CG1 3.38Å; L82-I105 HydrophobicContact CB-CG2 3.91Å; L82-I105 HydrophobicContact CD1-CG2 4.38Å; I85-I105 HydrophobicContact CB-CD1 4.08Å; I85-I105 HydrophobicContact CG1-CD1 4.47Å; I85-I105 HydrophobicContact CG2-CD1 3.84Å; D101-I105 WeakPolarHBondContact O-CD1 3.24Å; D101-I105 WeakPolarHBondContact O-CG1 3.28Å; D101-I105 PolarHBondContact O-N 3.32Å; K102-I105 PolarHBondContact O-N 2.91Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 3.27Å; I105-K108 WeakPolarHBondContact O-CB 3.49Å; I105-K108 PolarHBondContact O-N 3.41Å; I105-K108 VanDerWaalsContact O-N 3.1Å; I105-L109 HydrophobicContact CG2-CD1 4.33Å; I105-L109 PolarHBondContact O-N 2.89Å; I105-L109 VanDerWaalsContact O-N 3.13Å
106L97.3Very high94.9Very high2 Ų234.1 Ų34.11%0.0117%0.166CC..Hα-helixtrans-60.9-38.2177.9-74.8168.4000112.3L82 K102 G103 K108 L109 D110 R111 E114 C118L82-L106 HydrophobicContact CD1-CD2 3.87Å; L82-L106 HydrophobicContact CD1-CG 3.99Å; L82-L106 HydrophobicContact CD2-CD2 3.89Å; K102-L106 HydrophobicContact CG-CD1 3.89Å; K102-L106 HydrophobicContact CG-CG 4.35Å; K102-L106 WeakPolarHBondContact O-CB 3.42Å; K102-L106 WeakPolarHBondContact O-CG 3.18Å; K102-L106 PolarHBondContact O-N 2.61Å; G103-L106 PolarHBondContact O-N 3.17Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 2.88Å; L106-L109 CarbonylContact O-C 3.53Å; L106-L109 WeakPolarHBondContact O-CB 3.46Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-L109 VanDerWaalsContact O-N 3.14Å; L106-D110 PolarHBondContact O-N 3.47Å; L106-R111 HydrophobicContact CB-CB 4.45Å; L106-R111 HydrophobicContact CD2-CB 4.04Å; L106-R111 PolarHBondContact O-N 3.35Å; L106-E114 HydrophobicContact CD1-CB 4.06Å; L106-E114 HydrophobicContact CD2-CB 4.43Å; L106-C118 HydrophobicContact CD1-CB 4.28Å
107R94.4Very high95.1Very high44 Ų4438.6 Ų38.617%0.16619%0.19CC..Hα-helixtrans-62.3-40.3174.2177.7173.857.682.2-2112G103 A104 I105 L109 D110 L112 T151 S154G103-R107 WeakPolarHBondContact O-CB 3.36Å; G103-R107 PolarHBondContact O-N 3.26Å; A104-R107 PolarHBondContact O-N 2.95Å; I105-R107 VanDerWaalsContact C-N 3.3Å; I105-R107 PolarHBondContact O-N 3.27Å; R107-L109 PolarHBondContact O-N 3.17Å; R107-D110 PolarHBondContact O-N 3.4Å; R107-D110 VanDerWaalsContact O-N 3.12Å; R107-L112 HydrophobicContact CB-CD2 4.41Å; R107-L112 HydrophobicContact CG-CD2 4.01Å; R107-T151 WeakPolarHBondContact CD-OG1 3.39Å; R107-S154 WeakPolarHBondContact CD-OG 3.18Å
108K92.3Very high95.4Very high103 Ų10337.9 Ų37.945%0.44819%0.185SC..Hα-helixtrans-65.2-27.7175.1-69.7-70.4-174.6170.90112.7M73 F78 A104 I105 L106 D110M73-K108 HydrophobicContact CE-CG 4.23Å; F78-K108 HydrophobicContact CD1-CB 3.83Å; F78-K108 HydrophobicContact CD1-CG 4.42Å; F78-K108 HydrophobicContact CE1-CB 3.7Å; F78-K108 HydrophobicContact CE1-CD 4.41Å; F78-K108 HydrophobicContact CE1-CG 3.91Å; F78-K108 HydrophobicContact CE2-CB 4.38Å; F78-K108 HydrophobicContact CG-CB 4.25Å; F78-K108 HydrophobicContact CZ-CB 3.99Å; F78-K108 HydrophobicContact CZ-CD 4.35Å; F78-K108 HydrophobicContact CZ-CG 4.29Å; A104-K108 WeakPolarHBondContact O-CG 3.42Å; A104-K108 PolarHBondContact O-N 2.92Å; I105-K108 WeakPolarHBondContact O-CB 3.49Å; I105-K108 PolarHBondContact O-N 3.41Å; I105-K108 VanDerWaalsContact O-N 3.1Å; L106-K108 VanDerWaalsContact C-N 3.34Å; L106-K108 PolarHBondContact O-N 2.88Å; K108-D110 VanDerWaalsContact C-N 3.3Å
109L94Very high95.4Very high34 Ų3437.9 Ų37.918%0.17819%0.185CC..THydrogen-bonded Turntrans-835.8173.1-70.7168.9000114.2F78 F79 L82 I105 L106 R107 R111F78-L109 HydrophobicContact CB-CD1 4.22Å; F78-L109 HydrophobicContact CB-CD2 3.52Å; F78-L109 HydrophobicContact CB-CG 3.73Å; F78-L109 HydrophobicContact CG-CD2 4.42Å; F79-L109 HydrophobicContact CD1-CD2 4.4Å; F79-L109 HydrophobicContact CD2-CD2 4.22Å; F79-L109 HydrophobicContact CE1-CD2 4.14Å; F79-L109 HydrophobicContact CE2-CD2 3.95Å; F79-L109 HydrophobicContact CG-CD2 4.44Å; F79-L109 HydrophobicContact CZ-CD2 3.91Å; L82-L109 HydrophobicContact CB-CD1 4.4Å; L82-L109 HydrophobicContact CD2-CD1 3.86Å; I105-L109 HydrophobicContact CG2-CD1 4.33Å; I105-L109 PolarHBondContact O-N 2.89Å; I105-L109 VanDerWaalsContact O-N 3.13Å; L106-L109 CarbonylContact O-C 3.53Å; L106-L109 WeakPolarHBondContact O-CB 3.46Å; L106-L109 PolarHBondContact O-N 3.43Å; L106-L109 VanDerWaalsContact O-N 3.14Å; R107-L109 PolarHBondContact O-N 3.17Å; L109-R111 HydrophobicContact CB-CG 4.26Å; L109-R111 PolarHBondContact O-N 3.25Å; L109-R111 VanDerWaalsContact O-N 3.1Å
110D92.7Very high95.4Very high87 Ų8740.6 Ų40.647%0.46520%0.199SC..THydrogen-bonded Turntrans56.618.8-172.7-165.445000114.7L106 R107 K108 L112 K158L106-D110 PolarHBondContact O-N 3.47Å; R107-D110 PolarHBondContact O-N 3.4Å; R107-D110 VanDerWaalsContact O-N 3.12Å; K108-D110 VanDerWaalsContact C-N 3.3Å; D110-L112 PolarHBondContact O-N 3.44Å; D110-L112 VanDerWaalsContact O-N 3.11Å; D110-K158 PolarHBondContact O-NZ 3.44Å; D110-K158 IonicContact OD1-NZ 3.16Å; D110-K158 PolarHBondContact OD1-NZ 3.35Å; D110-K158 IonicContact OD2-NZ 2.75Å; D110-K158 PolarHBondContact OD2-NZ 3.31Å
111R96Very high95.4Very high88 Ų8844.6 Ų44.633%0.33222%0.218SC..  trans-87.762.8173.5-68.3171.566.9174.72.6109.9L106 L109 E114 S115L106-R111 HydrophobicContact CB-CB 4.45Å; L106-R111 HydrophobicContact CD2-CB 4.04Å; L106-R111 PolarHBondContact O-N 3.35Å; L109-R111 HydrophobicContact CB-CG 4.26Å; L109-R111 PolarHBondContact O-N 3.25Å; L109-R111 VanDerWaalsContact O-N 3.1Å; R111-E114 IonicContact CZ-OE1 2.68Å; R111-E114 VanDerWaalsContact CZ-OE1 3.24Å; R111-E114 IonicContact CZ-OE2 3.24Å; R111-E114 IonicContact NE-OE1 3.11Å; R111-E114 PolarHBondContact NE-OE1 3.49Å; R111-E114 IonicContact NE-OE2 2.73Å; R111-E114 IonicContact NH2-OE1 2.75Å; R111-E114 PolarHBondContact NH2-OE1 3.35Å; R111-E114 IonicContact NH2-OE2 2.94Å; R111-E114 PolarHBondContact NH2-OE2 2.9Å; R111-S115 WeakPolarHBondContact O-CB 3.29Å; R111-S115 PolarHBondContact O-N 3.28Å
112L94.3Very high95.3Very high4 Ų443.1 Ų43.12%0.02121%0.21CC..Hα-helixtrans-68.8-38.1-165.8-59-178.3000114.2R107 D110 S115 L116 T151 Y155 K158R107-L112 HydrophobicContact CB-CD2 4.41Å; R107-L112 HydrophobicContact CG-CD2 4.01Å; D110-L112 PolarHBondContact O-N 3.44Å; D110-L112 VanDerWaalsContact O-N 3.11Å; L112-S115 WeakPolarHBondContact O-CB 3.42Å; L112-S115 PolarHBondContact O-N 2.87Å; L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.34Å; L112-T151 HydrophobicContact CD2-CG2 4.45Å; L112-Y155 HydrophobicContact CB-CD2 3.8Å; L112-Y155 HydrophobicContact CD1-CD2 3.96Å; L112-Y155 HydrophobicContact CD1-CG 4.44Å; L112-K158 HydrophobicContact CD1-CB 4.08Å; L112-K158 HydrophobicContact CD1-CD 3.68Å
113T95.8Very high95Very high79 Ų7941.2 Ų41.249%0.48520%0.203SC..Hα-helixtrans-61.5-49.5177.247.90000111S115 L116 D117 Y155T113-S115 VanDerWaalsContact C-N 3.29Å; T113-S115 PolarHBondContact O-N 3.42Å; T113-L116 WeakPolarHBondContact O-CB 3.22Å; T113-L116 PolarHBondContact O-N 3.43Å; T113-L116 VanDerWaalsContact O-N 3.16Å; T113-D117 PolarHBondContact O-N 3.01Å; T113-Y155 HydrophobicContact CG2-CE2 4.25Å
114E97.1Very high94.8Very high81 Ų8145.2 Ų45.238%0.37922%0.224SC..Hα-helixtrans-64.8-33.7177-61.8-179-106.400112.5L106 R111 C118L106-E114 HydrophobicContact CD1-CB 4.06Å; L106-E114 HydrophobicContact CD2-CB 4.43Å; R111-E114 IonicContact CZ-OE1 2.68Å; R111-E114 VanDerWaalsContact CZ-OE1 3.24Å; R111-E114 IonicContact CZ-OE2 3.24Å; R111-E114 IonicContact NE-OE1 3.11Å; R111-E114 PolarHBondContact NE-OE1 3.49Å; R111-E114 IonicContact NE-OE2 2.73Å; R111-E114 IonicContact NH2-OE1 2.75Å; R111-E114 PolarHBondContact NH2-OE1 3.35Å; R111-E114 IonicContact NH2-OE2 2.94Å; R111-E114 PolarHBondContact NH2-OE2 2.9Å; E114-C118 VanDerWaalsContact O-CB 3.25Å; E114-C118 WeakPolarHBondContact O-CB 3.32Å; E114-C118 PolarHBondContact O-N 3.09Å
115S97.4Very high94.6Very high0 Ų045.9 Ų45.90%023%0.226CC..Hα-helixtrans-61.5-47.5172.7178.40000111G103 R111 L112 T113 C118 I119 T151G103-S115 WeakPolarHBondContact O-CB 3.35Å; G103-S115 PolarHBondContact O-OG 2.89Å; R111-S115 WeakPolarHBondContact O-CB 3.29Å; R111-S115 PolarHBondContact O-N 3.28Å; L112-S115 WeakPolarHBondContact O-CB 3.42Å; L112-S115 PolarHBondContact O-N 2.87Å; T113-S115 VanDerWaalsContact C-N 3.29Å; T113-S115 PolarHBondContact O-N 3.42Å; S115-C118 PolarHBondContact O-N 3.35Å; S115-I119 WeakPolarHBondContact O-CD1 3.36Å; S115-I119 VanDerWaalsContact O-CG1 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.45Å; S115-I119 PolarHBondContact O-N 2.95Å; S115-T151 WeakPolarHBondContact OG-CG2 3.39Å; S115-T151 PolarHBondContact OG-OG1 3.44Å
116L97Very high94.3Very high37 Ų3746.3 Ų46.319%0.19423%0.228CC..Hα-helixtrans-60.5-48.8177.2-70.2172.2000111.2L112 T113 C118 I119 M120 L148 T151 I152L112-L116 WeakPolarHBondContact O-CG 3.26Å; L112-L116 PolarHBondContact O-N 3.34Å; T113-L116 WeakPolarHBondContact O-CB 3.22Å; T113-L116 PolarHBondContact O-N 3.43Å; T113-L116 VanDerWaalsContact O-N 3.16Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 2.95Å; L116-I119 PolarHBondContact O-N 3.45Å; L116-M120 WeakPolarHBondContact O-CB 3.3Å; L116-M120 VanDerWaalsContact O-CG 3.32Å; L116-M120 WeakPolarHBondContact O-CG 3.48Å; L116-M120 PolarHBondContact O-N 3.42Å; L116-L148 HydrophobicContact CD2-CD1 3.74Å; L116-T151 HydrophobicContact CD2-CG2 3.51Å; L116-T151 HydrophobicContact CG-CG2 3.63Å; L116-I152 HydrophobicContact CD2-CG1 3.8Å
117D96.6Very high93.7Very high111 Ų11150.2 Ų50.259%0.59425%0.249SC*.Hα-helixtrans-58.8-42.7179.3-66.4-26.3000111.6T113 M120 H121T113-D117 PolarHBondContact O-N 3.01Å; D117-M120 PolarHBondContact O-N 2.83Å; D117-H121 WeakPolarHBondContact O-CB 3.49Å; D117-H121 PolarHBondContact O-N 2.89Å
118C95.9Very high93.3Very high12 Ų1253.9 Ų53.98%0.08127%0.271CS..Hα-helixtrans-64.9-44.3178.2-167.90000112.2Y99 L106 E114 S115 L116 H121 G122Y99-C118 PolarHBondContact O-SG 3.2Å; L106-C118 HydrophobicContact CD1-CB 4.28Å; E114-C118 VanDerWaalsContact O-CB 3.25Å; E114-C118 WeakPolarHBondContact O-CB 3.32Å; E114-C118 PolarHBondContact O-N 3.09Å; S115-C118 PolarHBondContact O-N 3.35Å; L116-C118 VanDerWaalsContact C-N 3.29Å; L116-C118 PolarHBondContact O-N 2.95Å; C118-H121 PolarHBondContact O-N 3.22Å; C118-G122 PolarHBondContact O-N 3.42Å; C118-G122 VanDerWaalsContact O-N 3.08Å
119I95.1Very high92.6Very high0 Ų053.8 Ų53.80%027%0.268CS..Hα-helixtrans-66.8-43.8178.5-65.5160.9000110.4F100 S115 L116 H121 G122 I123 Q147 L148 T151F100-I119 HydrophobicContact CD1-CG2 4.14Å; F100-I119 HydrophobicContact CE1-CG2 4.2Å; S115-I119 WeakPolarHBondContact O-CD1 3.36Å; S115-I119 VanDerWaalsContact O-CG1 3.24Å; S115-I119 WeakPolarHBondContact O-CG1 3.45Å; S115-I119 PolarHBondContact O-N 2.95Å; L116-I119 PolarHBondContact O-N 3.45Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 2.82Å; I119-G122 PolarHBondContact O-N 3.24Å; I119-G122 VanDerWaalsContact O-N 3.14Å; I119-I123 HydrophobicContact CG2-CD1 4.02Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.14Å; I119-Q147 HydrophobicContact CD1-CB 3.84Å; I119-Q147 HydrophobicContact CG1-CB 4.23Å; I119-L148 HydrophobicContact CG2-CB 3.85Å; I119-L148 HydrophobicContact CG2-CD1 4.34Å; I119-T151 VanDerWaalsContact CD1-OG1 3.31Å; I119-T151 WeakPolarHBondContact CD1-OG1 3.33Å
120M95.4Very high91.3Very high79 Ų7954.5 Ų54.539%0.38927%0.272SS..Hα-helixtrans-62.2-37.9176.7-72.6-55.2-6000111.9L116 D117 I123 N124 L148L116-M120 WeakPolarHBondContact O-CB 3.3Å; L116-M120 VanDerWaalsContact O-CG 3.32Å; L116-M120 WeakPolarHBondContact O-CG 3.48Å; L116-M120 PolarHBondContact O-N 3.42Å; D117-M120 PolarHBondContact O-N 2.83Å; M120-I123 PolarHBondContact O-N 3.47Å; M120-I123 HydrophobicContact SD-CD1 4.28Å; M120-N124 WeakPolarHBondContact O-CB 3.39Å; M120-N124 PolarHBondContact O-N 3.46Å; M120-N124 PolarHBondContact O-ND2 2.75Å; M120-L148 HydrophobicContact SD-CD1 4.13Å; M120-L148 HydrophobicContact SD-CD2 4.05Å
121H94.9Very high89.7Confident84 Ų8457.7 Ų57.739%0.38929%0.289SS..Hα-helixtrans-61.3-44.7172.6-171.583000112Y99 D117 C118 I119 I123 N124 L125Y99-H121 HydrophobicContact CD1-CB 4.48Å; Y99-H121 AromaticContact CD1-CD2 3.55Å; Y99-H121 AromaticContact CE1-CD2 3.14Å; Y99-H121 WeakPolarHBondContact CE1-CD2 3.44Å; Y99-H121 AromaticContact CE1-NE2 3.7Å; Y99-H121 AromaticContact CZ-CD2 3.5Å; Y99-H121 VanDerWaalsContact CZ-CD2 3.5Å; Y99-H121 AromaticContact CZ-NE2 3.7Å; D117-H121 WeakPolarHBondContact O-CB 3.49Å; D117-H121 PolarHBondContact O-N 2.89Å; C118-H121 PolarHBondContact O-N 3.22Å; I119-H121 VanDerWaalsContact C-N 3.29Å; I119-H121 PolarHBondContact O-N 2.82Å; H121-I123 PolarHBondContact O-N 3.15Å; H121-N124 PolarHBondContact O-N 2.7Å; H121-L125 WeakPolarHBondContact O-CG 3.34Å; H121-L125 PolarHBondContact O-N 3.16Å
122G92.9Very high87.8Confident0 Ų057.7 Ų57.70%030%0.299CS..Hα-helixtrans-60.4-40.9174.700000113.2I96 C118 I119 L125 F126I96-G122 WeakPolarHBondContact CG2-O 3.33Å; C118-G122 PolarHBondContact O-N 3.42Å; C118-G122 VanDerWaalsContact O-N 3.08Å; I119-G122 PolarHBondContact O-N 3.24Å; I119-G122 VanDerWaalsContact O-N 3.14Å; G122-L125 PolarHBondContact O-N 3.32Å; G122-F126 WeakPolarHBondContact O-CB 3.44Å; G122-F126 PolarHBondContact O-N 2.94Å
123I91.5Very high85.7Confident13 Ų1365.9 Ų65.97%0.06734%0.343CS..Hα-helixtrans-66.7-39.8175.7-67169.5000111.3F100 I119 M120 H121 F126 N127 Y141 L148F100-I123 HydrophobicContact CE1-CG1 3.95Å; F100-I123 HydrophobicContact CZ-CG1 4.11Å; I119-I123 HydrophobicContact CG2-CD1 4.02Å; I119-I123 WeakPolarHBondContact O-CG1 3.41Å; I119-I123 PolarHBondContact O-N 3.14Å; M120-I123 PolarHBondContact O-N 3.47Å; M120-I123 HydrophobicContact SD-CD1 4.28Å; H121-I123 PolarHBondContact O-N 3.15Å; I123-F126 WeakPolarHBondContact O-CB 3.37Å; I123-F126 PolarHBondContact O-N 3.41Å; I123-N127 VanDerWaalsContact O-CG 3.3Å; I123-N127 PolarHBondContact O-N 2.99Å; I123-N127 PolarHBondContact O-ND2 3.3Å; I123-Y141 HydrophobicContact CG2-CE2 4.22Å; I123-L148 HydrophobicContact CD1-CD2 4.03Å
124N91.5Very high83.8Confident83 Ų8369 Ų6944%0.44435%0.349SS..Hα-helixtrans-65.4-43.5177-71.5-17.7000111.5M120 H121 F126 N127 I128M120-N124 WeakPolarHBondContact O-CB 3.39Å; M120-N124 PolarHBondContact O-N 3.46Å; M120-N124 PolarHBondContact O-ND2 2.75Å; H121-N124 PolarHBondContact O-N 2.7Å; N124-F126 VanDerWaalsContact C-N 3.3Å; N124-F126 PolarHBondContact O-N 2.9Å; N124-N127 PolarHBondContact O-N 3.4Å; N124-I128 WeakPolarHBondContact O-CD1 3.35Å; N124-I128 VanDerWaalsContact O-CG1 3.27Å; N124-I128 WeakPolarHBondContact O-CG1 3.05Å; N124-I128 PolarHBondContact O-N 2.77Å
125L89.4Confident81.7Confident19 Ų1974.6 Ų74.610%0.09937%0.372CS..Hα-helixtrans-59.3-43.3170.8-72.2176.5000110.8I96 Y99 H121 G122 N127 I128 W129I96-L125 HydrophobicContact CG1-CB 3.88Å; Y99-L125 HydrophobicContact CD2-CD1 4.01Å; Y99-L125 HydrophobicContact CE2-CD1 3.47Å; Y99-L125 VanDerWaalsContact CE2-CD1 3.47Å; H121-L125 WeakPolarHBondContact O-CG 3.34Å; H121-L125 PolarHBondContact O-N 3.16Å; G122-L125 PolarHBondContact O-N 3.32Å; L125-N127 VanDerWaalsContact C-N 3.32Å; L125-N127 PolarHBondContact O-N 3.07Å; L125-I128 PolarHBondContact O-N 3.28Å; L125-W129 PolarHBondContact O-N 3.44Å
126F87.7Confident79.7Confident13 Ų1380.3 Ų80.36%0.05740%0.403CS..Hα-helixtrans-55.8-47.5174.3-176.5-82.8000112.3I96 G122 I123 N124 I128 W129 N130 S137 L140 Y141I96-F126 HydrophobicContact CD1-CB 4.02Å; I96-F126 HydrophobicContact CD1-CD2 4.18Å; I96-F126 HydrophobicContact CG2-CB 4.34Å; G122-F126 WeakPolarHBondContact O-CB 3.44Å; G122-F126 PolarHBondContact O-N 2.94Å; I123-F126 WeakPolarHBondContact O-CB 3.37Å; I123-F126 PolarHBondContact O-N 3.41Å; N124-F126 VanDerWaalsContact C-N 3.3Å; N124-F126 PolarHBondContact O-N 2.9Å; F126-I128 VanDerWaalsContact C-N 3.33Å; F126-I128 PolarHBondContact O-N 2.85Å; F126-W129 PolarHBondContact O-N 2.76Å; F126-N130 HydrophobicContact CD1-CB 4.42Å; F126-N130 WeakPolarHBondContact CD1-ND2 3.18Å; F126-N130 WeakPolarHBondContact CD2-ND2 3.36Å; F126-N130 HydrophobicContact CE1-CB 4.01Å; F126-N130 WeakPolarHBondContact CE1-ND2 3.38Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.49Å; F126-N130 WeakPolarHBondContact CG-ND2 3.43Å; F126-N130 HydrophobicContact CZ-CB 4.2Å; F126-N130 VanDerWaalsContact CZ-CG 3.49Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.46Å; F126-N130 WeakPolarHBondContact O-CB 3.32Å; F126-N130 PolarHBondContact O-N 2.94Å; F126-N130 PolarHBondContact O-ND2 3.29Å; F126-S137 WeakPolarHBondContact CE2-O 3.15Å; F126-S137 WeakPolarHBondContact CZ-O 3.38Å; F126-L140 HydrophobicContact CD2-CD2 4.39Å; F126-L140 HydrophobicContact CD2-CG 4.45Å; F126-L140 HydrophobicContact CE2-CB 4.33Å; F126-Y141 AromaticContact CD1-CD2 3.35Å; F126-Y141 HydrophobicContact CD1-CD2 3.35Å; F126-Y141 AromaticContact CD1-CE2 3.99Å; F126-Y141 HydrophobicContact CD1-CE2 3.99Å; F126-Y141 HydrophobicContact CD1-CG 4.18Å; F126-Y141 AromaticContact CE1-CD2 3.39Å; F126-Y141 HydrophobicContact CE1-CD2 3.39Å; F126-Y141 HydrophobicContact CE1-CE2 4.18Å; F126-Y141 AromaticContact CE1-CG 3.78Å; F126-Y141 HydrophobicContact CE1-CG 3.78Å; F126-Y141 AromaticContact CG-CD2 3.95Å; F126-Y141 HydrophobicContact CG-CD2 3.95Å; F126-Y141 VanDerWaalsContact CZ-CB 3.48Å; F126-Y141 HydrophobicContact CZ-CD2 4.03Å; F126-Y141 HydrophobicContact CZ-CG 4.04Å
127N86.6Confident78.4Confident84 Ų8480 Ų8045%0.44940%0.404SS..Hα-helixtrans-66.4-33.8-178.7-66.9-20.6000112.7I123 N124 L125I123-N127 VanDerWaalsContact O-CG 3.3Å; I123-N127 PolarHBondContact O-N 2.99Å; I123-N127 PolarHBondContact O-ND2 3.3Å; N124-N127 PolarHBondContact O-N 3.4Å; L125-N127 VanDerWaalsContact C-N 3.32Å; L125-N127 PolarHBondContact O-N 3.07Å
128I85Confident77.5Confident120 Ų12077.5 Ų77.562%0.61540%0.399SS*.Hα-helixtrans-69.7-32.4178-68.2162.4000111.9N124 L125 F126N124-I128 WeakPolarHBondContact O-CD1 3.35Å; N124-I128 VanDerWaalsContact O-CG1 3.27Å; N124-I128 WeakPolarHBondContact O-CG1 3.05Å; N124-I128 PolarHBondContact O-N 2.77Å; L125-I128 PolarHBondContact O-N 3.28Å; F126-I128 VanDerWaalsContact C-N 3.33Å; F126-I128 PolarHBondContact O-N 2.85Å
129W76.7Confident77Confident102 Ų10283 Ų8339%0.38643%0.428SS..Hα-helixtrans-99.9-20.6-170.7-68.767.9000114.2E94 L125 F126 D131 T132E94-W129 HydrophobicContact CB-CH2 4.46Å; E94-W129 HydrophobicContact CB-CZ2 4.21Å; E94-W129 HydrophobicContact CG-CH2 3.96Å; E94-W129 HydrophobicContact CG-CZ2 3.59Å; E94-W129 WeakPolarHBondContact OE1-CH2 3.08Å; E94-W129 WeakPolarHBondContact OE1-CZ2 3.44Å; E94-W129 WeakPolarHBondContact OE2-CH2 3.46Å; L125-W129 PolarHBondContact O-N 3.44Å; F126-W129 PolarHBondContact O-N 2.76Å; W129-D131 VanDerWaalsContact C-N 3.34Å; W129-D131 PolarHBondContact O-N 3.02Å; W129-T132 PolarHBondContact O-OG1 3.22Å; W129-T132 VanDerWaalsContact O-OG1 3.08Å
130N67.6Low76.5Confident48 Ų4885.1 Ų85.126%0.25744%0.439SS..THydrogen-bonded Turntrans-87.412.9-177.3-74-65.8000116.3F126 T132 S137F126-N130 HydrophobicContact CD1-CB 4.42Å; F126-N130 WeakPolarHBondContact CD1-ND2 3.18Å; F126-N130 WeakPolarHBondContact CD2-ND2 3.36Å; F126-N130 HydrophobicContact CE1-CB 4.01Å; F126-N130 WeakPolarHBondContact CE1-ND2 3.38Å; F126-N130 WeakPolarHBondContact CE2-ND2 3.49Å; F126-N130 WeakPolarHBondContact CG-ND2 3.43Å; F126-N130 HydrophobicContact CZ-CB 4.2Å; F126-N130 VanDerWaalsContact CZ-CG 3.49Å; F126-N130 WeakPolarHBondContact CZ-ND2 3.46Å; F126-N130 WeakPolarHBondContact O-CB 3.32Å; F126-N130 PolarHBondContact O-N 2.94Å; F126-N130 PolarHBondContact O-ND2 3.29Å; N130-T132 PolarHBondContact O-N 3.39Å; N130-S137 WeakPolarHBondContact OD1-CB 3.36Å
131D59.6Low76Confident155 Ų15585.3 Ų85.383%0.82944%0.435SS*.THydrogen-bonded Turntrans-61.10.3157.6-79.9-17.6000112.4W129W129-D131 VanDerWaalsContact C-N 3.34Å; W129-D131 PolarHBondContact O-N 3.02Å
132T56.2Low75.7Confident88 Ų8885.2 Ų85.254%0.5444%0.435SS..SBendtrans-117.2118.7177.659.30000112.3W129 N130 K134W129-T132 PolarHBondContact O-OG1 3.22Å; W129-T132 VanDerWaalsContact O-OG1 3.08Å; N130-T132 PolarHBondContact O-N 3.39Å; T132-K134 PolarHBondContact O-N 3.45Å
133D50.6Low75.5Confident176 Ų17688.2 Ų88.294%0.94145%0.451SS*.  trans-47.584.4-174.5-76.4-42.7000116.1
134K54.7Low75.4Confident143 Ų14387.6 Ų87.662%0.62245%0.447SS*.  trans-128.7118.1173.2-72.9-175.1-179.9174.50112.8T132 N136 S137T132-K134 PolarHBondContact O-N 3.45Å; K134-N136 PolarHBondContact O-N 3.15Å; K134-N136 VanDerWaalsContact O-N 3.15Å; K134-S137 WeakPolarHBondContact O-CB 3.46Å; K134-S137 PolarHBondContact O-N 3.42Å; K134-S137 PolarHBondContact O-OG 3.41Å
135K53.9Low75.4Confident199 Ų19988.7 Ų88.787%0.86545%0.445SS*.THydrogen-bonded Turntrans-54-29.3171.8-72.3179176.2176.90114.3S137 A138K135-S137 PolarHBondContact O-N 2.99Å; K135-S137 VanDerWaalsContact O-N 3.09Å; K135-A138 PolarHBondContact O-N 3.16Å
136N54.7Low75.5Confident120 Ų12091.6 Ų91.664%0.64246%0.461SS*.Hα-helixtrans-64.7-8.1174.2-69.5-4.4000113.2K134K134-N136 PolarHBondContact O-N 3.15Å; K134-N136 VanDerWaalsContact O-N 3.15Å
137S69.9Low75.7Confident30 Ų3092.5 Ų92.521%0.2147%0.466CS..Hα-helixtrans-74.5-35.5178.175.70000112.6F126 N130 K134 K135 D139 L140 Y141F126-S137 WeakPolarHBondContact CE2-O 3.15Å; F126-S137 WeakPolarHBondContact CZ-O 3.38Å; N130-S137 WeakPolarHBondContact OD1-CB 3.36Å; K134-S137 WeakPolarHBondContact O-CB 3.46Å; K134-S137 PolarHBondContact O-N 3.42Å; K134-S137 PolarHBondContact O-OG 3.41Å; K135-S137 PolarHBondContact O-N 2.99Å; K135-S137 VanDerWaalsContact O-N 3.09Å; S137-D139 PolarHBondContact O-N 3.45Å; S137-L140 PolarHBondContact O-N 2.98Å; S137-Y141 WeakPolarHBondContact O-CB 3.44Å; S137-Y141 PolarHBondContact O-N 3.24Å
138A78.5Confident76Confident59 Ų5990.3 Ų90.349%0.48845%0.454SS..Hα-helixtrans-65.3-46.2-172.100000112.4K135 L140 Y141 Q142K135-A138 PolarHBondContact O-N 3.16Å; A138-L140 VanDerWaalsContact C-N 3.33Å; A138-L140 PolarHBondContact O-N 3.46Å; A138-Y141 PolarHBondContact O-N 3.25Å; A138-Q142 WeakPolarHBondContact O-CB 3.36Å; A138-Q142 PolarHBondContact O-N 3.32Å
139D84.7Confident76.4Confident129 Ų12986.3 Ų86.369%0.6943%0.432SS*.Hα-helixtrans-63.9-40.1-179.6-67.6-18.8000111.8S137 Q142 L143S137-D139 PolarHBondContact O-N 3.45Å; D139-Q142 PolarHBondContact O-N 2.86Å; D139-L143 WeakPolarHBondContact O-CB 3.5Å; D139-L143 PolarHBondContact O-N 3.33Å
140L84.4Confident77.2Confident44 Ų4484.7 Ų84.723%0.2343%0.431CS..Hα-helixtrans-69.4-41.3179.9-172.560.6000111.6I96 F100 F126 S137 A138 Q142 L143 G144I96-L140 HydrophobicContact CB-CD2 3.86Å; I96-L140 HydrophobicContact CB-CG 4.5Å; I96-L140 HydrophobicContact CD1-CD2 4.19Å; I96-L140 HydrophobicContact CG2-CD1 4.34Å; I96-L140 HydrophobicContact CG2-CD2 3.85Å; I96-L140 HydrophobicContact CG2-CG 3.98Å; F100-L140 HydrophobicContact CD2-CD1 4.02Å; F100-L140 HydrophobicContact CE2-CD1 3.99Å; F100-L140 HydrophobicContact CE2-CG 4.13Å; F100-L140 VanDerWaalsContact CE2-O 3.27Å; F100-L140 WeakPolarHBondContact CE2-O 3.41Å; F126-L140 HydrophobicContact CD2-CD2 4.39Å; F126-L140 HydrophobicContact CD2-CG 4.45Å; F126-L140 HydrophobicContact CE2-CB 4.33Å; S137-L140 PolarHBondContact O-N 2.98Å; A138-L140 VanDerWaalsContact C-N 3.33Å; A138-L140 PolarHBondContact O-N 3.46Å; L140-Q142 VanDerWaalsContact C-N 3.33Å; L140-L143 WeakPolarHBondContact O-CB 3.38Å; L140-L143 PolarHBondContact O-N 3.25Å; L140-G144 PolarHBondContact O-N 3.41Å
141Y85.3Confident78.4Confident83 Ų8382.4 Ų82.433%0.32542%0.418SS..Hα-helixtrans-61.2-44.5173.1-169.3-114.1000111.6I123 F126 S137 A138 L143 G144 R145I123-Y141 HydrophobicContact CG2-CE2 4.22Å; F126-Y141 AromaticContact CD1-CD2 3.35Å; F126-Y141 HydrophobicContact CD1-CD2 3.35Å; F126-Y141 AromaticContact CD1-CE2 3.99Å; F126-Y141 HydrophobicContact CD1-CE2 3.99Å; F126-Y141 HydrophobicContact CD1-CG 4.18Å; F126-Y141 AromaticContact CE1-CD2 3.39Å; F126-Y141 HydrophobicContact CE1-CD2 3.39Å; F126-Y141 HydrophobicContact CE1-CE2 4.18Å; F126-Y141 AromaticContact CE1-CG 3.78Å; F126-Y141 HydrophobicContact CE1-CG 3.78Å; F126-Y141 AromaticContact CG-CD2 3.95Å; F126-Y141 HydrophobicContact CG-CD2 3.95Å; F126-Y141 VanDerWaalsContact CZ-CB 3.48Å; F126-Y141 HydrophobicContact CZ-CD2 4.03Å; F126-Y141 HydrophobicContact CZ-CG 4.04Å; S137-Y141 WeakPolarHBondContact O-CB 3.44Å; S137-Y141 PolarHBondContact O-N 3.24Å; A138-Y141 PolarHBondContact O-N 3.25Å; Y141-L143 VanDerWaalsContact C-N 3.3Å; Y141-L143 PolarHBondContact O-N 2.99Å; Y141-G144 PolarHBondContact O-N 2.85Å; Y141-R145 HydrophobicContact CD1-CG 4.28Å; Y141-R145 VanDerWaalsContact CE1-CD 3.45Å; Y141-R145 HydrophobicContact CE1-CG 4.05Å; Y141-R145 WeakPolarHBondContact O-CG 3.38Å; Y141-R145 PolarHBondContact O-N 3.22Å
142Q88Confident80Confident82 Ų8276.7 Ų76.738%0.38339%0.387SS..Hα-helixtrans-63.7-37.8177.6-169.959.542.200111.5A138 D139 L140 R145 N146A138-Q142 WeakPolarHBondContact O-CB 3.36Å; A138-Q142 PolarHBondContact O-N 3.32Å; D139-Q142 PolarHBondContact O-N 2.86Å; L140-Q142 VanDerWaalsContact C-N 3.33Å; Q142-R145 PolarHBondContact O-N 3.26Å; Q142-N146 PolarHBondContact NE2-OD1 3.38Å; Q142-N146 WeakPolarHBondContact O-CB 3.49Å; Q142-N146 PolarHBondContact O-N 3.22Å; Q142-N146 PolarHBondContact O-ND2 2.98Å; Q142-N146 PolarHBondContact O-OD1 3.23Å
143L88.5Confident81.7Confident62 Ų6274 Ų7433%0.32537%0.37SS..Hα-helixtrans-60-46.3173.2-168.8150.9000111.1F100 D139 L140 Y141 N146 Q147F100-L143 HydrophobicContact CB-CD2 3.31Å; F100-L143 HydrophobicContact CD2-CD2 3.5Å; F100-L143 VanDerWaalsContact CD2-CD2 3.5Å; F100-L143 HydrophobicContact CG-CD2 3.71Å; D139-L143 WeakPolarHBondContact O-CB 3.5Å; D139-L143 PolarHBondContact O-N 3.33Å; L140-L143 WeakPolarHBondContact O-CB 3.38Å; L140-L143 PolarHBondContact O-N 3.25Å; Y141-L143 VanDerWaalsContact C-N 3.3Å; Y141-L143 PolarHBondContact O-N 2.99Å; L143-N146 PolarHBondContact O-N 3.44Å; L143-Q147 HydrophobicContact CD2-CG 4.21Å; L143-Q147 WeakPolarHBondContact O-CG 3.39Å; L143-Q147 PolarHBondContact O-N 3.32Å
144G89.8Confident83.7Confident0 Ų067.4 Ų67.40%034%0.337CS..Hα-helixtrans-59.3-47.6175.200000113F100 L140 Y141 N146 Q147 L148F100-G144 VanDerWaalsContact CE1-CA 3.44Å; L140-G144 PolarHBondContact O-N 3.41Å; Y141-G144 PolarHBondContact O-N 2.85Å; G144-N146 VanDerWaalsContact C-N 3.34Å; G144-N146 PolarHBondContact O-N 2.76Å; G144-Q147 PolarHBondContact O-N 3.07Å; G144-L148 WeakPolarHBondContact O-CB 3.27Å; G144-L148 PolarHBondContact O-N 3.01Å
145R90.7Very high85.6Confident106 Ų10664 Ų6440%0.432%0.321SS..Hα-helixtrans-60.4-41.7175.9-72.1-173.569.3-167.35.5112.4Y141 Q142 L148 F149Y141-R145 HydrophobicContact CD1-CG 4.28Å; Y141-R145 VanDerWaalsContact CE1-CD 3.45Å; Y141-R145 HydrophobicContact CE1-CG 4.05Å; Y141-R145 WeakPolarHBondContact O-CG 3.38Å; Y141-R145 PolarHBondContact O-N 3.22Å; Q142-R145 PolarHBondContact O-N 3.26Å; R145-L148 PolarHBondContact O-N 3.16Å; R145-F149 WeakPolarHBondContact O-CB 3.43Å; R145-F149 PolarHBondContact O-N 3.49Å
146N92.1Very high87.4Confident81 Ų8154.5 Ų54.543%0.43328%0.28SS..Hα-helixtrans-64.6-44177.8-70.8-10.1000111.3Q142 L143 G144 F149 L150Q142-N146 PolarHBondContact NE2-OD1 3.38Å; Q142-N146 WeakPolarHBondContact O-CB 3.49Å; Q142-N146 PolarHBondContact O-N 3.22Å; Q142-N146 PolarHBondContact O-ND2 2.98Å; Q142-N146 PolarHBondContact O-OD1 3.23Å; L143-N146 PolarHBondContact O-N 3.44Å; G144-N146 VanDerWaalsContact C-N 3.34Å; G144-N146 PolarHBondContact O-N 2.76Å; N146-F149 PolarHBondContact O-N 3.01Å; N146-L150 VanDerWaalsContact O-CG 3.28Å; N146-L150 WeakPolarHBondContact O-CG 3.36Å; N146-L150 PolarHBondContact O-N 3.19Å
147Q92.2Very high89.1Confident32 Ų3250.4 Ų50.415%0.1526%0.257CS..Hα-helixtrans-64.4-42.3175.6-68.3-60.5-15.300111.5F100 I119 L143 G144 F149 L150 T151F100-Q147 HydrophobicContact CB-CG 4.38Å; I119-Q147 HydrophobicContact CD1-CB 3.84Å; I119-Q147 HydrophobicContact CG1-CB 4.23Å; L143-Q147 HydrophobicContact CD2-CG 4.21Å; L143-Q147 WeakPolarHBondContact O-CG 3.39Å; L143-Q147 PolarHBondContact O-N 3.32Å; G144-Q147 PolarHBondContact O-N 3.07Å; Q147-F149 PolarHBondContact O-N 3.41Å; Q147-L150 PolarHBondContact O-N 3.42Å; Q147-T151 PolarHBondContact O-N 3.01Å; Q147-T151 PolarHBondContact O-OG1 2.87Å; Q147-T151 VanDerWaalsContact O-OG1 3.06Å
148L93.4Very high90Very high37 Ų3751.8 Ų51.819%0.19426%0.26CS..Hα-helixtrans-58-49176-176.661.4000111.1L116 I119 M120 I123 G144 R145 L150 T151 I152L116-L148 HydrophobicContact CD2-CD1 3.74Å; I119-L148 HydrophobicContact CG2-CB 3.85Å; I119-L148 HydrophobicContact CG2-CD1 4.34Å; M120-L148 HydrophobicContact SD-CD1 4.13Å; M120-L148 HydrophobicContact SD-CD2 4.05Å; I123-L148 HydrophobicContact CD1-CD2 4.03Å; G144-L148 WeakPolarHBondContact O-CB 3.27Å; G144-L148 PolarHBondContact O-N 3.01Å; R145-L148 PolarHBondContact O-N 3.16Å; L148-L150 PolarHBondContact O-N 3.13Å; L148-T151 PolarHBondContact O-N 3.33Å; L148-I152 HydrophobicContact CD1-CD1 3.91Å; L148-I152 HydrophobicContact CD1-CG1 4.19Å; L148-I152 HydrophobicContact CG-CD1 3.8Å; L148-I152 HydrophobicContact CG-CG1 4.44Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 3.17Å
149F93.9Very high90.7Very high36 Ų3649.2 Ų49.216%0.15824%0.237CC..Hα-helixtrans-56-47.7176.6-178.6-83.6000111.8R145 N146 Q147 T151 N153 L175 V178 D179 L185R145-F149 WeakPolarHBondContact O-CB 3.43Å; R145-F149 PolarHBondContact O-N 3.49Å; N146-F149 PolarHBondContact O-N 3.01Å; Q147-F149 PolarHBondContact O-N 3.41Å; F149-T151 PolarHBondContact O-N 2.57Å; F149-N153 WeakPolarHBondContact O-CB 3.03Å; F149-N153 PolarHBondContact O-N 2.76Å; F149-L175 HydrophobicContact CB-CD2 4.46Å; F149-L175 HydrophobicContact CD2-CD2 3.45Å; F149-L175 VanDerWaalsContact CD2-CD2 3.45Å; F149-L175 HydrophobicContact CE2-CB 4Å; F149-L175 HydrophobicContact CE2-CD2 3.77Å; F149-L175 HydrophobicContact CE2-CG 4.44Å; F149-L175 HydrophobicContact CG-CD2 3.96Å; F149-V178 HydrophobicContact CD2-CG1 4.35Å; F149-V178 HydrophobicContact CE2-CB 4.46Å; F149-D179 HydrophobicContact CE2-CB 4.07Å; F149-D179 HydrophobicContact CZ-CB 4.11Å; F149-L185 HydrophobicContact CE2-CD1 4.18Å; F149-L185 HydrophobicContact CZ-CD1 3.68Å
150L92.9Very high90.9Very high69 Ų6944.4 Ų44.436%0.36121%0.212SC..Hα-helixtrans-64.7-38178.7-68.7173.5000112.6N146 Q147 L148 S154N146-L150 VanDerWaalsContact O-CG 3.28Å; N146-L150 WeakPolarHBondContact O-CG 3.36Å; N146-L150 PolarHBondContact O-N 3.19Å; Q147-L150 PolarHBondContact O-N 3.42Å; L148-L150 PolarHBondContact O-N 3.13Å; L150-S154 PolarHBondContact O-N 2.88Å; L150-S154 PolarHBondContact O-OG 3.3Å
151T92.5Very high91.2Very high0 Ų048.1 Ų48.10%023%0.226CC..Hα-helixtrans-70.6-44.6178.2-57.30000111.9R107 L112 S115 L116 I119 Q147 L148 F149 N153 S154 Y155R107-T151 WeakPolarHBondContact CD-OG1 3.39Å; L112-T151 HydrophobicContact CD2-CG2 4.45Å; S115-T151 WeakPolarHBondContact OG-CG2 3.39Å; S115-T151 PolarHBondContact OG-OG1 3.44Å; L116-T151 HydrophobicContact CD2-CG2 3.51Å; L116-T151 HydrophobicContact CG-CG2 3.63Å; I119-T151 VanDerWaalsContact CD1-OG1 3.31Å; I119-T151 WeakPolarHBondContact CD1-OG1 3.33Å; Q147-T151 PolarHBondContact O-N 3.01Å; Q147-T151 PolarHBondContact O-OG1 2.87Å; Q147-T151 VanDerWaalsContact O-OG1 3.06Å; L148-T151 PolarHBondContact O-N 3.33Å; F149-T151 PolarHBondContact O-N 2.57Å; T151-N153 VanDerWaalsContact C-N 3.31Å; T151-N153 PolarHBondContact O-N 3.09Å; T151-S154 WeakPolarHBondContact O-CB 3.05Å; T151-S154 PolarHBondContact O-N 3.44Å; T151-Y155 WeakPolarHBondContact O-CB 3.26Å; T151-Y155 PolarHBondContact O-N 2.85Å
152I93.9Very high91.5Very high34 Ų3449 Ų4917%0.17423%0.233CC..Hα-helixtrans-61.5-42.3175.2-65.1170000110.2L116 L148 S154 Y155 A156 L171 L175L116-I152 HydrophobicContact CD2-CG1 3.8Å; L148-I152 HydrophobicContact CD1-CD1 3.91Å; L148-I152 HydrophobicContact CD1-CG1 4.19Å; L148-I152 HydrophobicContact CG-CD1 3.8Å; L148-I152 HydrophobicContact CG-CG1 4.44Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 3.17Å; I152-S154 PolarHBondContact O-N 3.07Å; I152-Y155 CarbonylContact O-C 3.54Å; I152-Y155 WeakPolarHBondContact O-CB 3.26Å; I152-Y155 PolarHBondContact O-N 3.33Å; I152-Y155 VanDerWaalsContact O-N 3.12Å; I152-A156 PolarHBondContact O-N 3.46Å; I152-L171 HydrophobicContact CG2-CB 4.17Å; I152-L171 HydrophobicContact CG2-CD2 4.31Å; I152-L175 HydrophobicContact CB-CD1 4.42Å; I152-L175 HydrophobicContact CB-CD2 4.02Å; I152-L175 HydrophobicContact CG2-CD1 3.9Å; I152-L175 HydrophobicContact CG2-CD2 3.88Å; I152-L175 HydrophobicContact CG2-CG 3.89Å
153N92Very high91.7Very high32 Ų3250.3 Ų50.317%0.17124%0.239CC..Hα-helixtrans-60-45.5175.4-174.18.3000111.7F149 T151 Y155 A156 I157 L175F149-N153 WeakPolarHBondContact O-CB 3.03Å; F149-N153 PolarHBondContact O-N 2.76Å; T151-N153 VanDerWaalsContact C-N 3.31Å; T151-N153 PolarHBondContact O-N 3.09Å; N153-Y155 VanDerWaalsContact C-N 3.25Å; N153-Y155 PolarHBondContact O-N 3.41Å; N153-A156 PolarHBondContact O-N 3Å; N153-I157 WeakPolarHBondContact O-CG1 3.47Å; N153-I157 PolarHBondContact O-N 3.38Å; N153-L175 HydrophobicContact CB-CD1 3.8Å
154S92.2Very high92Very high37 Ų3751.6 Ų51.626%0.25924%0.242SC..Hα-helixtrans-60.2-37.7175.3-54.20000111.8R107 L150 T151 I152 I157 K158R107-S154 WeakPolarHBondContact CD-OG 3.18Å; L150-S154 PolarHBondContact O-N 2.88Å; L150-S154 PolarHBondContact O-OG 3.3Å; T151-S154 WeakPolarHBondContact O-CB 3.05Å; T151-S154 PolarHBondContact O-N 3.44Å; I152-S154 PolarHBondContact O-N 3.07Å; S154-I157 PolarHBondContact O-N 3.37Å; S154-K158 PolarHBondContact O-N 2.96Å
155Y93.5Very high92.3Very high72 Ų7253.9 Ų53.928%0.28225%0.251SS..Hα-helixtrans-69.3-42.3177.5-166.7-93000112.1L112 T113 T151 I152 N153 I157 K158 L159 L171L112-Y155 HydrophobicContact CB-CD2 3.8Å; L112-Y155 HydrophobicContact CD1-CD2 3.96Å; L112-Y155 HydrophobicContact CD1-CG 4.44Å; T113-Y155 HydrophobicContact CG2-CE2 4.25Å; T151-Y155 WeakPolarHBondContact O-CB 3.26Å; T151-Y155 PolarHBondContact O-N 2.85Å; I152-Y155 CarbonylContact O-C 3.54Å; I152-Y155 WeakPolarHBondContact O-CB 3.26Å; I152-Y155 PolarHBondContact O-N 3.33Å; I152-Y155 VanDerWaalsContact O-N 3.12Å; N153-Y155 VanDerWaalsContact C-N 3.25Å; N153-Y155 PolarHBondContact O-N 3.41Å; Y155-I157 VanDerWaalsContact C-N 3.31Å; Y155-I157 PolarHBondContact O-N 3.49Å; Y155-K158 WeakPolarHBondContact O-CB 3.5Å; Y155-K158 PolarHBondContact O-N 3.1Å; Y155-K158 VanDerWaalsContact O-N 3.09Å; Y155-L159 HydrophobicContact CD1-CD1 3.82Å; Y155-L159 HydrophobicContact CD1-CG 4.05Å; Y155-L159 HydrophobicContact CE1-CD1 3.69Å; Y155-L159 HydrophobicContact CE1-CD2 4.07Å; Y155-L159 HydrophobicContact CE1-CG 3.89Å; Y155-L159 WeakPolarHBondContact O-CG 3.43Å; Y155-L159 PolarHBondContact O-N 2.99Å; Y155-L171 HydrophobicContact CD1-CD1 3.5Å; Y155-L171 VanDerWaalsContact CD1-CD1 3.5Å; Y155-L171 HydrophobicContact CE1-CD1 4.07Å
156A91.9Very high92.5Very high0 Ų053.5 Ų53.50%025%0.254CS..Hα-helixtrans-58.9-42.2173.800000111.8I152 N153 K158 L159 L160 S168 L171 I172 L188I152-A156 PolarHBondContact O-N 3.46Å; N153-A156 PolarHBondContact O-N 3Å; A156-K158 VanDerWaalsContact C-N 3.34Å; A156-K158 PolarHBondContact O-N 2.89Å; A156-L159 PolarHBondContact O-N 2.99Å; A156-L160 PolarHBondContact O-N 3.15Å; A156-S168 PolarHBondContact O-OG 3.16Å; A156-L171 HydrophobicContact CB-CB 4.13Å; A156-L171 HydrophobicContact CB-CD1 4.49Å; A156-I172 HydrophobicContact CB-CD1 4.39Å; A156-I172 HydrophobicContact CB-CG1 3.87Å; A156-L188 HydrophobicContact CB-CD2 4.34Å
157I90.2Very high92.7Very high33 Ų3354 Ų5417%0.16925%0.253CS..Hα-helixtrans-63-40.8174.4-66.2167.1000111.1N153 S154 Y155 L160 K161 L188N153-I157 WeakPolarHBondContact O-CG1 3.47Å; N153-I157 PolarHBondContact O-N 3.38Å; S154-I157 PolarHBondContact O-N 3.37Å; Y155-I157 VanDerWaalsContact C-N 3.31Å; Y155-I157 PolarHBondContact O-N 3.49Å; I157-L160 PolarHBondContact O-N 3.08Å; I157-K161 HydrophobicContact CG2-CD 4.5Å; I157-K161 WeakPolarHBondContact O-CG 3.18Å; I157-K161 PolarHBondContact O-N 2.83Å; I157-L188 HydrophobicContact CG1-CD1 4.15Å; I157-L188 HydrophobicContact CG1-CD2 3.67Å
158K90.2Very high92.8Very high60 Ų6052.4 Ų52.426%0.26125%0.246SC..Hα-helixtrans-62.1-43.5176.4-175.1171.1-175.1149.50111.7D110 L112 S154 Y155 A156 K161 Q162D110-K158 PolarHBondContact O-NZ 3.44Å; D110-K158 IonicContact OD1-NZ 3.16Å; D110-K158 PolarHBondContact OD1-NZ 3.35Å; D110-K158 IonicContact OD2-NZ 2.75Å; D110-K158 PolarHBondContact OD2-NZ 3.31Å; L112-K158 HydrophobicContact CD1-CB 4.08Å; L112-K158 HydrophobicContact CD1-CD 3.68Å; S154-K158 PolarHBondContact O-N 2.96Å; Y155-K158 WeakPolarHBondContact O-CB 3.5Å; Y155-K158 PolarHBondContact O-N 3.1Å; Y155-K158 VanDerWaalsContact O-N 3.09Å; A156-K158 VanDerWaalsContact C-N 3.34Å; A156-K158 PolarHBondContact O-N 2.89Å; K158-K161 PolarHBondContact O-N 2.83Å; K158-Q162 WeakPolarHBondContact O-CG 3.28Å; K158-Q162 PolarHBondContact O-N 3.01Å; K158-Q162 VanDerWaalsContact O-N 3.1Å
159L91.9Very high93Very high4 Ų451.6 Ų51.62%0.02124%0.242CC..Hα-helixtrans-61.8-42174.9-69175.1000112Y155 A156 K161 Q162 E163 K164 E167 L171Y155-L159 HydrophobicContact CD1-CD1 3.82Å; Y155-L159 HydrophobicContact CD1-CG 4.05Å; Y155-L159 HydrophobicContact CE1-CD1 3.69Å; Y155-L159 HydrophobicContact CE1-CD2 4.07Å; Y155-L159 HydrophobicContact CE1-CG 3.89Å; Y155-L159 WeakPolarHBondContact O-CG 3.43Å; Y155-L159 PolarHBondContact O-N 2.99Å; A156-L159 PolarHBondContact O-N 2.99Å; L159-K161 VanDerWaalsContact C-N 3.33Å; L159-K161 PolarHBondContact O-N 3.45Å; L159-Q162 CarbonylContact O-C 3.38Å; L159-Q162 WeakPolarHBondContact O-CA 3.33Å; L159-Q162 WeakPolarHBondContact O-CB 3.04Å; L159-Q162 PolarHBondContact O-N 2.96Å; L159-E163 PolarHBondContact O-N 3.13Å; L159-K164 HydrophobicContact CB-CB 4.24Å; L159-K164 HydrophobicContact CD2-CB 4.32Å; L159-K164 HydrophobicContact CD2-CD 3.66Å; L159-K164 WeakPolarHBondContact O-CB 3.5Å; L159-K164 PolarHBondContact O-N 3.26Å; L159-E167 HydrophobicContact CD1-CB 3.93Å; L159-L171 HydrophobicContact CD1-CD1 3.67Å
160L89.2Confident93.1Very high29 Ų2954.4 Ų54.415%0.15226%0.256CS..Hα-helixtrans-59.8-43.8176.1-173153.9000111.4A156 I157 Q162 E163 L188 D191 F195A156-L160 PolarHBondContact O-N 3.15Å; I157-L160 PolarHBondContact O-N 3.08Å; L160-Q162 PolarHBondContact O-N 3.37Å; L160-E163 PolarHBondContact O-N 3.28Å; L160-L188 HydrophobicContact CD1-CD1 3.53Å; L160-L188 HydrophobicContact CD1-CG 4.2Å; L160-D191 HydrophobicContact CD1-CB 4.07Å; L160-F195 HydrophobicContact CD2-CE2 4.49Å
161K90.1Very high93.2Very high122 Ų12252.9 Ų52.953%0.5325%0.248SC..Hα-helixtrans-63.7-27.3175.6-70.8177.9-178.1178.20113.1I157 K158 L159 E163 N443I157-K161 HydrophobicContact CG2-CD 4.5Å; I157-K161 WeakPolarHBondContact O-CG 3.18Å; I157-K161 PolarHBondContact O-N 2.83Å; K158-K161 PolarHBondContact O-N 2.83Å; L159-K161 VanDerWaalsContact C-N 3.33Å; L159-K161 PolarHBondContact O-N 3.45Å; K161-E163 PolarHBondContact O-N 2.97Å; K161-N443 PolarHBondContact NZ-OD1 3.34Å
162Q92.4Very high93.2Very high102 Ų10252.9 Ų52.948%0.47725%0.248SC..THydrogen-bonded Turntrans-84.59.9173.8-67.7176.4-7.200112.9K158 L159 L160 K164K158-Q162 WeakPolarHBondContact O-CG 3.28Å; K158-Q162 PolarHBondContact O-N 3.01Å; K158-Q162 VanDerWaalsContact O-N 3.1Å; L159-Q162 CarbonylContact O-C 3.38Å; L159-Q162 WeakPolarHBondContact O-CA 3.33Å; L159-Q162 WeakPolarHBondContact O-CB 3.04Å; L159-Q162 PolarHBondContact O-N 2.96Å; L160-Q162 PolarHBondContact O-N 3.37Å; Q162-K164 HydrophobicContact CB-CD 4.41Å; Q162-K164 HydrophobicContact CB-CG 4.25Å; Q162-K164 PolarHBondContact O-N 2.84Å; Q162-K164 VanDerWaalsContact O-N 3.15Å
163E93.1Very high93.3Very high109 Ų10956 Ų5651%0.50926%0.257SS..THydrogen-bonded Turntrans61.318.3-177.9-52.6-176.8170.200113.3L159 L160 K161 Y165 K436L159-E163 PolarHBondContact O-N 3.13Å; L160-E163 PolarHBondContact O-N 3.28Å; K161-E163 PolarHBondContact O-N 2.97Å; E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 HydrophobicContact CB-CE1 4.36Å; E163-Y165 HydrophobicContact CB-CE2 4.07Å; E163-Y165 WeakPolarHBondContact CG-OH 3.36Å; E163-Y165 WeakPolarHBondContact O-CD2 3.16Å; E163-Y165 WeakPolarHBondContact O-CE2 3.4Å; E163-Y165 PolarHBondContact O-N 3.41Å; E163-Y165 VanDerWaalsContact O-N 3.16Å; E163-K436 IonicContact OE1-NZ 2.76Å; E163-K436 PolarHBondContact OE1-NZ 3.44Å; E163-K436 VanDerWaalsContact OE1-NZ 3.16Å
164K94.6Very high93.4Very high89 Ų8959.6 Ų59.639%0.38727%0.273SS..  trans-88.565.6175.8-64.9-178.8167.2-158.80111.2L159 Q162 Q166 E167 S168L159-K164 HydrophobicContact CB-CB 4.24Å; L159-K164 HydrophobicContact CD2-CB 4.32Å; L159-K164 HydrophobicContact CD2-CD 3.66Å; L159-K164 WeakPolarHBondContact O-CB 3.5Å; L159-K164 PolarHBondContact O-N 3.26Å; Q162-K164 HydrophobicContact CB-CD 4.41Å; Q162-K164 HydrophobicContact CB-CG 4.25Å; Q162-K164 PolarHBondContact O-N 2.84Å; Q162-K164 VanDerWaalsContact O-N 3.15Å; K164-Q166 PolarHBondContact O-N 3.01Å; K164-E167 IonicContact NZ-OE2 3.43Å; K164-S168 WeakPolarHBondContact O-CB 3.48Å; K164-S168 PolarHBondContact O-N 2.85Å; K164-S168 VanDerWaalsContact O-N 3.08Å
165Y94.7Very high93.5Very high48 Ų4858.1 Ų58.119%0.18826%0.262CS..Hα-helixtrans-64.7-39-169.2-50.1-59.7000114.2E163 N169 F195 M196E163-Y165 VanDerWaalsContact C-N 3.33Å; E163-Y165 HydrophobicContact CB-CE1 4.36Å; E163-Y165 HydrophobicContact CB-CE2 4.07Å; E163-Y165 WeakPolarHBondContact CG-OH 3.36Å; E163-Y165 WeakPolarHBondContact O-CD2 3.16Å; E163-Y165 WeakPolarHBondContact O-CE2 3.4Å; E163-Y165 PolarHBondContact O-N 3.41Å; E163-Y165 VanDerWaalsContact O-N 3.16Å; Y165-N169 VanDerWaalsContact O-CB 3.26Å; Y165-N169 WeakPolarHBondContact O-CB 3.43Å; Y165-N169 PolarHBondContact O-N 3.08Å; Y165-F195 HydrophobicContact CD1-CB 3.65Å; Y165-F195 AromaticContact CD1-CD2 3.99Å; Y165-F195 HydrophobicContact CD1-CD2 3.99Å; Y165-F195 HydrophobicContact CD1-CG 4.12Å; Y165-F195 HydrophobicContact CD2-CB 3.83Å; Y165-F195 HydrophobicContact CE1-CB 3.46Å; Y165-F195 VanDerWaalsContact CE1-CB 3.46Å; Y165-F195 HydrophobicContact CE1-CD1 4.4Å; Y165-F195 AromaticContact CE1-CD2 3.55Å; Y165-F195 HydrophobicContact CE1-CD2 3.55Å; Y165-F195 HydrophobicContact CE1-CE2 4.42Å; Y165-F195 AromaticContact CE1-CG 3.56Å; Y165-F195 HydrophobicContact CE1-CG 3.56Å; Y165-F195 HydrophobicContact CE2-CB 3.64Å; Y165-F195 HydrophobicContact CE2-CG 4.4Å; Y165-F195 HydrophobicContact CG-CB 3.83Å; Y165-F195 VanDerWaalsContact CZ-CB 3.44Å; Y165-F195 AromaticContact CZ-CG 3.71Å; Y165-M196 HydrophobicContact CG-CG 4.42Å
166Q96Very high93.6Very high97 Ų9755.4 Ų55.445%0.45325%0.252SS..Hα-helixtrans-65.3-53.5-178.9-179.163.22200111.6K164 S168 N169 E170K164-Q166 PolarHBondContact O-N 3.01Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 3.03Å; Q166-N169 PolarHBondContact O-N 3.05Å; Q166-N169 VanDerWaalsContact O-N 3.15Å; Q166-E170 PolarHBondContact NE2-OE1 2.98Å; Q166-E170 WeakPolarHBondContact O-CG 3.34Å; Q166-E170 PolarHBondContact O-N 3.43Å
167E96Very high93.7Very high91 Ų9163.1 Ų63.143%0.42529%0.288SS..Hα-helixtrans-59.1-41.3177.2-64.4174.2-152.400111.3L159 K164 E170 L171L159-E167 HydrophobicContact CD1-CB 3.93Å; K164-E167 IonicContact NZ-OE2 3.43Å; E167-E170 PolarHBondContact O-N 3.1Å; E167-L171 PolarHBondContact O-N 3.31Å
168S94.7Very high93.7Very high0 Ų065.6 Ų65.60%031%0.305CS..Hα-helixtrans-60.4-47.5175.3-176.40000111.5A156 K164 Q166 E170 L171 I172 C192A156-S168 PolarHBondContact O-OG 3.16Å; K164-S168 WeakPolarHBondContact O-CB 3.48Å; K164-S168 PolarHBondContact O-N 2.85Å; K164-S168 VanDerWaalsContact O-N 3.08Å; Q166-S168 VanDerWaalsContact C-N 3.29Å; Q166-S168 PolarHBondContact O-N 3.03Å; S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 3.37Å; S168-L171 PolarHBondContact O-N 3.06Å; S168-I172 VanDerWaalsContact O-CD1 3.29Å; S168-I172 WeakPolarHBondContact O-CD1 3.49Å; S168-I172 WeakPolarHBondContact O-CG1 3.13Å; S168-I172 PolarHBondContact O-N 3.42Å; S168-C192 PolarHBondContact OG-SG 3.27Å
169N96.1Very high93.7Very high19 Ų1965.5 Ų65.510%0.10231%0.307CS..Hα-helixtrans-63.1-38.1-180-166.842.5000112.5Y165 Q166 I172 R173 S189 C192Y165-N169 VanDerWaalsContact O-CB 3.26Å; Y165-N169 WeakPolarHBondContact O-CB 3.43Å; Y165-N169 PolarHBondContact O-N 3.08Å; Q166-N169 PolarHBondContact O-N 3.05Å; Q166-N169 VanDerWaalsContact O-N 3.15Å; N169-I172 PolarHBondContact O-N 3.45Å; N169-R173 WeakPolarHBondContact O-CG 3.48Å; N169-R173 PolarHBondContact O-N 2.57Å; N169-S189 PolarHBondContact OD1-OG 3.39Å; N169-C192 HydrophobicContact CB-CB 3.94Å
170E96.4Very high93.7Very high96 Ų9669.3 Ų69.345%0.44933%0.333SS..Hα-helixtrans-61.3-45.3176.4-74.1169.9-167.600112.1Q166 E167 S168 I172 R173 Q174Q166-E170 PolarHBondContact NE2-OE1 2.98Å; Q166-E170 WeakPolarHBondContact O-CG 3.34Å; Q166-E170 PolarHBondContact O-N 3.43Å; E167-E170 PolarHBondContact O-N 3.1Å; S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 3.37Å; E170-I172 VanDerWaalsContact C-N 3.33Å; E170-I172 PolarHBondContact O-N 3.47Å; E170-R173 PolarHBondContact O-N 2.72Å; E170-Q174 WeakPolarHBondContact O-CG 3.27Å; E170-Q174 PolarHBondContact O-N 3.15Å; E170-Q174 VanDerWaalsContact O-N 3.13Å
171L94.7Very high93.7Very high37 Ų3775.5 Ų75.519%0.19436%0.358CS..Hα-helixtrans-64.5-38.6174.8-66.3-179.5000112.2I152 Y155 A156 L159 E167 S168 R173 Q174 L175I152-L171 HydrophobicContact CG2-CB 4.17Å; I152-L171 HydrophobicContact CG2-CD2 4.31Å; Y155-L171 HydrophobicContact CD1-CD1 3.5Å; Y155-L171 VanDerWaalsContact CD1-CD1 3.5Å; Y155-L171 HydrophobicContact CE1-CD1 4.07Å; A156-L171 HydrophobicContact CB-CB 4.13Å; A156-L171 HydrophobicContact CB-CD1 4.49Å; L159-L171 HydrophobicContact CD1-CD1 3.67Å; E167-L171 PolarHBondContact O-N 3.31Å; S168-L171 PolarHBondContact O-N 3.06Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.98Å; L171-Q174 PolarHBondContact O-N 3.32Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.1Å
172I94.2Very high93.7Very high0 Ų071 Ų710%034%0.34CS..Hα-helixtrans-65.1-39.7177.8-66159.3000110.8A156 S168 N169 E170 L175 L176 L185 L188A156-I172 HydrophobicContact CB-CD1 4.39Å; A156-I172 HydrophobicContact CB-CG1 3.87Å; S168-I172 VanDerWaalsContact O-CD1 3.29Å; S168-I172 WeakPolarHBondContact O-CD1 3.49Å; S168-I172 WeakPolarHBondContact O-CG1 3.13Å; S168-I172 PolarHBondContact O-N 3.42Å; N169-I172 PolarHBondContact O-N 3.45Å; E170-I172 VanDerWaalsContact C-N 3.33Å; E170-I172 PolarHBondContact O-N 3.47Å; I172-L175 PolarHBondContact O-N 3.29Å; I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 HydrophobicContact CG2-CG 4.32Å; I172-L176 WeakPolarHBondContact O-CB 3.45Å; I172-L176 WeakPolarHBondContact O-CG 3.49Å; I172-L176 PolarHBondContact O-N 3.05Å; I172-L185 HydrophobicContact CG2-CB 4.2Å; I172-L185 WeakPolarHBondContact CG2-O 3.45Å; I172-L188 HydrophobicContact CD1-CB 3.88Å; I172-L188 HydrophobicContact CD1-CD2 3.46Å; I172-L188 VanDerWaalsContact CD1-CD2 3.46Å; I172-L188 HydrophobicContact CD1-CG 3.4Å; I172-L188 HydrophobicContact CG1-CD2 3.79Å; I172-L188 HydrophobicContact CG1-CG 4.23Å
173R95.2Very high93.5Very high99 Ų9968.3 Ų68.337%0.37433%0.326SS..Hα-helixtrans-60.7-44.9174.9-72.5-63.6-172.8-163.2-0.3111.5N169 E170 L171 L175 L176 E177 E205N169-R173 WeakPolarHBondContact O-CG 3.48Å; N169-R173 PolarHBondContact O-N 2.57Å; E170-R173 PolarHBondContact O-N 2.72Å; L171-R173 VanDerWaalsContact C-N 3.33Å; L171-R173 PolarHBondContact O-N 2.98Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L175 PolarHBondContact O-N 3.46Å; R173-L176 PolarHBondContact O-N 2.76Å; R173-L176 VanDerWaalsContact O-N 3.17Å; R173-E177 PolarHBondContact O-N 3.13Å; R173-E205 IonicContact CZ-OE1 2.76Å; R173-E205 IonicContact NH1-OE1 3.68Å; R173-E205 PolarHBondContact NH1-OE1 3.49Å; R173-E205 IonicContact NH2-OE1 3.48Å; R173-E205 PolarHBondContact NH2-OE1 3.34Å
174Q94.6Very high93.2Very high107 Ų10768 Ų6850%0.532%0.32SS..Hα-helixtrans-60-38.8174.3-67.2173.96.800112.3E170 L171 E177E170-Q174 WeakPolarHBondContact O-CG 3.27Å; E170-Q174 PolarHBondContact O-N 3.15Å; E170-Q174 VanDerWaalsContact O-N 3.13Å; L171-Q174 PolarHBondContact O-N 3.32Å; Q174-E177 PolarHBondContact O-N 3.24Å
175L94.7Very high93Very high6 Ų663.8 Ų63.83%0.03130%0.302CS..Hα-helixtrans-70.2-35.6176-66.7173.5000112.9F149 I152 N153 L171 I172 R173 E177 V178 D179 L185F149-L175 HydrophobicContact CB-CD2 4.46Å; F149-L175 HydrophobicContact CD2-CD2 3.45Å; F149-L175 VanDerWaalsContact CD2-CD2 3.45Å; F149-L175 HydrophobicContact CE2-CB 4Å; F149-L175 HydrophobicContact CE2-CD2 3.77Å; F149-L175 HydrophobicContact CE2-CG 4.44Å; F149-L175 HydrophobicContact CG-CD2 3.96Å; I152-L175 HydrophobicContact CB-CD1 4.42Å; I152-L175 HydrophobicContact CB-CD2 4.02Å; I152-L175 HydrophobicContact CG2-CD1 3.9Å; I152-L175 HydrophobicContact CG2-CD2 3.88Å; I152-L175 HydrophobicContact CG2-CG 3.89Å; N153-L175 HydrophobicContact CB-CD1 3.8Å; L171-L175 WeakPolarHBondContact O-CG 3.33Å; L171-L175 PolarHBondContact O-N 3.1Å; I172-L175 PolarHBondContact O-N 3.29Å; R173-L175 VanDerWaalsContact C-N 3.29Å; R173-L175 PolarHBondContact O-N 3.46Å; L175-E177 VanDerWaalsContact C-N 3.31Å; L175-V178 WeakPolarHBondContact O-CB 3.21Å; L175-V178 PolarHBondContact O-N 2.84Å; L175-V178 VanDerWaalsContact O-N 3.15Å; L175-D179 PolarHBondContact O-N 3.49Å; L175-L185 HydrophobicContact CB-CD1 3.51Å; L175-L185 HydrophobicContact CB-CD2 4.31Å; L175-L185 HydrophobicContact CD1-CD1 4.48Å; L175-L185 HydrophobicContact CD1-CD2 3.89Å
176L94Very high93Very high15 Ų1562.1 Ų62.18%0.07930%0.296CS..Hα-helixtrans-68.9-27.3176.4-77.3168.7000112.7I172 R173 V178 D179 P180 L185 L186I172-L176 HydrophobicContact CG2-CD1 3.92Å; I172-L176 HydrophobicContact CG2-CG 4.32Å; I172-L176 WeakPolarHBondContact O-CB 3.45Å; I172-L176 WeakPolarHBondContact O-CG 3.49Å; I172-L176 PolarHBondContact O-N 3.05Å; R173-L176 PolarHBondContact O-N 2.76Å; R173-L176 VanDerWaalsContact O-N 3.17Å; L176-V178 PolarHBondContact O-N 3.41Å; L176-D179 CarbonylContact O-C 3.46Å; L176-P180 WeakPolarHBondContact O-CA 3.19Å; L176-P180 WeakPolarHBondContact O-CB 3.41Å; L176-P180 WeakPolarHBondContact O-CD 3.27Å; L176-L185 HydrophobicContact CD2-CB 3.6Å; L176-L185 HydrophobicContact CD2-CD1 4.28Å; L176-L185 HydrophobicContact CG-CB 3.9Å; L176-L185 HydrophobicContact CG-CD1 4.37Å; L176-L186 HydrophobicContact CD1-CD2 3.92Å; L176-L186 HydrophobicContact CD2-CD2 3.68Å; L176-L186 HydrophobicContact CD2-CG 3.95Å; L176-L186 HydrophobicContact CG-CD2 4.48Å
177E94.3Very high92.7Very high162 Ų16258.6 Ų58.676%0.75728%0.28SS*.Hα-helixtrans-63-32.5170-70.5174.6-175.500111.7R173 Q174 L175R173-E177 PolarHBondContact O-N 3.13Å; Q174-E177 PolarHBondContact O-N 3.24Å; L175-E177 VanDerWaalsContact C-N 3.31Å
178V90.8Very high92.5Very high86 Ų8655.2 Ų55.252%0.52127%0.265SS..Hα-helixtrans-82.5-43.9178.3-178.90000111.9F149 L175 L176F149-V178 HydrophobicContact CD2-CG1 4.35Å; F149-V178 HydrophobicContact CE2-CB 4.46Å; L175-V178 WeakPolarHBondContact O-CB 3.21Å; L175-V178 PolarHBondContact O-N 2.84Å; L175-V178 VanDerWaalsContact O-N 3.15Å; L176-V178 PolarHBondContact O-N 3.41Å
179D91Very high92.5Very high57 Ų5755.2 Ų55.231%0.30527%0.265SS..  trans-131.180.5179.1-17611000111.2F149 L175 L176 K181 N182F149-D179 HydrophobicContact CE2-CB 4.07Å; F149-D179 HydrophobicContact CZ-CB 4.11Å; L175-D179 PolarHBondContact O-N 3.49Å; L176-D179 CarbonylContact O-C 3.46Å; D179-K181 PolarHBondContact O-N 3.48Å; D179-K181 PolarHBondContact OD1-N 3.18Å; D179-N182 HydrophobicContact CB-CB 4.21Å; D179-N182 VanDerWaalsContact O-CB 3.29Å; D179-N182 WeakPolarHBondContact O-CB 3.47Å; D179-N182 PolarHBondContact O-N 3.3Å; D179-N182 VanDerWaalsContact O-N 3.15Å; D179-N182 PolarHBondContact OD1-N 3.12Å; D179-N182 VanDerWaalsContact OD2-CB 3.3Å; D179-N182 WeakPolarHBondContact OD2-CB 3.43Å; D179-N182 PolarHBondContact OD2-ND2 2.87Å
180P91.7Very high92.4Very high85 Ų8554.3 Ų54.355%0.55226%0.26SS*.THydrogen-bonded Turntrans-70-14.3-17726.3-34.9000113.2L176 N182L176-P180 WeakPolarHBondContact O-CA 3.19Å; L176-P180 WeakPolarHBondContact O-CB 3.41Å; L176-P180 WeakPolarHBondContact O-CD 3.27Å; P180-N182 VanDerWaalsContact C-N 3.31Å
181K89.3Confident92.2Very high158 Ų15850.7 Ų50.769%0.68724%0.243SC*.THydrogen-bonded Turntrans-90.42.9177.4-65.5-176.5-178.6178.40112.2D179 Y183D179-K181 PolarHBondContact O-N 3.48Å; D179-K181 PolarHBondContact OD1-N 3.18Å; K181-Y183 PolarHBondContact O-N 3.46Å
182N88.5Confident92.2Very high29 Ų2948.9 Ų48.916%0.15523%0.234CC..  trans-7691.8179.8-154.4-52.9000111.6D179 P180 R184 L185 L186D179-N182 HydrophobicContact CB-CB 4.21Å; D179-N182 VanDerWaalsContact O-CB 3.29Å; D179-N182 WeakPolarHBondContact O-CB 3.47Å; D179-N182 PolarHBondContact O-N 3.3Å; D179-N182 VanDerWaalsContact O-N 3.15Å; D179-N182 PolarHBondContact OD1-N 3.12Å; D179-N182 VanDerWaalsContact OD2-CB 3.3Å; D179-N182 WeakPolarHBondContact OD2-CB 3.43Å; D179-N182 PolarHBondContact OD2-ND2 2.87Å; P180-N182 VanDerWaalsContact C-N 3.31Å; N182-R184 PolarHBondContact O-N 3.26Å; N182-R184 WeakPolarHBondContact OD1-CB 3.29Å; N182-R184 PolarHBondContact OD1-N 3.36Å; N182-L185 HydrophobicContact CB-CB 4.11Å; N182-L185 HydrophobicContact CB-CD1 3.83Å; N182-L185 HydrophobicContact CB-CG 3.95Å; N182-L185 PolarHBondContact O-N 3.43Å; N182-L185 VanDerWaalsContact O-N 3.08Å; N182-L185 PolarHBondContact OD1-N 3.26Å; N182-L186 PolarHBondContact O-N 3.34Å
183Y88.6Confident92.3Very high45 Ų4549.2 Ų49.218%0.17624%0.236CC..Hα-helixtrans-57.2-27.3178.572.2-99.9000113K181 L186 I187 I213K181-Y183 PolarHBondContact O-N 3.46Å; Y183-L186 PolarHBondContact O-N 2.89Å; Y183-I187 HydrophobicContact CD2-CD1 4.01Å; Y183-I187 VanDerWaalsContact O-CG1 3.28Å; Y183-I187 WeakPolarHBondContact O-CG1 3.44Å; Y183-I187 PolarHBondContact O-N 3.39Å; Y183-I213 HydrophobicContact CD1-CD1 4.28Å; Y183-I213 HydrophobicContact CD1-CG1 3.65Å; Y183-I213 HydrophobicContact CD2-CD1 3.33Å; Y183-I213 HydrophobicContact CD2-CG1 3.64Å; Y183-I213 HydrophobicContact CE1-CG1 4.09Å; Y183-I213 HydrophobicContact CE2-CD1 3.66Å; Y183-I213 HydrophobicContact CE2-CG1 4.08Å; Y183-I213 HydrophobicContact CG-CD1 3.68Å; Y183-I213 HydrophobicContact CG-CG1 3.41Å; Y183-I213 VanDerWaalsContact CG-CG1 3.41Å
184R87.9Confident92.3Very high102 Ų10245.6 Ų45.639%0.38522%0.222SC..Hα-helixtrans-70.1-38.2179.9-59.5179176.7-175.4-4.2111.3N182 I187 L188 T449N182-R184 PolarHBondContact O-N 3.26Å; N182-R184 WeakPolarHBondContact OD1-CB 3.29Å; N182-R184 PolarHBondContact OD1-N 3.36Å; R184-I187 PolarHBondContact O-N 2.85Å; R184-L188 PolarHBondContact O-N 2.87Å; R184-L188 VanDerWaalsContact O-N 3.08Å; R184-T449 PolarHBondContact NH2-OG1 3.46Å
185L89.9Confident92.2Very high0 Ų043.6 Ų43.60%021%0.212CC..Hα-helixtrans-69-37.8174.3-67.2179.6000111.7F149 I172 L175 L176 N182 I187 L188 S189F149-L185 HydrophobicContact CE2-CD1 4.18Å; F149-L185 HydrophobicContact CZ-CD1 3.68Å; I172-L185 HydrophobicContact CG2-CB 4.2Å; I172-L185 WeakPolarHBondContact CG2-O 3.45Å; L175-L185 HydrophobicContact CB-CD1 3.51Å; L175-L185 HydrophobicContact CB-CD2 4.31Å; L175-L185 HydrophobicContact CD1-CD1 4.48Å; L175-L185 HydrophobicContact CD1-CD2 3.89Å; L176-L185 HydrophobicContact CD2-CB 3.6Å; L176-L185 HydrophobicContact CD2-CD1 4.28Å; L176-L185 HydrophobicContact CG-CB 3.9Å; L176-L185 HydrophobicContact CG-CD1 4.37Å; N182-L185 HydrophobicContact CB-CB 4.11Å; N182-L185 HydrophobicContact CB-CD1 3.83Å; N182-L185 HydrophobicContact CB-CG 3.95Å; N182-L185 PolarHBondContact O-N 3.43Å; N182-L185 VanDerWaalsContact O-N 3.08Å; N182-L185 PolarHBondContact OD1-N 3.26Å; L185-I187 VanDerWaalsContact C-N 3.35Å; L185-I187 PolarHBondContact O-N 3.32Å; L185-L188 PolarHBondContact O-N 2.87Å; L185-S189 WeakPolarHBondContact O-CB 3.16Å; L185-S189 PolarHBondContact O-N 3.42Å
186L93.7Very high92.3Very high13 Ų1346 Ų467%0.06822%0.224CC..Hα-helixtrans-62.3-41.5173.8-64174.1000111.8L176 N182 Y183 L188 S189 G190 E205 N208 A209 I212L176-L186 HydrophobicContact CD1-CD2 3.92Å; L176-L186 HydrophobicContact CD2-CD2 3.68Å; L176-L186 HydrophobicContact CD2-CG 3.95Å; L176-L186 HydrophobicContact CG-CD2 4.48Å; N182-L186 PolarHBondContact O-N 3.34Å; Y183-L186 PolarHBondContact O-N 2.89Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-L188 PolarHBondContact O-N 3.3Å; L186-S189 WeakPolarHBondContact O-CB 3.32Å; L186-S189 PolarHBondContact O-N 3.41Å; L186-G190 PolarHBondContact O-N 2.91Å; L186-E205 WeakPolarHBondContact CD2-OE2 3.38Å; L186-N208 HydrophobicContact CD1-CB 4.13Å; L186-A209 HydrophobicContact CB-CB 3.88Å; L186-A209 HydrophobicContact CD1-CB 4.38Å; L186-I212 HydrophobicContact CD1-CD1 3.47Å; L186-I212 VanDerWaalsContact CD1-CD1 3.47Å
187I91.2Very high92.3Very high24 Ų2452.5 Ų52.512%0.12325%0.251CS..Hα-helixtrans-59.5-46.4172.6-66.4165.3000110.6Y183 R184 L185 S189 G190 D191 A209 I239Y183-I187 HydrophobicContact CD2-CD1 4.01Å; Y183-I187 VanDerWaalsContact O-CG1 3.28Å; Y183-I187 WeakPolarHBondContact O-CG1 3.44Å; Y183-I187 PolarHBondContact O-N 3.39Å; R184-I187 PolarHBondContact O-N 2.85Å; L185-I187 VanDerWaalsContact C-N 3.35Å; L185-I187 PolarHBondContact O-N 3.32Å; I187-S189 PolarHBondContact O-N 2.68Å; I187-G190 PolarHBondContact O-N 3.5Å; I187-D191 PolarHBondContact O-N 2.88Å; I187-A209 HydrophobicContact CG1-CB 3.94Å; I187-I239 HydrophobicContact CD1-CD1 3.82Å; I187-I239 HydrophobicContact CD1-CG1 3.68Å; I187-I239 HydrophobicContact CG1-CD1 4.25Å; I187-I239 HydrophobicContact CG1-CG1 3.94Å
188L90.7Very high92.4Very high19 Ų1948 Ų4810%0.09923%0.233CC..Hα-helixtrans-65.4-39.4-178.9-163.768.9000112A156 I157 L160 I172 R184 L185 L186 D191 C192A156-L188 HydrophobicContact CB-CD2 4.34Å; I157-L188 HydrophobicContact CG1-CD1 4.15Å; I157-L188 HydrophobicContact CG1-CD2 3.67Å; L160-L188 HydrophobicContact CD1-CD1 3.53Å; L160-L188 HydrophobicContact CD1-CG 4.2Å; I172-L188 HydrophobicContact CD1-CB 3.88Å; I172-L188 HydrophobicContact CD1-CD2 3.46Å; I172-L188 VanDerWaalsContact CD1-CD2 3.46Å; I172-L188 HydrophobicContact CD1-CG 3.4Å; I172-L188 HydrophobicContact CG1-CD2 3.79Å; I172-L188 HydrophobicContact CG1-CG 4.23Å; R184-L188 PolarHBondContact O-N 2.87Å; R184-L188 VanDerWaalsContact O-N 3.08Å; L185-L188 PolarHBondContact O-N 2.87Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-L188 PolarHBondContact O-N 3.3Å; L188-D191 PolarHBondContact O-N 3.41Å; L188-C192 PolarHBondContact O-N 3.47Å; L188-C192 PolarHBondContact O-SG 3.19Å
189S94.8Very high92.7Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-59.2-47.6170.9175.50000110.9N169 L185 L186 I187 D191 C192 Q193N169-S189 PolarHBondContact OD1-OG 3.39Å; L185-S189 WeakPolarHBondContact O-CB 3.16Å; L185-S189 PolarHBondContact O-N 3.42Å; L186-S189 WeakPolarHBondContact O-CB 3.32Å; L186-S189 PolarHBondContact O-N 3.41Å; I187-S189 PolarHBondContact O-N 2.68Å; S189-D191 VanDerWaalsContact C-N 3.35Å; S189-D191 PolarHBondContact O-N 2.76Å; S189-C192 WeakPolarHBondContact O-CB 3.37Å; S189-C192 PolarHBondContact O-N 3.33Å; S189-Q193 VanDerWaalsContact O-CG 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.4Å; S189-Q193 PolarHBondContact O-N 3.43Å; S189-Q193 PolarHBondContact OG-NE2 3.25Å; S189-Q193 VanDerWaalsContact OG-NE2 3.07Å
190G94.3Very high93Very high0 Ų046.3 Ų46.30%022%0.216CC..Hα-helixtrans-60.2-41.7175.900000112.6L186 I187 Q193 Y194 S202 Y206L186-G190 PolarHBondContact O-N 2.91Å; I187-G190 PolarHBondContact O-N 3.5Å; G190-Q193 PolarHBondContact O-N 3.43Å; G190-Y194 WeakPolarHBondContact O-CB 3.31Å; G190-Y194 PolarHBondContact O-N 2.83Å; G190-S202 PolarHBondContact O-OG 2.82Å; G190-Y206 VanDerWaalsContact C-CZ 3.44Å; G190-Y206 PolarHBondContact O-OH 2.83Å; G190-Y206 VanDerWaalsContact O-OH 3.08Å
191D93Very high93.2Very high20 Ų2046.2 Ų46.211%0.10721%0.211CC..Hα-helixtrans-62.9-47177.1-74-15.9000109.9L160 I187 L188 S189 Q193 Y194 F195 Y206 R242L160-D191 HydrophobicContact CD1-CB 4.07Å; I187-D191 PolarHBondContact O-N 2.88Å; L188-D191 PolarHBondContact O-N 3.41Å; S189-D191 VanDerWaalsContact C-N 3.35Å; S189-D191 PolarHBondContact O-N 2.76Å; D191-Q193 PolarHBondContact O-N 2.89Å; D191-Y194 WeakPolarHBondContact O-CB 3.46Å; D191-Y194 PolarHBondContact O-N 3.49Å; D191-F195 WeakPolarHBondContact O-CD2 3.13Å; D191-F195 PolarHBondContact O-N 3.44Å; D191-Y206 VanDerWaalsContact CA-OH 3.28Å; D191-Y206 WeakPolarHBondContact CA-OH 3.4Å; D191-Y206 PolarHBondContact N-OH 3.47Å; D191-Y206 VanDerWaalsContact N-OH 3.13Å; D191-Y206 PolarHBondContact OD1-OH 3.33Å; D191-R242 WeakPolarHBondContact OD1-CD 3.44Å; D191-R242 IonicContact OD1-CZ 3.92Å; D191-R242 IonicContact OD1-NE 3.45Å; D191-R242 PolarHBondContact OD1-NE 3.13Å; D191-R242 IonicContact OD2-CZ 3.51Å; D191-R242 IonicContact OD2-NE 2.77Å; D191-R242 PolarHBondContact OD2-NE 3.48Å; D191-R242 IonicContact OD2-NH2 2.65Å; D191-R242 PolarHBondContact OD2-NH2 3.32Å
192C93.8Very high93.6Very high0 Ų038.7 Ų38.70%018%0.178CC..Hα-helixtrans-56.6-48.7174.2-73.50000112.1S168 N169 L188 S189 Y194 F195 M196S168-C192 PolarHBondContact OG-SG 3.27Å; N169-C192 HydrophobicContact CB-CB 3.94Å; L188-C192 PolarHBondContact O-N 3.47Å; L188-C192 PolarHBondContact O-SG 3.19Å; S189-C192 WeakPolarHBondContact O-CB 3.37Å; S189-C192 PolarHBondContact O-N 3.33Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 3.39Å; C192-F195 PolarHBondContact O-N 3.22Å; C192-M196 VanDerWaalsContact O-CG 3.26Å; C192-M196 WeakPolarHBondContact O-CG 3.49Å; C192-M196 PolarHBondContact O-N 2.85Å
193Q96.2Very high94Very high6 Ų638.1 Ų38.13%0.02818%0.175CC..Hα-helixtrans-65.5-36.2-179.7-68.5172.325.300112.5S189 G190 D191 M196 K197 N198 N201S189-Q193 VanDerWaalsContact O-CG 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.4Å; S189-Q193 PolarHBondContact O-N 3.43Å; S189-Q193 PolarHBondContact OG-NE2 3.25Å; S189-Q193 VanDerWaalsContact OG-NE2 3.07Å; G190-Q193 PolarHBondContact O-N 3.43Å; D191-Q193 PolarHBondContact O-N 2.89Å; Q193-M196 CarbonylContact O-C 3.36Å; Q193-M196 PolarHBondContact O-N 3.47Å; Q193-K197 PolarHBondContact O-N 3.19Å; Q193-K197 VanDerWaalsContact O-N 3.16Å; Q193-N198 HydrophobicContact CB-CB 4.33Å; Q193-N198 PolarHBondContact O-N 3.45Å; Q193-N201 PolarHBondContact OE1-O 2.9Å
194Y95Very high94.4Very high24 Ų2441.6 Ų41.69%0.09419%0.193CC..Hα-helixtrans-60.1-48.8174.4178.7-91.1000111.1G190 D191 C192 M196 K197 Y199 S202 Q249 M437G190-Y194 WeakPolarHBondContact O-CB 3.31Å; G190-Y194 PolarHBondContact O-N 2.83Å; D191-Y194 WeakPolarHBondContact O-CB 3.46Å; D191-Y194 PolarHBondContact O-N 3.49Å; C192-Y194 VanDerWaalsContact C-N 3.33Å; C192-Y194 PolarHBondContact O-N 3.39Å; Y194-M196 VanDerWaalsContact C-N 3.27Å; Y194-M196 PolarHBondContact O-N 3.08Å; Y194-K197 WeakPolarHBondContact O-CA 3.29Å; Y194-K197 PolarHBondContact O-N 3.46Å; Y194-Y199 AromaticContact CD2-CD1 3.76Å; Y194-Y199 HydrophobicContact CD2-CD1 3.76Å; Y194-Y199 AromaticContact CD2-CE1 3.82Å; Y194-Y199 HydrophobicContact CD2-CE1 3.82Å; Y194-Y199 AromaticContact CE2-CD1 3.96Å; Y194-Y199 HydrophobicContact CE2-CD1 3.96Å; Y194-Y199 AromaticContact CE2-CE1 3.74Å; Y194-Y199 HydrophobicContact CE2-CE1 3.74Å; Y194-Y199 HydrophobicContact CG-CE1 4.4Å; Y194-S202 WeakPolarHBondContact CB-OG 3.39Å; Y194-Q249 HydrophobicContact CE2-CG 3.92Å; Y194-M437 HydrophobicContact CD1-SD 4.35Å; Y194-M437 HydrophobicContact CE1-CE 3.67Å; Y194-M437 HydrophobicContact CE1-SD 3.61Å; Y194-M437 WeakPolarHBondContact OH-CE 3.42Å
195F93.8Very high94.7Very high64 Ų6437.4 Ų37.428%0.28118%0.178SC..Hα-helixtrans-67.4-29.1178.5-70.1-60.6000112.8L160 Y165 D191 C192 K197 M437L160-F195 HydrophobicContact CD2-CE2 4.49Å; Y165-F195 HydrophobicContact CD1-CB 3.65Å; Y165-F195 AromaticContact CD1-CD2 3.99Å; Y165-F195 HydrophobicContact CD1-CD2 3.99Å; Y165-F195 HydrophobicContact CD1-CG 4.12Å; Y165-F195 HydrophobicContact CD2-CB 3.83Å; Y165-F195 HydrophobicContact CE1-CB 3.46Å; Y165-F195 VanDerWaalsContact CE1-CB 3.46Å; Y165-F195 HydrophobicContact CE1-CD1 4.4Å; Y165-F195 AromaticContact CE1-CD2 3.55Å; Y165-F195 HydrophobicContact CE1-CD2 3.55Å; Y165-F195 HydrophobicContact CE1-CE2 4.42Å; Y165-F195 AromaticContact CE1-CG 3.56Å; Y165-F195 HydrophobicContact CE1-CG 3.56Å; Y165-F195 HydrophobicContact CE2-CB 3.64Å; Y165-F195 HydrophobicContact CE2-CG 4.4Å; Y165-F195 HydrophobicContact CG-CB 3.83Å; Y165-F195 VanDerWaalsContact CZ-CB 3.44Å; Y165-F195 AromaticContact CZ-CG 3.71Å; D191-F195 WeakPolarHBondContact O-CD2 3.13Å; D191-F195 PolarHBondContact O-N 3.44Å; C192-F195 PolarHBondContact O-N 3.22Å; F195-K197 PolarHBondContact O-N 3.01Å; F195-M437 HydrophobicContact CE1-SD 3.96Å; F195-M437 HydrophobicContact CZ-SD 4.16Å
196M95.7Very high95Very high57 Ų5737.5 Ų37.528%0.28118%0.178SC..THydrogen-bonded Turntrans-74.9-0.2169.4-66.7171.266.600114Y165 C192 Q193 Y194 N198Y165-M196 HydrophobicContact CG-CG 4.42Å; C192-M196 VanDerWaalsContact O-CG 3.26Å; C192-M196 WeakPolarHBondContact O-CG 3.49Å; C192-M196 PolarHBondContact O-N 2.85Å; Q193-M196 CarbonylContact O-C 3.36Å; Q193-M196 PolarHBondContact O-N 3.47Å; Y194-M196 VanDerWaalsContact C-N 3.27Å; Y194-M196 PolarHBondContact O-N 3.08Å; M196-N198 PolarHBondContact O-N 2.83Å
197K95.1Very high95Very high151 Ų15139.2 Ų39.266%0.65719%0.186SC*.THydrogen-bonded Turntrans6518-177.3-51.1176.6179.9170.90114.9Q193 Y194 F195 Y199Q193-K197 PolarHBondContact O-N 3.19Å; Q193-K197 VanDerWaalsContact O-N 3.16Å; Y194-K197 WeakPolarHBondContact O-CA 3.29Å; Y194-K197 PolarHBondContact O-N 3.46Å; F195-K197 PolarHBondContact O-N 3.01Å; K197-Y199 VanDerWaalsContact C-N 3.26Å; K197-Y199 HydrophobicContact CB-CE2 3.99Å; K197-Y199 WeakPolarHBondContact O-CD2 3.4Å; K197-Y199 PolarHBondContact O-N 3.5Å; K197-Y199 VanDerWaalsContact O-N 3.13Å
198N96.3Very high95.2Very high68 Ų6841.5 Ų41.536%0.36420%0.198SC..  trans-87.267.5173-66-24.3000109.3Q193 M196 E200 N201 S202Q193-N198 HydrophobicContact CB-CB 4.33Å; Q193-N198 PolarHBondContact O-N 3.45Å; M196-N198 PolarHBondContact O-N 2.83Å; N198-E200 PolarHBondContact O-N 3.43Å; N198-N201 PolarHBondContact O-N 3.43Å; N198-S202 WeakPolarHBondContact O-CB 3.19Å; N198-S202 PolarHBondContact O-N 3.27Å
199Y97Very high95.3Very high27 Ų2740.6 Ų40.611%0.10619%0.193CC..Hα-helixtrans-68.1-32.8-168.5-57-63.7000113.7Y194 K197 S202 L203 T246 Q249 N253Y194-Y199 AromaticContact CD2-CD1 3.76Å; Y194-Y199 HydrophobicContact CD2-CD1 3.76Å; Y194-Y199 AromaticContact CD2-CE1 3.82Å; Y194-Y199 HydrophobicContact CD2-CE1 3.82Å; Y194-Y199 AromaticContact CE2-CD1 3.96Å; Y194-Y199 HydrophobicContact CE2-CD1 3.96Å; Y194-Y199 AromaticContact CE2-CE1 3.74Å; Y194-Y199 HydrophobicContact CE2-CE1 3.74Å; Y194-Y199 HydrophobicContact CG-CE1 4.4Å; K197-Y199 VanDerWaalsContact C-N 3.26Å; K197-Y199 HydrophobicContact CB-CE2 3.99Å; K197-Y199 WeakPolarHBondContact O-CD2 3.4Å; K197-Y199 PolarHBondContact O-N 3.5Å; K197-Y199 VanDerWaalsContact O-N 3.13Å; Y199-S202 PolarHBondContact O-N 3.27Å; Y199-L203 WeakPolarHBondContact O-CB 3.37Å; Y199-L203 PolarHBondContact O-N 3.13Å; Y199-T246 HydrophobicContact CD1-CG2 4.45Å; Y199-T246 WeakPolarHBondContact O-CG2 3.29Å; Y199-Q249 HydrophobicContact CD1-CB 3.79Å; Y199-Q249 HydrophobicContact CD1-CG 4.25Å; Y199-Q249 HydrophobicContact CD2-CB 4.08Å; Y199-Q249 HydrophobicContact CE1-CB 3.66Å; Y199-Q249 HydrophobicContact CE1-CG 3.76Å; Y199-Q249 HydrophobicContact CE2-CB 3.94Å; Y199-Q249 HydrophobicContact CG-CB 4Å; Y199-N253 WeakPolarHBondContact CD2-ND2 3.37Å
200E96.4Very high95Very high80 Ų8042.7 Ų42.737%0.37420%0.203SC..Hα-helixtrans-60.6-51.2175.7-74.180.5-179.700111.4N198 S202 L203 E204 L250 R254N198-E200 PolarHBondContact O-N 3.43Å; E200-S202 VanDerWaalsContact C-N 3.34Å; E200-S202 PolarHBondContact O-N 3.15Å; E200-L203 WeakPolarHBondContact O-CB 3.38Å; E200-L203 PolarHBondContact O-N 3.46Å; E200-E204 PolarHBondContact O-N 3.07Å; E200-E204 VanDerWaalsContact O-N 3.16Å; E200-L250 HydrophobicContact CG-CD2 3.9Å; E200-L250 VanDerWaalsContact OE1-CD2 3.26Å; E200-L250 WeakPolarHBondContact OE1-CD2 3.43Å; E200-R254 IonicContact OE1-CZ 3.38Å; E200-R254 IonicContact OE1-NH2 3.7Å; E200-R254 PolarHBondContact OE1-NH2 3Å
201N96.8Very high94.9Very high84 Ų8445 Ų4545%0.44922%0.219SC..Hα-helixtrans-66.3-40.5178.9-59.9-8.9000110.5Q193 N198 L203 E204 E205Q193-N201 PolarHBondContact OE1-O 2.9Å; N198-N201 PolarHBondContact O-N 3.43Å; N201-L203 VanDerWaalsContact C-N 3.28Å; N201-L203 PolarHBondContact O-N 3.31Å; N201-E204 WeakPolarHBondContact O-CB 3.34Å; N201-E204 PolarHBondContact O-N 3.26Å; N201-E204 VanDerWaalsContact O-N 3.13Å; N201-E205 WeakPolarHBondContact O-CG 3.32Å; N201-E205 PolarHBondContact O-N 2.87Å
202S96.3Very high94.7Very high0 Ų045.6 Ų45.60%022%0.222CC..Hα-helixtrans-57.9-42.7177.3-177.70000111.8G190 Y194 N198 Y199 E200 E205 Y206G190-S202 PolarHBondContact O-OG 2.82Å; Y194-S202 WeakPolarHBondContact CB-OG 3.39Å; N198-S202 WeakPolarHBondContact O-CB 3.19Å; N198-S202 PolarHBondContact O-N 3.27Å; Y199-S202 PolarHBondContact O-N 3.27Å; E200-S202 VanDerWaalsContact C-N 3.34Å; E200-S202 PolarHBondContact O-N 3.15Å; S202-E205 PolarHBondContact O-N 3.29Å; S202-Y206 WeakPolarHBondContact O-CD2 3.46Å; S202-Y206 VanDerWaalsContact O-CG 3.3Å; S202-Y206 PolarHBondContact O-N 3.33Å; S202-Y206 VanDerWaalsContact O-N 3.09Å; S202-Y206 WeakPolarHBondContact OG-CE2 3.46Å; S202-Y206 PolarHBondContact OG-OH 3.48Å
203L97.5Very high94.2Very high16 Ų1645.8 Ų45.88%0.08422%0.223CC..Hα-helixtrans-62.8-43.3176.2-179.962.4000112Y199 E200 N201 Y206 E207 I243 T246 L250 Y266Y199-L203 WeakPolarHBondContact O-CB 3.37Å; Y199-L203 PolarHBondContact O-N 3.13Å; E200-L203 WeakPolarHBondContact O-CB 3.38Å; E200-L203 PolarHBondContact O-N 3.46Å; N201-L203 VanDerWaalsContact C-N 3.28Å; N201-L203 PolarHBondContact O-N 3.31Å; L203-Y206 PolarHBondContact O-N 2.99Å; L203-E207 HydrophobicContact CD1-CG 4.38Å; L203-E207 WeakPolarHBondContact O-CG 3.39Å; L203-E207 PolarHBondContact O-N 3.45Å; L203-I243 HydrophobicContact CD1-CB 4.48Å; L203-I243 HydrophobicContact CD1-CG2 3.78Å; L203-T246 HydrophobicContact CB-CG2 3.91Å; L203-L250 HydrophobicContact CB-CD1 4.28Å; L203-L250 HydrophobicContact CD2-CD1 3.7Å; L203-Y266 HydrophobicContact CD2-CE1 3.92Å
204E96.8Very high93.6Very high118 Ų11847.7 Ų47.755%0.55124%0.236SC*.Hα-helixtrans-60.1-46177.2-172.9-178.8173.300111.6E200 N201 Y206 E207 N208E200-E204 PolarHBondContact O-N 3.07Å; E200-E204 VanDerWaalsContact O-N 3.16Å; N201-E204 WeakPolarHBondContact O-CB 3.34Å; N201-E204 PolarHBondContact O-N 3.26Å; N201-E204 VanDerWaalsContact O-N 3.13Å; E204-Y206 PolarHBondContact O-N 2.9Å; E204-E207 PolarHBondContact O-N 3.43Å; E204-N208 WeakPolarHBondContact O-CB 3.28Å; E204-N208 VanDerWaalsContact O-CG 3.24Å; E204-N208 PolarHBondContact O-N 2.96Å; E204-N208 PolarHBondContact O-ND2 3.32Å
205E95.3Very high93Very high14 Ų1452.5 Ų52.57%0.06526%0.258CS..Hα-helixtrans-61.1-43.8177.9-66-66.9175.700112.3R173 L186 N201 S202 E207 N208 A209R173-E205 IonicContact CZ-OE1 2.76Å; R173-E205 IonicContact NH1-OE1 3.68Å; R173-E205 PolarHBondContact NH1-OE1 3.49Å; R173-E205 IonicContact NH2-OE1 3.48Å; R173-E205 PolarHBondContact NH2-OE1 3.34Å; L186-E205 WeakPolarHBondContact CD2-OE2 3.38Å; N201-E205 WeakPolarHBondContact O-CG 3.32Å; N201-E205 PolarHBondContact O-N 2.87Å; S202-E205 PolarHBondContact O-N 3.29Å; E205-E207 PolarHBondContact O-N 2.71Å; E205-N208 PolarHBondContact O-N 3.39Å; E205-A209 WeakPolarHBondContact O-CB 3.42Å; E205-A209 PolarHBondContact O-N 2.99Å
206Y95Very high92.3Very high2 Ų254 Ų541%0.00827%0.266CS..Hα-helixtrans-66.1-37.3176.9-61.9-40.1000113G190 D191 S202 L203 E204 A209 K210 R242 I243 T246G190-Y206 VanDerWaalsContact C-CZ 3.44Å; G190-Y206 PolarHBondContact O-OH 2.83Å; G190-Y206 VanDerWaalsContact O-OH 3.08Å; D191-Y206 VanDerWaalsContact CA-OH 3.28Å; D191-Y206 WeakPolarHBondContact CA-OH 3.4Å; D191-Y206 PolarHBondContact N-OH 3.47Å; D191-Y206 VanDerWaalsContact N-OH 3.13Å; D191-Y206 PolarHBondContact OD1-OH 3.33Å; S202-Y206 WeakPolarHBondContact O-CD2 3.46Å; S202-Y206 VanDerWaalsContact O-CG 3.3Å; S202-Y206 PolarHBondContact O-N 3.33Å; S202-Y206 VanDerWaalsContact O-N 3.09Å; S202-Y206 WeakPolarHBondContact OG-CE2 3.46Å; S202-Y206 PolarHBondContact OG-OH 3.48Å; L203-Y206 PolarHBondContact O-N 2.99Å; E204-Y206 PolarHBondContact O-N 2.9Å; Y206-A209 PolarHBondContact O-N 3.43Å; Y206-K210 WeakPolarHBondContact O-CB 3.49Å; Y206-K210 PolarHBondContact O-N 2.84Å; Y206-R242 HydrophobicContact CD1-CB 4.18Å; Y206-R242 HydrophobicContact CD2-CB 3.97Å; Y206-R242 HydrophobicContact CE1-CB 4.01Å; Y206-R242 HydrophobicContact CE1-CG 4.29Å; Y206-R242 HydrophobicContact CE2-CB 3.79Å; Y206-R242 HydrophobicContact CG-CB 4.17Å; Y206-I243 HydrophobicContact CG-CG1 4.45Å; Y206-T246 VanDerWaalsContact CE2-OG1 3.3Å; Y206-T246 WeakPolarHBondContact CE2-OG1 3.23Å
207E94.8Very high91.1Very high50 Ų5053.9 Ų53.923%0.23427%0.266CS..Hα-helixtrans-69.3-38.4176.1-73.9-58.2156.300112.1L203 E204 E205 K210 S211 I243 R269L203-E207 HydrophobicContact CD1-CG 4.38Å; L203-E207 WeakPolarHBondContact O-CG 3.39Å; L203-E207 PolarHBondContact O-N 3.45Å; E204-E207 PolarHBondContact O-N 3.43Å; E205-E207 PolarHBondContact O-N 2.71Å; E207-K210 PolarHBondContact O-N 3.48Å; E207-S211 VanDerWaalsContact O-CB 3.29Å; E207-S211 WeakPolarHBondContact O-CB 3.37Å; E207-S211 PolarHBondContact O-N 2.92Å; E207-I243 WeakPolarHBondContact OE1-CD1 3.33Å; E207-R269 VanDerWaalsContact CG-NH2 3.31Å; E207-R269 IonicContact OE1-CZ 2.68Å; E207-R269 IonicContact OE1-NE 3.58Å; E207-R269 IonicContact OE1-NH2 3.32Å; E207-R269 PolarHBondContact OE1-NH2 2.94Å; E207-R269 IonicContact OE2-NH2 3.98Å
208N95Very high89.8Confident71 Ų7151.1 Ų51.138%0.3826%0.262SS..Hα-helixtrans-61.4-45.1171.8-71.8-22000111L186 E204 E205 K210 S211 I212L186-N208 HydrophobicContact CD1-CB 4.13Å; E204-N208 WeakPolarHBondContact O-CB 3.28Å; E204-N208 VanDerWaalsContact O-CG 3.24Å; E204-N208 PolarHBondContact O-N 2.96Å; E204-N208 PolarHBondContact O-ND2 3.32Å; E205-N208 PolarHBondContact O-N 3.39Å; N208-K210 PolarHBondContact O-N 3.09Å; N208-S211 PolarHBondContact O-N 3.18Å; N208-I212 WeakPolarHBondContact O-CG1 3.33Å; N208-I212 PolarHBondContact O-N 2.79Å; N208-I212 VanDerWaalsContact O-N 3.08Å
209A92.1Very high88.2Confident0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-60.1-45.917500000112.1L186 I187 E205 Y206 I212 I213 I239L186-A209 HydrophobicContact CB-CB 3.88Å; L186-A209 HydrophobicContact CD1-CB 4.38Å; I187-A209 HydrophobicContact CG1-CB 3.94Å; E205-A209 WeakPolarHBondContact O-CB 3.42Å; E205-A209 PolarHBondContact O-N 2.99Å; Y206-A209 PolarHBondContact O-N 3.43Å; A209-I212 PolarHBondContact O-N 3.17Å; A209-I213 WeakPolarHBondContact O-CG1 3.32Å; A209-I213 PolarHBondContact O-N 3.04Å; A209-I239 HydrophobicContact CB-CD1 4.34Å
210K89.2Confident86.4Confident44 Ų4455.7 Ų55.719%0.19129%0.293CS..Hα-helixtrans-61.1-46.2177.5-176.5174.5173.9173.20111.6Y206 E207 N208 I212 I213 S214 I239 N240 I243Y206-K210 WeakPolarHBondContact O-CB 3.49Å; Y206-K210 PolarHBondContact O-N 2.84Å; E207-K210 PolarHBondContact O-N 3.48Å; N208-K210 PolarHBondContact O-N 3.09Å; K210-I212 VanDerWaalsContact C-N 3.32Å; K210-I212 PolarHBondContact O-N 3.39Å; K210-I213 PolarHBondContact O-N 3.11Å; K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 3.17Å; K210-S214 PolarHBondContact O-OG 3.39Å; K210-S214 VanDerWaalsContact O-OG 3.09Å; K210-I239 HydrophobicContact CB-CG2 3.99Å; K210-N240 WeakPolarHBondContact CE-OD1 3.39Å; K210-N240 PolarHBondContact NZ-OD1 3.03Å; K210-I243 HydrophobicContact CD-CD1 3.79Å
211S91.2Very high84Confident49 Ų4959 Ų5934%0.34331%0.313SS..Hα-helixtrans-56.7-43.3176.9171.50000112E207 N208 K215E207-S211 VanDerWaalsContact O-CB 3.29Å; E207-S211 WeakPolarHBondContact O-CB 3.37Å; E207-S211 PolarHBondContact O-N 2.92Å; N208-S211 PolarHBondContact O-N 3.18Å; S211-K215 VanDerWaalsContact O-CG 3.28Å; S211-K215 WeakPolarHBondContact O-CG 3.36Å; S211-K215 PolarHBondContact O-N 3.47Å
212I89Confident81.6Confident33 Ų3362 Ų6217%0.16932%0.324CS..Hα-helixtrans-65.6-47.8177-67.8165.3000111.5L186 N208 A209 K210 S214 K215 Q216L186-I212 HydrophobicContact CD1-CD1 3.47Å; L186-I212 VanDerWaalsContact CD1-CD1 3.47Å; N208-I212 WeakPolarHBondContact O-CG1 3.33Å; N208-I212 PolarHBondContact O-N 2.79Å; N208-I212 VanDerWaalsContact O-N 3.08Å; A209-I212 PolarHBondContact O-N 3.17Å; K210-I212 VanDerWaalsContact C-N 3.32Å; K210-I212 PolarHBondContact O-N 3.39Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 3.26Å; I212-K215 PolarHBondContact O-N 3.42Å; I212-Q216 HydrophobicContact CG2-CG 4.5Å; I212-Q216 WeakPolarHBondContact O-CG 3.47Å; I212-Q216 PolarHBondContact O-N 3.48Å
213I83.7Confident79.2Confident4 Ų464.2 Ų64.22%0.02134%0.339CS..Hα-helixtrans-63.2-43.8179.5-66.9174.2000110.8Y183 A209 K210 K215 Q216 L217 I236 I239Y183-I213 HydrophobicContact CD1-CD1 4.28Å; Y183-I213 HydrophobicContact CD1-CG1 3.65Å; Y183-I213 HydrophobicContact CD2-CD1 3.33Å; Y183-I213 HydrophobicContact CD2-CG1 3.64Å; Y183-I213 HydrophobicContact CE1-CG1 4.09Å; Y183-I213 HydrophobicContact CE2-CD1 3.66Å; Y183-I213 HydrophobicContact CE2-CG1 4.08Å; Y183-I213 HydrophobicContact CG-CD1 3.68Å; Y183-I213 HydrophobicContact CG-CG1 3.41Å; Y183-I213 VanDerWaalsContact CG-CG1 3.41Å; A209-I213 WeakPolarHBondContact O-CG1 3.32Å; A209-I213 PolarHBondContact O-N 3.04Å; K210-I213 PolarHBondContact O-N 3.11Å; I213-K215 VanDerWaalsContact C-N 3.3Å; I213-K215 PolarHBondContact O-N 3.38Å; I213-Q216 PolarHBondContact O-N 3.09Å; I213-L217 HydrophobicContact CG2-CD1 3.71Å; I213-L217 HydrophobicContact CG2-CG 4.31Å; I213-L217 VanDerWaalsContact O-CG 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.2Å; I213-I236 HydrophobicContact CG2-CD1 4.17Å; I213-I236 HydrophobicContact CG2-CG1 3.7Å; I213-I239 HydrophobicContact CD1-CD1 3.19Å; I213-I239 HydrophobicContact CG1-CD1 4.47Å
214S83.2Confident76.8Confident45 Ų4566.9 Ų66.932%0.31535%0.353SS..Hα-helixtrans-58.5-42.7176.8-69.10000111.4K210 I212 L217 T218K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 3.17Å; K210-S214 PolarHBondContact O-OG 3.39Å; K210-S214 VanDerWaalsContact O-OG 3.09Å; I212-S214 VanDerWaalsContact C-N 3.35Å; I212-S214 PolarHBondContact O-N 3.26Å; S214-L217 PolarHBondContact O-N 2.87Å; S214-T218 WeakPolarHBondContact O-CG2 3.47Å; S214-T218 PolarHBondContact O-N 3.08Å; S214-T218 PolarHBondContact O-OG1 3.33Å
215K83.5Confident74.5Confident126 Ų12663.4 Ų63.455%0.54834%0.341SS..Hα-helixtrans-63.5-45.5174.8-72.6172.9-174.6-179.90112.5S211 I212 I213 L217 T218 D219S211-K215 VanDerWaalsContact O-CG 3.28Å; S211-K215 WeakPolarHBondContact O-CG 3.36Å; S211-K215 PolarHBondContact O-N 3.47Å; I212-K215 PolarHBondContact O-N 3.42Å; I213-K215 VanDerWaalsContact C-N 3.3Å; I213-K215 PolarHBondContact O-N 3.38Å; K215-L217 VanDerWaalsContact C-N 3.25Å; K215-L217 PolarHBondContact O-N 3.49Å; K215-T218 WeakPolarHBondContact CA-OG1 3.42Å; K215-T218 PolarHBondContact O-N 3.11Å; K215-T218 PolarHBondContact O-OG1 3.17Å; K215-D219 PolarHBondContact O-N 2.86Å
216Q77.5Confident71.8Confident96 Ų9668.7 Ų68.745%0.44937%0.37SS..Hα-helixtrans-59.7-37.3176.9-72.9176.2-8.100112.2I212 I213 S220I212-Q216 HydrophobicContact CG2-CG 4.5Å; I212-Q216 WeakPolarHBondContact O-CG 3.47Å; I212-Q216 PolarHBondContact O-N 3.48Å; I213-Q216 PolarHBondContact O-N 3.09Å; Q216-S220 PolarHBondContact O-N 3.2Å
217L71.8Confident69.2Low54 Ų5475.4 Ų75.428%0.28341%0.406SS..Hα-helixtrans-72.5-40.3176.5-70.3164.2000112.3I213 S214 K215 D219 S220 P233 I236I213-L217 HydrophobicContact CG2-CD1 3.71Å; I213-L217 HydrophobicContact CG2-CG 4.31Å; I213-L217 VanDerWaalsContact O-CG 3.3Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.2Å; S214-L217 PolarHBondContact O-N 2.87Å; K215-L217 VanDerWaalsContact C-N 3.25Å; K215-L217 PolarHBondContact O-N 3.49Å; L217-D219 VanDerWaalsContact C-N 3.34Å; L217-S220 PolarHBondContact O-N 2.83Å; L217-S220 PolarHBondContact O-OG 3.27Å; L217-P233 HydrophobicContact CD1-CB 4.37Å; L217-P233 HydrophobicContact CD1-CG 3.77Å; L217-P233 HydrophobicContact CD2-CG 4.21Å; L217-I236 HydrophobicContact CD1-CD1 3.36Å; L217-I236 HydrophobicContact CD1-CG1 4.12Å
218T68.1Low66.7Low93 Ų9377.2 Ų77.257%0.57142%0.417SS*.Hα-helixtrans-64.2-40176.550.70000112S214 K215 S220 N221S214-T218 WeakPolarHBondContact O-CG2 3.47Å; S214-T218 PolarHBondContact O-N 3.08Å; S214-T218 PolarHBondContact O-OG1 3.33Å; K215-T218 WeakPolarHBondContact CA-OG1 3.42Å; K215-T218 PolarHBondContact O-N 3.11Å; K215-T218 PolarHBondContact O-OG1 3.17Å; T218-S220 PolarHBondContact O-N 3.05Å; T218-N221 PolarHBondContact O-N 3.49Å; T218-N221 VanDerWaalsContact O-N 3.14Å
219D62.8Low64.3Low130 Ų13077.6 Ų77.670%0.69542%0.418SS*.Hα-helixtrans-65.2-29.3178.9-65.3-15.4000111.8K215 L217 N221K215-D219 PolarHBondContact O-N 2.86Å; L217-D219 VanDerWaalsContact C-N 3.34Å; D219-N221 PolarHBondContact O-N 3.37Å; D219-N221 VanDerWaalsContact O-N 3.13Å
220S57.7Low62.2Low61 Ų6181.3 Ų81.343%0.42744%0.436SS..THydrogen-bonded Turntrans-72.86.1175.578.10000115.1Q216 L217 T218 H222Q216-S220 PolarHBondContact O-N 3.2Å; L217-S220 PolarHBondContact O-N 2.83Å; L217-S220 PolarHBondContact O-OG 3.27Å; T218-S220 PolarHBondContact O-N 3.05Å; S220-H222 PolarHBondContact O-N 3.08Å; S220-H222 PolarHBondContact O-ND1 3.06Å
221N47.3Very low60.5Low148 Ų14886.1 Ų86.179%0.79146%0.457SS*.THydrogen-bonded Turntrans53.515.7177.6-85.2-23.4000115.9T218 D219 C223T218-N221 PolarHBondContact O-N 3.49Å; T218-N221 VanDerWaalsContact O-N 3.14Å; D219-N221 PolarHBondContact O-N 3.37Å; D219-N221 VanDerWaalsContact O-N 3.13Å; N221-C223 PolarHBondContact O-N 3.19Å; N221-C223 VanDerWaalsContact O-N 3.07Å
222H45.7Very low59.1Low147 Ų14786.2 Ų86.268%0.68145%0.453SS*.  trans-79.592.6169.3-84.368.4000108.7S220 I224S220-H222 PolarHBondContact O-N 3.08Å; S220-H222 PolarHBondContact O-ND1 3.06Å; H222-I224 PolarHBondContact O-N 3.07Å
223C46Very low58.1Low48 Ų4886.3 Ų86.332%0.32446%0.456SS..  trans-57.4117.2153.1-166.10000107N221 C225 N226N221-C223 PolarHBondContact O-N 3.19Å; N221-C223 VanDerWaalsContact O-N 3.07Å; C223-C225 HydrophobicContact CB-CB 4.36Å; C223-C225 WeakPolarHBondContact CB-SG 3.46Å; C223-C225 PolarHBondContact O-N 3.5Å; C223-C225 WeakPolarHBondContact SG-CB 3.41Å; C223-C225 PolarHBondContact SG-N 3.04Å; C223-C225 CovalentContact SG-SG 2.03Å; C223-C225 PolarHBondContact SG-SG 3.33Å; C223-N226 PolarHBondContact O-N 3.03Å
224I47.7Very low57.5Low72 Ų7292.6 Ų92.637%0.36949%0.485SS..THydrogen-bonded Turntrans-61.6-5.7172.5-44.5170.4000110.3H222 M230 K231H222-I224 PolarHBondContact O-N 3.07Å; I224-M230 HydrophobicContact CG2-CG 4.09Å; I224-K231 WeakPolarHBondContact CG2-O 3.44Å
225C47Very low56.9Low45 Ų4592.3 Ų92.330%0.30448%0.483SS..THydrogen-bonded Turntrans-80.4-8.7173.568.80000115.3C223 N227C223-C225 HydrophobicContact CB-CB 4.36Å; C223-C225 WeakPolarHBondContact CB-SG 3.46Å; C223-C225 PolarHBondContact O-N 3.5Å; C223-C225 WeakPolarHBondContact SG-CB 3.41Å; C223-C225 PolarHBondContact SG-N 3.04Å; C223-C225 CovalentContact SG-SG 2.03Å; C223-C225 PolarHBondContact SG-SG 3.33Å; C225-N227 PolarHBondContact O-N 3.42Å
226N38.6Very low56.7Low124 Ų12487.1 Ų87.166%0.66346%0.461SS*.THydrogen-bonded Turntrans-68.1120.2176.7-93.4-4.2000110.5C223C223-N226 PolarHBondContact O-N 3.03Å
227N42.1Very low56.7Low144 Ų14484.8 Ų84.877%0.7745%0.452SS*.THydrogen-bonded Turntrans68.141.6-178.3-63.7-15.6000116.8C225 M229C225-N227 PolarHBondContact O-N 3.42Å; N227-M229 PolarHBondContact O-N 3.39Å
228N42.5Very low57.1Low87 Ų8783.8 Ų83.847%0.46545%0.449SS..SBendtrans58.117.4162.6-62.5-34.6000117.5P402N228-P402 HydrophobicContact CB-CG 3.67Å; N228-P402 WeakPolarHBondContact ND2-CB 3.29Å; N228-P402 WeakPolarHBondContact ND2-CG 3.22Å; N228-P402 VanDerWaalsContact OD1-CG 3.23Å; N228-P402 WeakPolarHBondContact OD1-CG 3.28Å
229M43.7Very low58Low80 Ų8079.3 Ų79.339%0.39442%0.422SS..  trans-130.4100.7-180-67-114.492.600109.6N227 K231 H420N227-M229 PolarHBondContact O-N 3.39Å; M229-K231 PolarHBondContact O-N 3.23Å; M229-H420 VanDerWaalsContact CE-NE2 3.32Å; M229-H420 WeakPolarHBondContact CE-NE2 3.4Å
230M48.2Very low59.1Low77 Ų7773.8 Ų73.838%0.37939%0.392SS..  trans-72.876.9173.5-161.3-175.7171.700109.5I224 I232 N383I224-M230 HydrophobicContact CG2-CG 4.09Å; M230-I232 PolarHBondContact O-N 2.95Å; M230-N383 HydrophobicContact CE-CB 4.09Å; M230-N383 HydrophobicContact SD-CB 4.23Å
231K52.2Low60.5Low146 Ų14671.1 Ų71.164%0.63537%0.374SS*.  trans-81.4109.8171.9-74-170.9178.9-177.80108.8I224 M229 P233I224-K231 WeakPolarHBondContact CG2-O 3.44Å; M229-K231 PolarHBondContact O-N 3.23Å; K231-P233 WeakPolarHBondContact O-CD 3.39Å
232I62.4Low62.5Low50 Ų5064.8 Ų64.826%0.25634%0.339SS..  trans-61.6126170.1-58.8172.7000107.3M230 E234 I236 N237M230-I232 PolarHBondContact O-N 2.95Å; I232-E234 PolarHBondContact O-N 3.1Å; I232-I236 HydrophobicContact CG2-CB 3.78Å; I232-I236 HydrophobicContact CG2-CG2 3.57Å; I232-N237 HydrophobicContact CG2-CB 4.2Å
233P67.9Low64.7Low36 Ų3657.8 Ų57.823%0.23431%0.307CS..  trans-52.8138173.2-27.836.2000110.7L217 K231 S235 I236 N237L217-P233 HydrophobicContact CD1-CB 4.37Å; L217-P233 HydrophobicContact CD1-CG 3.77Å; L217-P233 HydrophobicContact CD2-CG 4.21Å; K231-P233 WeakPolarHBondContact O-CD 3.39Å; P233-S235 PolarHBondContact O-N 2.97Å; P233-S235 VanDerWaalsContact O-N 3.1Å; P233-I236 HydrophobicContact CB-CG1 4.48Å; P233-I236 HydrophobicContact CG-CD1 4.27Å; P233-I236 PolarHBondContact O-N 3.42Å; P233-N237 PolarHBondContact O-N 3.38Å
234E70.8Confident66.9Low135 Ų13555.5 Ų55.563%0.63129%0.291SS*.Hα-helixtrans-54.3-34.8-177.6-173.1179.7177.400112.1I232 N237 S238I232-E234 PolarHBondContact O-N 3.1Å; E234-N237 PolarHBondContact O-N 3.32Å; E234-S238 WeakPolarHBondContact O-CB 3.35Å; E234-S238 PolarHBondContact O-N 3.28Å
235S72.4Confident69.1Low39 Ų3952.4 Ų52.427%0.27328%0.275SS..Hα-helixtrans-61.1-47174.455.20000113P233 N237 S238 I239P233-S235 PolarHBondContact O-N 2.97Å; P233-S235 VanDerWaalsContact O-N 3.1Å; S235-N237 VanDerWaalsContact C-N 3.34Å; S235-S238 PolarHBondContact O-N 3.47Å; S235-I239 PolarHBondContact O-N 3.12Å; S235-I239 VanDerWaalsContact O-N 3.13Å
236I79.3Confident71.3Confident18 Ų1850.2 Ų50.29%0.09226%0.261CS..Hα-helixtrans-65.3-41.5175.9-69.1-177.9000110I213 L217 I232 P233 S238 I239 N240I213-I236 HydrophobicContact CG2-CD1 4.17Å; I213-I236 HydrophobicContact CG2-CG1 3.7Å; L217-I236 HydrophobicContact CD1-CD1 3.36Å; L217-I236 HydrophobicContact CD1-CG1 4.12Å; I232-I236 HydrophobicContact CG2-CB 3.78Å; I232-I236 HydrophobicContact CG2-CG2 3.57Å; P233-I236 HydrophobicContact CB-CG1 4.48Å; P233-I236 HydrophobicContact CG-CD1 4.27Å; P233-I236 PolarHBondContact O-N 3.42Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 3.39Å; I236-I239 PolarHBondContact O-N 3.45Å; I236-N240 WeakPolarHBondContact O-CB 3.41Å; I236-N240 VanDerWaalsContact O-CG 3.27Å; I236-N240 PolarHBondContact O-N 3.26Å
237N77Confident74.1Confident47 Ų4744.3 Ų44.325%0.25123%0.229SC..Hα-helixtrans-62.3-42.7179.3-164.342.7000111.6I232 P233 E234 S235 I239 N240 G241 F423I232-N237 HydrophobicContact CG2-CB 4.2Å; P233-N237 PolarHBondContact O-N 3.38Å; E234-N237 PolarHBondContact O-N 3.32Å; S235-N237 VanDerWaalsContact C-N 3.34Å; N237-I239 VanDerWaalsContact C-N 3.34Å; N237-I239 PolarHBondContact O-N 3.03Å; N237-N240 PolarHBondContact O-N 3.33Å; N237-G241 PolarHBondContact O-N 2.89Å; N237-F423 WeakPolarHBondContact OD1-CD1 3.46Å; N237-F423 WeakPolarHBondContact OD1-CE1 3.23Å
238S80.4Confident76.6Confident32 Ų3238.3 Ų38.322%0.22420%0.196CC..Hα-helixtrans-61.6-38.9176.2-166.10000112.6E234 S235 I236 R242E234-S238 WeakPolarHBondContact O-CB 3.35Å; E234-S238 PolarHBondContact O-N 3.28Å; S235-S238 PolarHBondContact O-N 3.47Å; I236-S238 VanDerWaalsContact C-N 3.33Å; I236-S238 PolarHBondContact O-N 3.39Å; S238-R242 PolarHBondContact O-N 3.02Å; S238-R242 PolarHBondContact O-NH1 2.82Å; S238-R242 VanDerWaalsContact O-NH1 3.15Å; S238-R242 PolarHBondContact OG-NH1 3.06Å
239I85.7Confident79.1Confident0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-72.3-41.8174.5-70.1159.1000111.6I187 A209 K210 I213 S235 I236 N237 G241 R242 I243I187-I239 HydrophobicContact CD1-CD1 3.82Å; I187-I239 HydrophobicContact CD1-CG1 3.68Å; I187-I239 HydrophobicContact CG1-CD1 4.25Å; I187-I239 HydrophobicContact CG1-CG1 3.94Å; A209-I239 HydrophobicContact CB-CD1 4.34Å; K210-I239 HydrophobicContact CB-CG2 3.99Å; I213-I239 HydrophobicContact CD1-CD1 3.19Å; I213-I239 HydrophobicContact CG1-CD1 4.47Å; S235-I239 PolarHBondContact O-N 3.12Å; S235-I239 VanDerWaalsContact O-N 3.13Å; I236-I239 PolarHBondContact O-N 3.45Å; N237-I239 VanDerWaalsContact C-N 3.34Å; N237-I239 PolarHBondContact O-N 3.03Å; I239-G241 PolarHBondContact O-N 3.47Å; I239-R242 WeakPolarHBondContact O-CA 3.14Å; I239-R242 WeakPolarHBondContact O-CB 3.5Å; I239-R242 PolarHBondContact O-N 3.21Å; I239-I243 HydrophobicContact CG2-CD1 3.49Å; I239-I243 VanDerWaalsContact CG2-CD1 3.49Å; I239-I243 HydrophobicContact CG2-CG1 4.06Å; I239-I243 WeakPolarHBondContact O-CG1 3.38Å; I239-I243 PolarHBondContact O-N 3.21Å
240N86.3Confident81.7Confident14 Ų1432.4 Ų32.48%0.07517%0.165CC..Hα-helixtrans-57.3-38.2175.4-77-18.3000111.2K210 I236 N237 I243 C244 L273K210-N240 WeakPolarHBondContact CE-OD1 3.39Å; K210-N240 PolarHBondContact NZ-OD1 3.03Å; I236-N240 WeakPolarHBondContact O-CB 3.41Å; I236-N240 VanDerWaalsContact O-CG 3.27Å; I236-N240 PolarHBondContact O-N 3.26Å; N237-N240 PolarHBondContact O-N 3.33Å; N240-I243 PolarHBondContact O-N 3.16Å; N240-C244 WeakPolarHBondContact O-CB 3.16Å; N240-C244 PolarHBondContact O-N 3.48Å; N240-L273 HydrophobicContact CB-CD2 4Å
241G87.4Confident84Confident4 Ų428.8 Ų28.84%0.04115%0.146CC..Hα-helixtrans-60-44.6172.300000113.3N237 I239 C244 L245N237-G241 PolarHBondContact O-N 2.89Å; I239-G241 PolarHBondContact O-N 3.47Å; G241-C244 PolarHBondContact O-N 3.32Å; G241-L245 WeakPolarHBondContact O-CG 3.3Å; G241-L245 PolarHBondContact O-N 2.81Å
242R89.3Confident86Confident16 Ų1625.3 Ų25.36%0.0613%0.132CC..Hα-helixtrans-65.4-45.3176.6-70.7176.6171.577.7-4.3112.9D191 Y206 S238 I239 C244 L245 T246 F439D191-R242 WeakPolarHBondContact OD1-CD 3.44Å; D191-R242 IonicContact OD1-CZ 3.92Å; D191-R242 IonicContact OD1-NE 3.45Å; D191-R242 PolarHBondContact OD1-NE 3.13Å; D191-R242 IonicContact OD2-CZ 3.51Å; D191-R242 IonicContact OD2-NE 2.77Å; D191-R242 PolarHBondContact OD2-NE 3.48Å; D191-R242 IonicContact OD2-NH2 2.65Å; D191-R242 PolarHBondContact OD2-NH2 3.32Å; Y206-R242 HydrophobicContact CD1-CB 4.18Å; Y206-R242 HydrophobicContact CD2-CB 3.97Å; Y206-R242 HydrophobicContact CE1-CB 4.01Å; Y206-R242 HydrophobicContact CE1-CG 4.29Å; Y206-R242 HydrophobicContact CE2-CB 3.79Å; Y206-R242 HydrophobicContact CG-CB 4.17Å; S238-R242 PolarHBondContact O-N 3.02Å; S238-R242 PolarHBondContact O-NH1 2.82Å; S238-R242 VanDerWaalsContact O-NH1 3.15Å; S238-R242 PolarHBondContact OG-NH1 3.06Å; I239-R242 WeakPolarHBondContact O-CA 3.14Å; I239-R242 WeakPolarHBondContact O-CB 3.5Å; I239-R242 PolarHBondContact O-N 3.21Å; R242-C244 VanDerWaalsContact C-N 3.3Å; R242-C244 PolarHBondContact O-N 2.76Å; R242-L245 PolarHBondContact O-N 3.08Å; R242-T246 WeakPolarHBondContact O-CB 3.48Å; R242-T246 PolarHBondContact O-N 3.01Å; R242-T246 PolarHBondContact O-OG1 3.34Å; R242-F439 HydrophobicContact CB-CE1 4.31Å; R242-F439 HydrophobicContact CB-CZ 4.38Å; R242-F439 HydrophobicContact CG-CD1 3.98Å; R242-F439 HydrophobicContact CG-CE1 3.41Å; R242-F439 VanDerWaalsContact CG-CE1 3.41Å; R242-F439 HydrophobicContact CG-CE2 4.41Å; R242-F439 HydrophobicContact CG-CZ 3.62Å
243I92.9Very high87.6Confident0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-58.4-46.3174.9-67.7160.3000109.7L203 Y206 E207 K210 I239 N240 T246 C247 L273L203-I243 HydrophobicContact CD1-CB 4.48Å; L203-I243 HydrophobicContact CD1-CG2 3.78Å; Y206-I243 HydrophobicContact CG-CG1 4.45Å; E207-I243 WeakPolarHBondContact OE1-CD1 3.33Å; K210-I243 HydrophobicContact CD-CD1 3.79Å; I239-I243 HydrophobicContact CG2-CD1 3.49Å; I239-I243 VanDerWaalsContact CG2-CD1 3.49Å; I239-I243 HydrophobicContact CG2-CG1 4.06Å; I239-I243 WeakPolarHBondContact O-CG1 3.38Å; I239-I243 PolarHBondContact O-N 3.21Å; N240-I243 PolarHBondContact O-N 3.16Å; I243-T246 PolarHBondContact O-N 3.42Å; I243-C247 WeakPolarHBondContact O-CB 3.04Å; I243-C247 PolarHBondContact O-N 3.38Å; I243-C247 PolarHBondContact O-SG 2.81Å; I243-L273 HydrophobicContact CB-CD1 3.98Å; I243-L273 HydrophobicContact CG2-CD1 3.56Å
244C92.3Very high89Confident0 Ų026.1 Ų26.10%013%0.13CC..Hα-helixtrans-61.1-47.5-178.8-172.50000111.7N240 G241 R242 T246 C247 Y248 C270 L273 F280 L425N240-C244 WeakPolarHBondContact O-CB 3.16Å; N240-C244 PolarHBondContact O-N 3.48Å; G241-C244 PolarHBondContact O-N 3.32Å; R242-C244 VanDerWaalsContact C-N 3.3Å; R242-C244 PolarHBondContact O-N 2.76Å; C244-T246 PolarHBondContact O-N 3.48Å; C244-C247 PolarHBondContact O-N 2.9Å; C244-Y248 WeakPolarHBondContact O-CB 3.29Å; C244-Y248 PolarHBondContact O-N 2.93Å; C244-C270 PolarHBondContact O-SG 3.14Å; C244-C270 VanDerWaalsContact SG-CA 3.59Å; C244-L273 HydrophobicContact CB-CB 4.14Å; C244-L273 HydrophobicContact CB-CD1 3.97Å; C244-F280 VanDerWaalsContact SG-CE2 3.56Å; C244-F280 WeakPolarHBondContact SG-CZ 3.5Å; C244-L425 HydrophobicContact CB-CD1 4.13Å; C244-L425 WeakPolarHBondContact SG-CD1 3.39Å
245L92Very high90.1Very high6 Ų621.5 Ų21.53%0.03111%0.109CC..Hα-helixtrans-64-40.2177-74.2167.1000112.4G241 R242 Y248 Q249 L425 F426 M437 F439G241-L245 WeakPolarHBondContact O-CG 3.3Å; G241-L245 PolarHBondContact O-N 2.81Å; R242-L245 PolarHBondContact O-N 3.08Å; L245-Y248 PolarHBondContact O-N 3.17Å; L245-Q249 WeakPolarHBondContact O-CG 3.3Å; L245-Q249 PolarHBondContact O-N 3.09Å; L245-L425 HydrophobicContact CD1-CD2 3.87Å; L245-L425 HydrophobicContact CD2-CB 4.42Å; L245-L425 HydrophobicContact CD2-CD2 4.26Å; L245-L425 HydrophobicContact CG-CD2 3.74Å; L245-F426 HydrophobicContact CD2-CD1 4.36Å; L245-F426 HydrophobicContact CD2-CE1 3.66Å; L245-F426 HydrophobicContact CD2-CZ 4.2Å; L245-M437 HydrophobicContact CD1-CE 3.64Å; L245-M437 HydrophobicContact CG-CE 4.5Å; L245-F439 HydrophobicContact CD1-CE1 3.84Å; L245-F439 HydrophobicContact CD1-CE2 3.97Å; L245-F439 HydrophobicContact CD1-CZ 3.21Å; L245-F439 HydrophobicContact CG-CZ 4.48Å
246T95Very high91.2Very high0 Ų027.6 Ų27.60%013%0.131CC..Hα-helixtrans-65.9-44.7177.8-53.80000111.6Y199 L203 Y206 R242 I243 C244 Y248 Q249 L250Y199-T246 HydrophobicContact CD1-CG2 4.45Å; Y199-T246 WeakPolarHBondContact O-CG2 3.29Å; L203-T246 HydrophobicContact CB-CG2 3.91Å; Y206-T246 VanDerWaalsContact CE2-OG1 3.3Å; Y206-T246 WeakPolarHBondContact CE2-OG1 3.23Å; R242-T246 WeakPolarHBondContact O-CB 3.48Å; R242-T246 PolarHBondContact O-N 3.01Å; R242-T246 PolarHBondContact O-OG1 3.34Å; I243-T246 PolarHBondContact O-N 3.42Å; C244-T246 PolarHBondContact O-N 3.48Å; T246-Y248 VanDerWaalsContact C-N 3.25Å; T246-Y248 PolarHBondContact O-N 3.45Å; T246-Q249 PolarHBondContact O-N 2.95Å; T246-L250 HydrophobicContact CG2-CD1 4.3Å; T246-L250 WeakPolarHBondContact O-CG 3.43Å; T246-L250 PolarHBondContact O-N 3.48Å
247C96.2Very high92Very high0 Ų032.5 Ų32.50%015%0.153CC..Hα-helixtrans-59.7-37.6173.4-68.70000111.5I243 C244 L250 S251 Y266 R269 C270I243-C247 WeakPolarHBondContact O-CB 3.04Å; I243-C247 PolarHBondContact O-N 3.38Å; I243-C247 PolarHBondContact O-SG 2.81Å; C244-C247 PolarHBondContact O-N 2.9Å; C247-L250 PolarHBondContact O-N 3.05Å; C247-S251 WeakPolarHBondContact O-CB 3.33Å; C247-S251 PolarHBondContact O-N 2.95Å; C247-Y266 HydrophobicContact CB-CD1 4.13Å; C247-Y266 WeakPolarHBondContact O-CB 3.48Å; C247-R269 VanDerWaalsContact SG-CD 3.6Å; C247-C270 VanDerWaalsContact CB-SG 3.51Å
248Y95.6Very high92.8Very high17 Ų1733.7 Ų33.77%0.06717%0.166CC..Hα-helixtrans-69.1-35.4177.3-175.3-130.8000112.9C244 L245 T246 S251 K252 L267 C270 F280 T283 F426C244-Y248 WeakPolarHBondContact O-CB 3.29Å; C244-Y248 PolarHBondContact O-N 2.93Å; L245-Y248 PolarHBondContact O-N 3.17Å; T246-Y248 VanDerWaalsContact C-N 3.25Å; T246-Y248 PolarHBondContact O-N 3.45Å; Y248-S251 PolarHBondContact O-OG 3.36Å; Y248-K252 VanDerWaalsContact CE1-CE 3.44Å; Y248-K252 WeakPolarHBondContact O-CG 3.13Å; Y248-K252 PolarHBondContact O-N 3.46Å; Y248-K252 WeakPolarHBondContact OH-CE 3.33Å; Y248-L267 HydrophobicContact CD2-CD2 4.1Å; Y248-L267 HydrophobicContact CE2-CD2 4.37Å; Y248-C270 PolarHBondContact N-SG 3.13Å; Y248-C270 VanDerWaalsContact N-SG 3.42Å; Y248-F280 HydrophobicContact CD1-CE1 4.1Å; Y248-F280 AromaticContact CD2-CD1 3.8Å; Y248-F280 HydrophobicContact CD2-CD1 3.8Å; Y248-F280 AromaticContact CD2-CE1 3.84Å; Y248-F280 HydrophobicContact CD2-CE1 3.84Å; Y248-F280 HydrophobicContact CE1-CE1 4.49Å; Y248-F280 HydrophobicContact CE2-CD1 4.04Å; Y248-F280 HydrophobicContact CE2-CE1 4.31Å; Y248-F280 HydrophobicContact CG-CD1 4.2Å; Y248-F280 AromaticContact CG-CE1 3.74Å; Y248-F280 HydrophobicContact CG-CE1 3.74Å; Y248-T283 HydrophobicContact CE2-CG2 4.37Å; Y248-F426 HydrophobicContact CD1-CZ 4.29Å; Y248-F426 HydrophobicContact CE1-CZ 4.17Å
249Q95.1Very high93.5Very high44 Ų4434 Ų3421%0.20616%0.164CC..Hα-helixtrans-69.3-41.1172-63-58.6-18.400111.8Y194 Y199 L245 T246 S251 K252 N253Y194-Q249 HydrophobicContact CE2-CG 3.92Å; Y199-Q249 HydrophobicContact CD1-CB 3.79Å; Y199-Q249 HydrophobicContact CD1-CG 4.25Å; Y199-Q249 HydrophobicContact CD2-CB 4.08Å; Y199-Q249 HydrophobicContact CE1-CB 3.66Å; Y199-Q249 HydrophobicContact CE1-CG 3.76Å; Y199-Q249 HydrophobicContact CE2-CB 3.94Å; Y199-Q249 HydrophobicContact CG-CB 4Å; L245-Q249 WeakPolarHBondContact O-CG 3.3Å; L245-Q249 PolarHBondContact O-N 3.09Å; T246-Q249 PolarHBondContact O-N 2.95Å; Q249-S251 VanDerWaalsContact C-N 3.35Å; Q249-S251 PolarHBondContact O-N 3.26Å; Q249-K252 PolarHBondContact O-N 2.92Å; Q249-N253 PolarHBondContact O-N 2.95Å
250L97Very high93.9Very high0 Ų037.2 Ų37.20%018%0.177CC..Hα-helixtrans-60-44.5174.2-74.8167.6000111.5E200 L203 T246 C247 K252 N253 R254 Y266E200-L250 HydrophobicContact CG-CD2 3.9Å; E200-L250 VanDerWaalsContact OE1-CD2 3.26Å; E200-L250 WeakPolarHBondContact OE1-CD2 3.43Å; L203-L250 HydrophobicContact CB-CD1 4.28Å; L203-L250 HydrophobicContact CD2-CD1 3.7Å; T246-L250 HydrophobicContact CG2-CD1 4.3Å; T246-L250 WeakPolarHBondContact O-CG 3.43Å; T246-L250 PolarHBondContact O-N 3.48Å; C247-L250 PolarHBondContact O-N 3.05Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.4Å; L250-N253 WeakPolarHBondContact O-CB 3.38Å; L250-N253 PolarHBondContact O-N 3.28Å; L250-N253 VanDerWaalsContact O-N 3.12Å; L250-R254 WeakPolarHBondContact O-CG 3.47Å; L250-R254 PolarHBondContact O-N 3.2Å; L250-Y266 HydrophobicContact CB-CD1 4.16Å; L250-Y266 HydrophobicContact CB-CD2 3.93Å; L250-Y266 HydrophobicContact CB-CE1 4.12Å; L250-Y266 HydrophobicContact CB-CE2 3.89Å; L250-Y266 HydrophobicContact CB-CG 4.09Å; L250-Y266 HydrophobicContact CD1-CD1 4.25Å; L250-Y266 HydrophobicContact CD1-CE1 3.65Å; L250-Y266 HydrophobicContact CG-CE1 4.48Å
251S96.6Very high94.3Very high0 Ų040.1 Ų40.10%020%0.198CC..Hα-helixtrans-60.9-42.8177.675.20000111.5C247 Y248 Q249 N253 R254 I255C247-S251 WeakPolarHBondContact O-CB 3.33Å; C247-S251 PolarHBondContact O-N 2.95Å; Y248-S251 PolarHBondContact O-OG 3.36Å; Q249-S251 VanDerWaalsContact C-N 3.35Å; Q249-S251 PolarHBondContact O-N 3.26Å; S251-N253 VanDerWaalsContact C-N 3.33Å; S251-N253 PolarHBondContact O-N 3.43Å; S251-R254 PolarHBondContact O-N 3.43Å; S251-I255 WeakPolarHBondContact O-CB 3.45Å; S251-I255 WeakPolarHBondContact O-CG1 3.31Å; S251-I255 PolarHBondContact O-N 3.46Å
252K94.8Very high94.6Very high74 Ų7443 Ų4332%0.32221%0.213SC..Hα-helixtrans-59.7-40.7173.3-73.5178.9179.4-179.70112.8Y248 Q249 L250 I255 K256Y248-K252 VanDerWaalsContact CE1-CE 3.44Å; Y248-K252 WeakPolarHBondContact O-CG 3.13Å; Y248-K252 PolarHBondContact O-N 3.46Å; Y248-K252 WeakPolarHBondContact OH-CE 3.33Å; Q249-K252 PolarHBondContact O-N 2.92Å; L250-K252 VanDerWaalsContact C-N 3.33Å; L250-K252 PolarHBondContact O-N 3.4Å; K252-I255 PolarHBondContact O-N 2.93Å; K252-K256 WeakPolarHBondContact O-CG 3.36Å; K252-K256 PolarHBondContact O-N 2.86Å; K252-K256 VanDerWaalsContact O-N 3.11Å
253N95.9Very high95Very high46 Ų4642.2 Ų42.225%0.24621%0.21CC..Hα-helixtrans-65.6-41.9176.4-72.2-11.7000111.7Y199 Q249 L250 S251 K256 Q257Y199-N253 WeakPolarHBondContact CD2-ND2 3.37Å; Q249-N253 PolarHBondContact O-N 2.95Å; L250-N253 WeakPolarHBondContact O-CB 3.38Å; L250-N253 PolarHBondContact O-N 3.28Å; L250-N253 VanDerWaalsContact O-N 3.12Å; S251-N253 VanDerWaalsContact C-N 3.33Å; S251-N253 PolarHBondContact O-N 3.43Å; N253-K256 WeakPolarHBondContact O-CB 3.32Å; N253-K256 PolarHBondContact O-N 3.15Å; N253-Q257 WeakPolarHBondContact O-CG 3.42Å; N253-Q257 PolarHBondContact O-N 2.97Å; N253-Q257 VanDerWaalsContact O-N 3.16Å
254R96.4Very high95.1Very high56 Ų5643.5 Ų43.521%0.21122%0.216CC..Hα-helixtrans-67.1-37.2176.2-61.9-60.1166.7-173.8-1.7112.5E200 L250 S251 K256 Q257 S258 D259 N262 A263 Y266E200-R254 IonicContact OE1-CZ 3.38Å; E200-R254 IonicContact OE1-NH2 3.7Å; E200-R254 PolarHBondContact OE1-NH2 3Å; L250-R254 WeakPolarHBondContact O-CG 3.47Å; L250-R254 PolarHBondContact O-N 3.2Å; S251-R254 PolarHBondContact O-N 3.43Å; R254-K256 VanDerWaalsContact C-N 3.34Å; R254-K256 PolarHBondContact O-N 3.15Å; R254-Q257 CarbonylContact O-C 3.55Å; R254-Q257 WeakPolarHBondContact O-CA 3.48Å; R254-Q257 WeakPolarHBondContact O-CB 3.48Å; R254-Q257 PolarHBondContact O-N 3.21Å; R254-S258 PolarHBondContact O-N 2.88Å; R254-S258 VanDerWaalsContact O-N 3.08Å; R254-D259 HydrophobicContact CB-CB 4.23Å; R254-D259 PolarHBondContact O-N 2.89Å; R254-N262 HydrophobicContact CG-CB 4.15Å; R254-A263 HydrophobicContact CB-CB 4.06Å; R254-Y266 HydrophobicContact CG-CD2 4.29Å; R254-Y266 HydrophobicContact CG-CE2 4.09Å
255I95.3Very high95.3Very high39 Ų3948.1 Ų48.120%0.224%0.241CC..Hα-helixtrans-58.3-45.5171.8-72.3166.8000111S251 K252 Q257 S258 W260 A263 T283 V287S251-I255 WeakPolarHBondContact O-CB 3.45Å; S251-I255 WeakPolarHBondContact O-CG1 3.31Å; S251-I255 PolarHBondContact O-N 3.46Å; K252-I255 PolarHBondContact O-N 2.93Å; I255-Q257 PolarHBondContact O-N 3.32Å; I255-S258 PolarHBondContact O-N 2.98Å; I255-W260 HydrophobicContact CB-CZ3 4.46Å; I255-W260 HydrophobicContact CG1-CZ3 4.5Å; I255-W260 HydrophobicContact CG2-CZ3 4.13Å; I255-A263 HydrophobicContact CD1-CB 4.48Å; I255-A263 HydrophobicContact CG1-CB 3.73Å; I255-T283 HydrophobicContact CD1-CG2 3.58Å; I255-V287 HydrophobicContact CD1-CG2 3.53Å; I255-V287 HydrophobicContact CG1-CG2 3.62Å
256K94.5Very high95.5Very high167 Ų16750.1 Ų50.173%0.72625%0.248SC*.Hα-helixtrans-61.9-30.8175.5-70.5172.5-178.5176.30112.5K252 N253 R254 S258K252-K256 WeakPolarHBondContact O-CG 3.36Å; K252-K256 PolarHBondContact O-N 2.86Å; K252-K256 VanDerWaalsContact O-N 3.11Å; N253-K256 WeakPolarHBondContact O-CB 3.32Å; N253-K256 PolarHBondContact O-N 3.15Å; R254-K256 VanDerWaalsContact C-N 3.34Å; R254-K256 PolarHBondContact O-N 3.15Å; K256-S258 VanDerWaalsContact C-N 3.28Å
257Q95.5Very high95.5Very high120 Ų12050.1 Ų50.156%0.56125%0.248SC*.THydrogen-bonded Turntrans-84.21.6175.6-66.5171.5-6.200113.3N253 R254 I255 D259N253-Q257 WeakPolarHBondContact O-CG 3.42Å; N253-Q257 PolarHBondContact O-N 2.97Å; N253-Q257 VanDerWaalsContact O-N 3.16Å; R254-Q257 CarbonylContact O-C 3.55Å; R254-Q257 WeakPolarHBondContact O-CA 3.48Å; R254-Q257 WeakPolarHBondContact O-CB 3.48Å; R254-Q257 PolarHBondContact O-N 3.21Å; I255-Q257 PolarHBondContact O-N 3.32Å; Q257-D259 PolarHBondContact O-N 3.47Å
258S93.8Very high95.4Very high73 Ų7352.2 Ų52.251%0.5126%0.26SS..THydrogen-bonded Turntrans57.521.3-172.6-510000114.5R254 I255 K256 W260R254-S258 PolarHBondContact O-N 2.88Å; R254-S258 VanDerWaalsContact O-N 3.08Å; I255-S258 PolarHBondContact O-N 2.98Å; K256-S258 VanDerWaalsContact C-N 3.28Å; S258-W260 PolarHBondContact O-N 3.44Å; S258-W260 VanDerWaalsContact O-N 3.15Å; S258-W260 PolarHBondContact O-NE1 3.06Å
259D95.1Very high95.2Very high37 Ų3755.4 Ų55.420%0.19827%0.272CS..  trans-86.481.1174-178.8-4.3000109.6R254 Q257 S261 N262 A263R254-D259 HydrophobicContact CB-CB 4.23Å; R254-D259 PolarHBondContact O-N 2.89Å; Q257-D259 PolarHBondContact O-N 3.47Å; D259-S261 PolarHBondContact OD1-OG 3.21Å; D259-N262 PolarHBondContact OD1-N 3.26Å; D259-N262 VanDerWaalsContact OD1-N 3.16Å; D259-N262 PolarHBondContact OD1-ND2 2.76Å; D259-N262 WeakPolarHBondContact OD2-CB 3.4Å; D259-N262 PolarHBondContact OD2-ND2 2.98Å; D259-A263 WeakPolarHBondContact O-CB 3.28Å; D259-A263 PolarHBondContact O-N 3.41Å; D259-A263 VanDerWaalsContact O-N 3.14Å
260W95.2Very high95.1Very high68 Ų6853.3 Ų53.326%0.25826%0.262SS..Hα-helixtrans-65.4-38.5-174.8-48.8122.8000112.8I255 S258 A263 I264 V287 Q290I255-W260 HydrophobicContact CB-CZ3 4.46Å; I255-W260 HydrophobicContact CG1-CZ3 4.5Å; I255-W260 HydrophobicContact CG2-CZ3 4.13Å; S258-W260 PolarHBondContact O-N 3.44Å; S258-W260 VanDerWaalsContact O-N 3.15Å; S258-W260 PolarHBondContact O-NE1 3.06Å; W260-A263 PolarHBondContact O-N 3.16Å; W260-I264 WeakPolarHBondContact O-CD1 3.5Å; W260-I264 VanDerWaalsContact O-CG1 3.27Å; W260-I264 WeakPolarHBondContact O-CG1 3.45Å; W260-I264 PolarHBondContact O-N 2.95Å; W260-V287 HydrophobicContact CB-CG1 4.1Å; W260-V287 HydrophobicContact CE3-CG1 3.94Å; W260-V287 HydrophobicContact CE3-CG2 4.46Å; W260-Q290 HydrophobicContact CD2-CB 4.46Å; W260-Q290 HydrophobicContact CH2-CB 4.25Å; W260-Q290 HydrophobicContact CH2-CG 4.42Å; W260-Q290 HydrophobicContact CZ2-CB 4.19Å; W260-Q290 HydrophobicContact CZ3-CB 4.42Å
261S94.7Very high94.8Very high75 Ų7553.6 Ų53.652%0.52426%0.264SS..Hα-helixtrans-59.5-52.7-179.731.50000112.1D259 I264 N265D259-S261 PolarHBondContact OD1-OG 3.21Å; S261-I264 PolarHBondContact O-N 3.16Å; S261-N265 PolarHBondContact O-N 2.91Å; S261-N265 VanDerWaalsContact O-N 3.11Å; S261-N265 PolarHBondContact O-ND2 3.32Å
262N94.6Very high94.3Very high65 Ų6557 Ų5735%0.34828%0.277SS..Hα-helixtrans-72.1-33.6-178.8-71.8-37.2000111.7R254 D259 I264 N265 Y266R254-N262 HydrophobicContact CG-CB 4.15Å; D259-N262 PolarHBondContact OD1-N 3.26Å; D259-N262 VanDerWaalsContact OD1-N 3.16Å; D259-N262 PolarHBondContact OD1-ND2 2.76Å; D259-N262 WeakPolarHBondContact OD2-CB 3.4Å; D259-N262 PolarHBondContact OD2-ND2 2.98Å; N262-I264 VanDerWaalsContact C-N 3.34Å; N262-I264 PolarHBondContact O-N 2.79Å; N262-N265 PolarHBondContact O-N 2.85Å; N262-Y266 HydrophobicContact CB-CE2 4.47Å; N262-Y266 WeakPolarHBondContact O-CD2 3.44Å; N262-Y266 PolarHBondContact O-N 3.42Å
263A96Very high93.9Very high0 Ų053.9 Ų53.90%026%0.264CS..Hα-helixtrans-57.6-45.6172.300000112.2R254 I255 D259 W260 Y266 L267 V287R254-A263 HydrophobicContact CB-CB 4.06Å; I255-A263 HydrophobicContact CD1-CB 4.48Å; I255-A263 HydrophobicContact CG1-CB 3.73Å; D259-A263 WeakPolarHBondContact O-CB 3.28Å; D259-A263 PolarHBondContact O-N 3.41Å; D259-A263 VanDerWaalsContact O-N 3.14Å; W260-A263 PolarHBondContact O-N 3.16Å; A263-Y266 PolarHBondContact O-N 3.43Å; A263-L267 VanDerWaalsContact O-CG 3.28Å; A263-L267 WeakPolarHBondContact O-CG 3.25Å; A263-L267 PolarHBondContact O-N 2.82Å; A263-V287 HydrophobicContact CB-CG1 4.4Å
264I96Very high93.4Very high27 Ų2751.8 Ų51.814%0.13825%0.253CS..Hα-helixtrans-62.6-45.7176.3-67.9163000110.6W260 S261 N262 Y266 L267 D268 V287W260-I264 WeakPolarHBondContact O-CD1 3.5Å; W260-I264 VanDerWaalsContact O-CG1 3.27Å; W260-I264 WeakPolarHBondContact O-CG1 3.45Å; W260-I264 PolarHBondContact O-N 2.95Å; S261-I264 PolarHBondContact O-N 3.16Å; N262-I264 VanDerWaalsContact C-N 3.34Å; N262-I264 PolarHBondContact O-N 2.79Å; I264-Y266 VanDerWaalsContact C-N 3.32Å; I264-Y266 PolarHBondContact O-N 3.47Å; I264-L267 PolarHBondContact O-N 3Å; I264-L267 VanDerWaalsContact O-N 3.1Å; I264-D268 WeakPolarHBondContact O-CB 3.48Å; I264-D268 PolarHBondContact O-N 3.11Å; I264-V287 HydrophobicContact CD1-CG1 3.95Å; I264-V287 HydrophobicContact CG1-CB 4.46Å; I264-V287 HydrophobicContact CG1-CG1 3.58Å
265N95.4Very high93Very high97 Ų9749.2 Ų49.252%0.51924%0.243SC..Hα-helixtrans-57.7-42.9179.4-70.4-23000112.5S261 N262 R269S261-N265 PolarHBondContact O-N 2.91Å; S261-N265 VanDerWaalsContact O-N 3.11Å; S261-N265 PolarHBondContact O-ND2 3.32Å; N262-N265 PolarHBondContact O-N 2.85Å; N265-R269 PolarHBondContact O-N 2.65Å
266Y96.5Very high92.6Very high47 Ų4748.4 Ų48.418%0.18424%0.238CC..Hα-helixtrans-67.8-39.5175.5-73.4-59.8000112.5L203 C247 L250 R254 N262 A263 I264 R269 C270L203-Y266 HydrophobicContact CD2-CE1 3.92Å; C247-Y266 HydrophobicContact CB-CD1 4.13Å; C247-Y266 WeakPolarHBondContact O-CB 3.48Å; L250-Y266 HydrophobicContact CB-CD1 4.16Å; L250-Y266 HydrophobicContact CB-CD2 3.93Å; L250-Y266 HydrophobicContact CB-CE1 4.12Å; L250-Y266 HydrophobicContact CB-CE2 3.89Å; L250-Y266 HydrophobicContact CB-CG 4.09Å; L250-Y266 HydrophobicContact CD1-CD1 4.25Å; L250-Y266 HydrophobicContact CD1-CE1 3.65Å; L250-Y266 HydrophobicContact CG-CE1 4.48Å; R254-Y266 HydrophobicContact CG-CD2 4.29Å; R254-Y266 HydrophobicContact CG-CE2 4.09Å; N262-Y266 HydrophobicContact CB-CE2 4.47Å; N262-Y266 WeakPolarHBondContact O-CD2 3.44Å; N262-Y266 PolarHBondContact O-N 3.42Å; A263-Y266 PolarHBondContact O-N 3.43Å; I264-Y266 VanDerWaalsContact C-N 3.32Å; I264-Y266 PolarHBondContact O-N 3.47Å; Y266-R269 WeakPolarHBondContact O-CB 3.13Å; Y266-R269 PolarHBondContact O-N 3.36Å; Y266-C270 PolarHBondContact O-N 3.3Å; Y266-C270 PolarHBondContact O-SG 3Å
267L96Very high92.4Very high0 Ų041.4 Ų41.40%021%0.208CC..Hα-helixtrans-66.8-38.9177-72.1166000112.3Y248 A263 I264 R269 C270 I271 T283 R284 V287Y248-L267 HydrophobicContact CD2-CD2 4.1Å; Y248-L267 HydrophobicContact CE2-CD2 4.37Å; A263-L267 VanDerWaalsContact O-CG 3.28Å; A263-L267 WeakPolarHBondContact O-CG 3.25Å; A263-L267 PolarHBondContact O-N 2.82Å; I264-L267 PolarHBondContact O-N 3Å; I264-L267 VanDerWaalsContact O-N 3.1Å; L267-R269 VanDerWaalsContact C-N 3.25Å; L267-R269 PolarHBondContact O-N 2.73Å; L267-C270 WeakPolarHBondContact O-CB 3.37Å; L267-C270 PolarHBondContact O-N 3.1Å; L267-C270 VanDerWaalsContact O-N 3.15Å; L267-I271 WeakPolarHBondContact O-CG1 3.37Å; L267-I271 PolarHBondContact O-N 2.97Å; L267-T283 HydrophobicContact CD1-CG2 4.01Å; L267-T283 HydrophobicContact CD2-CG2 4.06Å; L267-R284 HydrophobicContact CB-CB 4.32Å; L267-R284 HydrophobicContact CB-CG 4.36Å; L267-R284 HydrophobicContact CD1-CB 3.9Å; L267-R284 HydrophobicContact CD1-CG 4.25Å; L267-V287 HydrophobicContact CD1-CG2 4.38Å
268D93.2Very high92.1Very high45 Ų4536.1 Ų36.124%0.24118%0.184CC..Hα-helixtrans-59.3-40.7173.3-81.5-0.5000110.7I264 I271 Y272 R284I264-D268 WeakPolarHBondContact O-CB 3.48Å; I264-D268 PolarHBondContact O-N 3.11Å; D268-I271 PolarHBondContact O-N 3.39Å; D268-Y272 WeakPolarHBondContact O-CB 3.28Å; D268-Y272 PolarHBondContact O-N 3.12Å; D268-R284 WeakPolarHBondContact OD1-CD 3.27Å; D268-R284 IonicContact OD1-CZ 3.74Å; D268-R284 IonicContact OD1-NE 2.99Å; D268-R284 IonicContact OD1-NH1 3.97Å; D268-R284 PolarHBondContact OD1-NH1 3.47Å
269R92.6Very high92Very high83 Ų8335.4 Ų35.431%0.31317%0.173SC..Hα-helixtrans-66-40.6173.9-168172.3-179.1171.811.8112.6E207 C247 N265 Y266 L267 Y272 L273E207-R269 VanDerWaalsContact CG-NH2 3.31Å; E207-R269 IonicContact OE1-CZ 2.68Å; E207-R269 IonicContact OE1-NE 3.58Å; E207-R269 IonicContact OE1-NH2 3.32Å; E207-R269 PolarHBondContact OE1-NH2 2.94Å; E207-R269 IonicContact OE2-NH2 3.98Å; C247-R269 VanDerWaalsContact SG-CD 3.6Å; N265-R269 PolarHBondContact O-N 2.65Å; Y266-R269 WeakPolarHBondContact O-CB 3.13Å; Y266-R269 PolarHBondContact O-N 3.36Å; L267-R269 VanDerWaalsContact C-N 3.25Å; L267-R269 PolarHBondContact O-N 2.73Å; R269-Y272 PolarHBondContact O-N 3.21Å; R269-L273 HydrophobicContact CG-CD1 4.42Å; R269-L273 WeakPolarHBondContact O-CG 3.45Å; R269-L273 PolarHBondContact O-N 3.24Å; R269-L273 VanDerWaalsContact O-N 3.1Å
270C92.4Very high92Very high0 Ų033.6 Ų33.60%016%0.163CC..Hα-helixtrans-60-46.2173.7-65.60000111.7C244 C247 Y248 Y266 L267 Y272 L273 A274 F280C244-C270 PolarHBondContact O-SG 3.14Å; C244-C270 VanDerWaalsContact SG-CA 3.59Å; C247-C270 VanDerWaalsContact CB-SG 3.51Å; Y248-C270 PolarHBondContact N-SG 3.13Å; Y248-C270 VanDerWaalsContact N-SG 3.42Å; Y266-C270 PolarHBondContact O-N 3.3Å; Y266-C270 PolarHBondContact O-SG 3Å; L267-C270 WeakPolarHBondContact O-CB 3.37Å; L267-C270 PolarHBondContact O-N 3.1Å; L267-C270 VanDerWaalsContact O-N 3.15Å; C270-Y272 VanDerWaalsContact C-N 3.34Å; C270-L273 PolarHBondContact O-N 3.03Å; C270-A274 PolarHBondContact O-N 3.35Å; C270-F280 HydrophobicContact CB-CD1 4Å; C270-F280 HydrophobicContact CB-CD2 3.82Å; C270-F280 HydrophobicContact CB-CE1 4.07Å; C270-F280 HydrophobicContact CB-CE2 3.88Å; C270-F280 HydrophobicContact CB-CG 3.89Å; C270-F280 HydrophobicContact CB-CZ 4.02Å
271I91.1Very high91.9Very high7 Ų730.4 Ų30.44%0.03615%0.151CC..Hα-helixtrans-66.3-38.1179.9-70.9165.6000111.1L267 D268 L273 A274 P275 F280 Y281 R284L267-I271 WeakPolarHBondContact O-CG1 3.37Å; L267-I271 PolarHBondContact O-N 2.97Å; D268-I271 PolarHBondContact O-N 3.39Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 2.81Å; I271-A274 CarbonylContact O-C 3.56Å; I271-P275 WeakPolarHBondContact O-CA 3.48Å; I271-P275 WeakPolarHBondContact O-CB 3.46Å; I271-P275 WeakPolarHBondContact O-CD 3.4Å; I271-P275 VanDerWaalsContact O-N 3.16Å; I271-F280 HydrophobicContact CD1-CB 4.14Å; I271-F280 HydrophobicContact CG1-CB 3.63Å; I271-F280 HydrophobicContact CG1-CD2 4.39Å; I271-F280 HydrophobicContact CG1-CG 4.44Å; I271-Y281 HydrophobicContact CD1-CD1 3.9Å; I271-Y281 HydrophobicContact CD1-CE1 3.85Å; I271-Y281 HydrophobicContact CD1-CG 4.48Å; I271-Y281 HydrophobicContact CG1-CE1 4.15Å; I271-Y281 HydrophobicContact CG2-CE1 3.88Å; I271-Y281 WeakPolarHBondContact CG2-OH 3.39Å; I271-R284 VanDerWaalsContact CD1-NH1 3.25Å
272Y86.4Confident91.9Very high70 Ų7028.3 Ų28.328%0.27513%0.133SC..Hα-helixtrans-59.7-42.7173.6174.3-94000111.9D268 R269 C270 I379 E382 N383D268-Y272 WeakPolarHBondContact O-CB 3.28Å; D268-Y272 PolarHBondContact O-N 3.12Å; R269-Y272 PolarHBondContact O-N 3.21Å; C270-Y272 VanDerWaalsContact C-N 3.34Å; Y272-I379 HydrophobicContact CD2-CB 4.43Å; Y272-I379 HydrophobicContact CD2-CG1 4.07Å; Y272-I379 HydrophobicContact CD2-CG2 4.1Å; Y272-I379 HydrophobicContact CE2-CG2 4.1Å; Y272-E382 WeakPolarHBondContact CD2-OE2 3.41Å; Y272-E382 HydrophobicContact CE2-CB 4.14Å; Y272-E382 WeakPolarHBondContact CE2-OE2 3.37Å; Y272-N383 PolarHBondContact OH-OD1 3.41Å
273L85.7Confident91.9Very high10 Ų1025.9 Ų25.95%0.05212%0.121CC..Hα-helixtrans-78.5-38.4-178.4-65.9173.4000113.2N240 I243 C244 R269 C270 I271 F423N240-L273 HydrophobicContact CB-CD2 4Å; I243-L273 HydrophobicContact CB-CD1 3.98Å; I243-L273 HydrophobicContact CG2-CD1 3.56Å; C244-L273 HydrophobicContact CB-CB 4.14Å; C244-L273 HydrophobicContact CB-CD1 3.97Å; R269-L273 HydrophobicContact CG-CD1 4.42Å; R269-L273 WeakPolarHBondContact O-CG 3.45Å; R269-L273 PolarHBondContact O-N 3.24Å; R269-L273 VanDerWaalsContact O-N 3.1Å; C270-L273 PolarHBondContact O-N 3.03Å; I271-L273 VanDerWaalsContact C-N 3.31Å; I271-L273 PolarHBondContact O-N 2.81Å; L273-F423 VanDerWaalsContact O-CE1 3.26Å; L273-F423 WeakPolarHBondContact O-CE1 3.24Å
274A85.8Confident91.9Very high2 Ų226.7 Ų26.72%0.01712%0.124CC..  trans-139.377.5-175.800000110.5C270 I271 F276 Q277 F280 F423 L425C270-A274 PolarHBondContact O-N 3.35Å; I271-A274 CarbonylContact O-C 3.56Å; A274-F276 VanDerWaalsContact C-N 3.25Å; A274-F276 PolarHBondContact O-N 3.31Å; A274-Q277 HydrophobicContact CB-CG 3.86Å; A274-Q277 PolarHBondContact O-N 2.93Å; A274-F280 HydrophobicContact CB-CE2 4.02Å; A274-F423 HydrophobicContact CB-CE1 4.27Å; A274-F423 HydrophobicContact CB-CE2 4.1Å; A274-F423 HydrophobicContact CB-CZ 3.77Å; A274-L425 HydrophobicContact CB-CD1 3.88Å
275P86.8Confident91.8Very high1 Ų125.4 Ų25.41%0.00612%0.117CC..THydrogen-bonded Turntrans-73.1-11-170.626.4-34.8000115.1I271 Y281 L376 I379I271-P275 WeakPolarHBondContact O-CA 3.48Å; I271-P275 WeakPolarHBondContact O-CB 3.46Å; I271-P275 WeakPolarHBondContact O-CD 3.4Å; I271-P275 VanDerWaalsContact O-N 3.16Å; P275-Y281 WeakPolarHBondContact O-CE2 3.27Å; P275-Y281 PolarHBondContact O-OH 3.07Å; P275-L376 HydrophobicContact CB-CD2 3.53Å; P275-L376 HydrophobicContact CG-CD2 3.75Å; P275-I379 HydrophobicContact CB-CD1 3.79Å; P275-I379 HydrophobicContact CG-CD1 4.18Å
276F88.1Confident91.8Very high22 Ų2224.3 Ų24.310%0.09611%0.111CC..THydrogen-bonded Turntrans-97.78-178.4-66.4-77.5000113.7A274 P278 L307 W312 L372 L376 I414 L417 H418A274-F276 VanDerWaalsContact C-N 3.25Å; A274-F276 PolarHBondContact O-N 3.31Å; F276-P278 WeakPolarHBondContact O-CD 3.34Å; F276-L307 HydrophobicContact CD1-CD2 3.86Å; F276-W312 AromaticContact CD1-CH2 3.59Å; F276-W312 HydrophobicContact CD1-CH2 3.59Å; F276-W312 HydrophobicContact CD1-CZ3 4.17Å; F276-W312 AromaticContact CE1-CH2 3.58Å; F276-W312 HydrophobicContact CE1-CH2 3.58Å; F276-W312 HydrophobicContact CE1-CZ2 4.12Å; F276-W312 HydrophobicContact CE1-CZ3 4.34Å; F276-L372 HydrophobicContact CE1-CD2 4.41Å; F276-L376 HydrophobicContact CE1-CD1 4.49Å; F276-L376 HydrophobicContact CZ-CD1 4.2Å; F276-I414 HydrophobicContact CE1-CG2 3.79Å; F276-I414 HydrophobicContact CZ-CG2 4.28Å; F276-L417 HydrophobicContact CE2-CB 3.8Å; F276-L417 HydrophobicContact CZ-CB 3.74Å; F276-H418 HydrophobicContact CE1-CB 4.31Å; F276-H418 HydrophobicContact CE2-CB 4.13Å; F276-H418 HydrophobicContact CZ-CB 3.97Å
277Q89.1Confident91.7Very high21 Ų2122.1 Ų22.110%0.09810%0.102CC..  trans-90.2109.9178.9-63.5-66.6-2300109.7A274 E279 F280 Y281 F423 L425A274-Q277 HydrophobicContact CB-CG 3.86Å; A274-Q277 PolarHBondContact O-N 2.93Å; Q277-E279 VanDerWaalsContact C-N 3.27Å; Q277-E279 PolarHBondContact O-N 3.33Å; Q277-F280 HydrophobicContact CB-CD2 3.55Å; Q277-F280 HydrophobicContact CB-CE2 3.41Å; Q277-F280 VanDerWaalsContact CB-CE2 3.41Å; Q277-F280 HydrophobicContact CB-CG 4.33Å; Q277-F280 HydrophobicContact CB-CZ 4.12Å; Q277-F280 HydrophobicContact CG-CD2 4.37Å; Q277-F280 HydrophobicContact CG-CE2 3.78Å; Q277-F280 HydrophobicContact CG-CZ 4.39Å; Q277-F280 PolarHBondContact O-N 2.69Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.49Å; Q277-F423 PolarHBondContact NE2-O 3.14Å; Q277-L425 HydrophobicContact CG-CD1 4.1Å
278P90.7Very high91.7Very high8 Ų823 Ų235%0.05211%0.107CC..Hα-helixtrans-61.5-33.9-174.9-20.631.7000113.3F276 F280 Y281 M282 F304 L307 N308F276-P278 WeakPolarHBondContact O-CD 3.34Å; P278-F280 PolarHBondContact O-N 3.29Å; P278-F280 VanDerWaalsContact O-N 3.15Å; P278-Y281 PolarHBondContact O-N 2.03Å; P278-Y281 VanDerWaalsContact O-N 3.1Å; P278-M282 PolarHBondContact O-N 3.05Å; P278-F304 HydrophobicContact CB-CD2 3.57Å; P278-F304 HydrophobicContact CB-CE2 3.7Å; P278-F304 VanDerWaalsContact O-CD2 3.31Å; P278-F304 WeakPolarHBondContact O-CD2 3.3Å; P278-L307 HydrophobicContact CB-CB 4.37Å; P278-L307 HydrophobicContact CG-CB 3.92Å; P278-N308 WeakPolarHBondContact CB-ND2 3.44Å
279E91.5Very high91.7Very high58 Ų5824.2 Ų24.227%0.27111%0.108SC..Hα-helixtrans-59.4-31.2-173.5-63.974.8-164.600112.6Q277 T283 F426Q277-E279 VanDerWaalsContact C-N 3.27Å; Q277-E279 PolarHBondContact O-N 3.33Å; E279-T283 WeakPolarHBondContact O-CB 3.31Å; E279-T283 PolarHBondContact O-N 3.06Å; E279-T283 PolarHBondContact O-OG1 2.9Å; E279-F426 HydrophobicContact CG-CE2 4.49Å
280F93.7Very high91.7Very high0 Ų025 Ų250%012%0.115CC..Hα-helixtrans-69.4-43.1178.2-56.1-32.6000112C244 Y248 C270 I271 A274 Q277 P278 T283 R284 L425 F426C244-F280 VanDerWaalsContact SG-CE2 3.56Å; C244-F280 WeakPolarHBondContact SG-CZ 3.5Å; Y248-F280 HydrophobicContact CD1-CE1 4.1Å; Y248-F280 AromaticContact CD2-CD1 3.8Å; Y248-F280 HydrophobicContact CD2-CD1 3.8Å; Y248-F280 AromaticContact CD2-CE1 3.84Å; Y248-F280 HydrophobicContact CD2-CE1 3.84Å; Y248-F280 HydrophobicContact CE1-CE1 4.49Å; Y248-F280 HydrophobicContact CE2-CD1 4.04Å; Y248-F280 HydrophobicContact CE2-CE1 4.31Å; Y248-F280 HydrophobicContact CG-CD1 4.2Å; Y248-F280 AromaticContact CG-CE1 3.74Å; Y248-F280 HydrophobicContact CG-CE1 3.74Å; C270-F280 HydrophobicContact CB-CD1 4Å; C270-F280 HydrophobicContact CB-CD2 3.82Å; C270-F280 HydrophobicContact CB-CE1 4.07Å; C270-F280 HydrophobicContact CB-CE2 3.88Å; C270-F280 HydrophobicContact CB-CG 3.89Å; C270-F280 HydrophobicContact CB-CZ 4.02Å; I271-F280 HydrophobicContact CD1-CB 4.14Å; I271-F280 HydrophobicContact CG1-CB 3.63Å; I271-F280 HydrophobicContact CG1-CD2 4.39Å; I271-F280 HydrophobicContact CG1-CG 4.44Å; A274-F280 HydrophobicContact CB-CE2 4.02Å; Q277-F280 HydrophobicContact CB-CD2 3.55Å; Q277-F280 HydrophobicContact CB-CE2 3.41Å; Q277-F280 VanDerWaalsContact CB-CE2 3.41Å; Q277-F280 HydrophobicContact CB-CG 4.33Å; Q277-F280 HydrophobicContact CB-CZ 4.12Å; Q277-F280 HydrophobicContact CG-CD2 4.37Å; Q277-F280 HydrophobicContact CG-CE2 3.78Å; Q277-F280 HydrophobicContact CG-CZ 4.39Å; Q277-F280 PolarHBondContact O-N 2.69Å; P278-F280 PolarHBondContact O-N 3.29Å; P278-F280 VanDerWaalsContact O-N 3.15Å; F280-T283 PolarHBondContact O-N 3.23Å; F280-R284 VanDerWaalsContact O-CB 3.29Å; F280-R284 WeakPolarHBondContact O-CB 3.48Å; F280-R284 PolarHBondContact O-N 3.3Å; F280-L425 HydrophobicContact CE2-CD1 3.92Å; F280-L425 HydrophobicContact CZ-CD1 3.55Å; F280-F426 HydrophobicContact CE1-CZ 4.27Å; F280-F426 HydrophobicContact CZ-CZ 4.42Å
281Y94.5Very high91.7Very high0 Ų026.1 Ų26.10%012%0.123CC..Hα-helixtrans-66.9-41.1176.4-60.2-78.9000111.3I271 P275 Q277 P278 T283 R284 A285 I303 L307I271-Y281 HydrophobicContact CD1-CD1 3.9Å; I271-Y281 HydrophobicContact CD1-CE1 3.85Å; I271-Y281 HydrophobicContact CD1-CG 4.48Å; I271-Y281 HydrophobicContact CG1-CE1 4.15Å; I271-Y281 HydrophobicContact CG2-CE1 3.88Å; I271-Y281 WeakPolarHBondContact CG2-OH 3.39Å; P275-Y281 WeakPolarHBondContact O-CE2 3.27Å; P275-Y281 PolarHBondContact O-OH 3.07Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.49Å; P278-Y281 PolarHBondContact O-N 2.03Å; P278-Y281 VanDerWaalsContact O-N 3.1Å; Y281-T283 PolarHBondContact O-N 2.86Å; Y281-R284 PolarHBondContact O-N 3.02Å; Y281-A285 VanDerWaalsContact O-CB 3.25Å; Y281-A285 WeakPolarHBondContact O-CB 3.45Å; Y281-A285 PolarHBondContact O-N 2.96Å; Y281-I303 HydrophobicContact CD1-CB 4.12Å; Y281-I303 HydrophobicContact CD1-CD1 4.19Å; Y281-I303 HydrophobicContact CD1-CG2 3.76Å; Y281-I303 HydrophobicContact CD2-CG2 3.84Å; Y281-I303 HydrophobicContact CE1-CB 4.37Å; Y281-I303 HydrophobicContact CE1-CD1 4.01Å; Y281-I303 HydrophobicContact CE1-CG2 3.68Å; Y281-I303 HydrophobicContact CE2-CG2 3.75Å; Y281-I303 HydrophobicContact CG-CB 4.32Å; Y281-I303 HydrophobicContact CG-CG2 3.82Å; Y281-L307 HydrophobicContact CD2-CD1 3.77Å; Y281-L307 HydrophobicContact CE2-CD1 3.53Å
282M94.3Very high91.7Very high31 Ų3132.6 Ų32.615%0.15316%0.158CC..Hα-helixtrans-58.2-49.8174.6178.9-172.17100111.4P278 R284 A285 L286 F304 Q344 I345P278-M282 PolarHBondContact O-N 3.05Å; M282-R284 PolarHBondContact O-N 3.27Å; M282-A285 PolarHBondContact O-N 3.06Å; M282-L286 PolarHBondContact O-N 3.41Å; M282-F304 HydrophobicContact CB-CD2 3.82Å; M282-F304 HydrophobicContact CB-CE2 3.85Å; M282-F304 HydrophobicContact CB-CG 4.42Å; M282-F304 HydrophobicContact CB-CZ 4.49Å; M282-F304 HydrophobicContact CG-CE2 4.43Å; M282-F304 HydrophobicContact SD-CE2 4.35Å; M282-F304 HydrophobicContact SD-CZ 4.37Å; M282-Q344 HydrophobicContact SD-CB 3.75Å; M282-Q344 HydrophobicContact SD-CG 4.18Å; M282-I345 HydrophobicContact CG-CD1 4.38Å
283T94.1Very high92Very high14 Ų1433.8 Ų33.89%0.08617%0.166CC..Hα-helixtrans-63.4-43.7179.9-53.10000110.8Y248 I255 L267 E279 F280 Y281 A285 L286 V287Y248-T283 HydrophobicContact CE2-CG2 4.37Å; I255-T283 HydrophobicContact CD1-CG2 3.58Å; L267-T283 HydrophobicContact CD1-CG2 4.01Å; L267-T283 HydrophobicContact CD2-CG2 4.06Å; E279-T283 WeakPolarHBondContact O-CB 3.31Å; E279-T283 PolarHBondContact O-N 3.06Å; E279-T283 PolarHBondContact O-OG1 2.9Å; F280-T283 PolarHBondContact O-N 3.23Å; Y281-T283 PolarHBondContact O-N 2.86Å; T283-A285 PolarHBondContact O-N 3.43Å; T283-L286 PolarHBondContact O-N 3.41Å; T283-V287 WeakPolarHBondContact O-CG2 3.32Å; T283-V287 PolarHBondContact O-N 2.91Å; T283-V287 VanDerWaalsContact O-N 3.13Å
284R95.8Very high92.3Very high18 Ų1837 Ų377%0.06819%0.187CC..Hα-helixtrans-66.4-36.5178.4-164176.166.1-174.8-4112.4L267 D268 I271 F280 Y281 M282 L286 V287 H288 D300L267-R284 HydrophobicContact CB-CB 4.32Å; L267-R284 HydrophobicContact CB-CG 4.36Å; L267-R284 HydrophobicContact CD1-CB 3.9Å; L267-R284 HydrophobicContact CD1-CG 4.25Å; D268-R284 WeakPolarHBondContact OD1-CD 3.27Å; D268-R284 IonicContact OD1-CZ 3.74Å; D268-R284 IonicContact OD1-NE 2.99Å; D268-R284 IonicContact OD1-NH1 3.97Å; D268-R284 PolarHBondContact OD1-NH1 3.47Å; I271-R284 VanDerWaalsContact CD1-NH1 3.25Å; F280-R284 VanDerWaalsContact O-CB 3.29Å; F280-R284 WeakPolarHBondContact O-CB 3.48Å; F280-R284 PolarHBondContact O-N 3.3Å; Y281-R284 PolarHBondContact O-N 3.02Å; M282-R284 PolarHBondContact O-N 3.27Å; R284-L286 VanDerWaalsContact C-N 3.33Å; R284-L286 PolarHBondContact O-N 3.43Å; R284-V287 PolarHBondContact O-N 3.32Å; R284-H288 WeakPolarHBondContact O-CB 3.34Å; R284-H288 PolarHBondContact O-CD2 2.95Å; R284-H288 PolarHBondContact O-N 2.86Å; R284-D300 WeakPolarHBondContact CB-OD2 3.42Å; R284-D300 WeakPolarHBondContact CG-OD2 3.32Å; R284-D300 IonicContact CZ-OD1 2.84Å; R284-D300 IonicContact CZ-OD2 3.89Å; R284-D300 IonicContact NE-OD1 3.7Å; R284-D300 PolarHBondContact NE-OD1 2.9Å; R284-D300 IonicContact NE-OD2 3.14Å; R284-D300 PolarHBondContact NE-OD2 2.91Å; R284-D300 IonicContact NH2-OD1 3.95Å; R284-D300 PolarHBondContact NH2-OD1 3.37Å; R284-D300 IonicContact NH2-OD2 3.62Å
285A94.8Very high92.6Very high0 Ų044.5 Ų44.50%022%0.219CC..Hα-helixtrans-60.1-43.1175.400000112Y281 M282 T283 Y289 S297 D300 I301 L348Y281-A285 VanDerWaalsContact O-CB 3.25Å; Y281-A285 WeakPolarHBondContact O-CB 3.45Å; Y281-A285 PolarHBondContact O-N 2.96Å; M282-A285 PolarHBondContact O-N 3.06Å; T283-A285 PolarHBondContact O-N 3.43Å; A285-Y289 WeakPolarHBondContact O-CB 3.48Å; A285-Y289 PolarHBondContact O-N 3.14Å; A285-S297 WeakPolarHBondContact O-CB 3.48Å; A285-S297 PolarHBondContact O-OG 3.1Å; A285-D300 HydrophobicContact CB-CB 3.72Å; A285-I301 HydrophobicContact CB-CG1 4.09Å; A285-L348 HydrophobicContact CB-CD2 3.94Å
286L94.2Very high92.8Very high73 Ų7349.3 Ų49.338%0.38224%0.241SC..Hα-helixtrans-64.5-43.8176.2-70.4167.7000111.4M282 T283 R284 Y289 Q290 L348M282-L286 PolarHBondContact O-N 3.41Å; T283-L286 PolarHBondContact O-N 3.41Å; R284-L286 VanDerWaalsContact C-N 3.33Å; R284-L286 PolarHBondContact O-N 3.43Å; L286-Y289 WeakPolarHBondContact O-CB 3.45Å; L286-Y289 PolarHBondContact O-N 3.39Å; L286-Q290 WeakPolarHBondContact O-CG 3.45Å; L286-Q290 PolarHBondContact O-N 3.08Å; L286-L348 HydrophobicContact CD2-CB 4.42Å; L286-L348 HydrophobicContact CD2-CD2 3.96Å; L286-L348 HydrophobicContact CG-CD2 4.35Å
287V94.6Very high93Very high1 Ų148.2 Ų48.21%0.00624%0.236CC..Hα-helixtrans-66.5-40.4177.7176.70000111.9I255 W260 A263 I264 L267 T283 R284 Y289 Q290 S291I255-V287 HydrophobicContact CD1-CG2 3.53Å; I255-V287 HydrophobicContact CG1-CG2 3.62Å; W260-V287 HydrophobicContact CB-CG1 4.1Å; W260-V287 HydrophobicContact CE3-CG1 3.94Å; W260-V287 HydrophobicContact CE3-CG2 4.46Å; A263-V287 HydrophobicContact CB-CG1 4.4Å; I264-V287 HydrophobicContact CD1-CG1 3.95Å; I264-V287 HydrophobicContact CG1-CB 4.46Å; I264-V287 HydrophobicContact CG1-CG1 3.58Å; L267-V287 HydrophobicContact CD1-CG2 4.38Å; T283-V287 WeakPolarHBondContact O-CG2 3.32Å; T283-V287 PolarHBondContact O-N 2.91Å; T283-V287 VanDerWaalsContact O-N 3.13Å; R284-V287 PolarHBondContact O-N 3.32Å; V287-Y289 VanDerWaalsContact C-N 3.33Å; V287-Y289 PolarHBondContact O-N 3.5Å; V287-Q290 PolarHBondContact O-N 3.35Å; V287-S291 WeakPolarHBondContact O-CB 3.14Å; V287-S291 PolarHBondContact O-N 3.23Å; V287-S291 PolarHBondContact O-OG 2.9Å
288H95.9Very high93.2Very high19 Ų1950 Ų509%0.08824%0.242CC..Hα-helixtrans-63.4-39.1173.9-82.8-45.1000112.1R284 S291 N292 H293 H296 D300R284-H288 WeakPolarHBondContact O-CB 3.34Å; R284-H288 PolarHBondContact O-CD2 2.95Å; R284-H288 PolarHBondContact O-N 2.86Å; H288-S291 WeakPolarHBondContact CA-OG 3.31Å; H288-S291 CarbonylContact O-C 3.53Å; H288-S291 PolarHBondContact O-N 2.99Å; H288-S291 PolarHBondContact O-OG 3.42Å; H288-S291 VanDerWaalsContact O-OG 3.1Å; H288-N292 PolarHBondContact O-N 2.67Å; H288-H293 HydrophobicContact CB-CB 4.22Å; H288-H293 WeakPolarHBondContact O-CA 3.45Å; H288-H293 PolarHBondContact O-N 3.37Å; H288-H296 HydrophobicContact CB-CB 4.3Å; H288-D300 IonicContact CD2-OD2 2.83Å; H288-D300 PolarHBondContact CD2-OD2 3Å; H288-D300 IonicContact NE2-OD2 3.9Å
289Y93.7Very high93.3Very high71 Ų7152 Ų5228%0.27825%0.252SS..Hα-helixtrans-62.7-46.9174.3179.9-99.7000111.7A285 L286 V287 S291 N292 L348 R351 L352A285-Y289 WeakPolarHBondContact O-CB 3.48Å; A285-Y289 PolarHBondContact O-N 3.14Å; L286-Y289 WeakPolarHBondContact O-CB 3.45Å; L286-Y289 PolarHBondContact O-N 3.39Å; V287-Y289 VanDerWaalsContact C-N 3.33Å; V287-Y289 PolarHBondContact O-N 3.5Å; Y289-S291 PolarHBondContact O-N 2.99Å; Y289-N292 PolarHBondContact O-N 3.45Å; Y289-N292 VanDerWaalsContact O-N 3.07Å; Y289-L348 HydrophobicContact CD1-CD1 3.88Å; Y289-L348 HydrophobicContact CD2-CD1 3.63Å; Y289-L348 HydrophobicContact CE1-CD1 4.46Å; Y289-L348 HydrophobicContact CE2-CD1 4.24Å; Y289-L348 HydrophobicContact CG-CD1 3.43Å; Y289-L348 VanDerWaalsContact CG-CD1 3.43Å; Y289-R351 HydrophobicContact CE2-CB 4.33Å; Y289-R351 WeakPolarHBondContact OH-CD 3.48Å; Y289-L352 HydrophobicContact CD2-CD2 3.93Å; Y289-L352 HydrophobicContact CD2-CG 4.35Å; Y289-L352 HydrophobicContact CE2-CD2 4.09Å; Y289-L352 HydrophobicContact CE2-CG 4.5Å
290Q91.6Very high93.4Very high98 Ų9849.4 Ų49.446%0.45824%0.24SC..Hα-helixtrans-63.4-29.3177.5-73.3173.6-36.600113.2W260 L286 V287 N292W260-Q290 HydrophobicContact CD2-CB 4.46Å; W260-Q290 HydrophobicContact CH2-CB 4.25Å; W260-Q290 HydrophobicContact CH2-CG 4.42Å; W260-Q290 HydrophobicContact CZ2-CB 4.19Å; W260-Q290 HydrophobicContact CZ3-CB 4.42Å; L286-Q290 WeakPolarHBondContact O-CG 3.45Å; L286-Q290 PolarHBondContact O-N 3.08Å; V287-Q290 PolarHBondContact O-N 3.35Å; Q290-N292 VanDerWaalsContact C-N 3.33Å
291S93.1Very high93.3Very high24 Ų2449.4 Ų49.417%0.16824%0.24CC..THydrogen-bonded Turntrans-89.613174.958.20000114.2V287 H288 Y289 H293V287-S291 WeakPolarHBondContact O-CB 3.14Å; V287-S291 PolarHBondContact O-N 3.23Å; V287-S291 PolarHBondContact O-OG 2.9Å; H288-S291 WeakPolarHBondContact CA-OG 3.31Å; H288-S291 CarbonylContact O-C 3.53Å; H288-S291 PolarHBondContact O-N 2.99Å; H288-S291 PolarHBondContact O-OG 3.42Å; H288-S291 VanDerWaalsContact O-OG 3.1Å; Y289-S291 PolarHBondContact O-N 2.99Å; S291-H293 VanDerWaalsContact C-N 3.25Å; S291-H293 WeakPolarHBondContact CB-ND1 3.44Å; S291-H293 PolarHBondContact O-CE1 3.44Å; S291-H293 PolarHBondContact O-N 3.37Å; S291-H293 PolarHBondContact O-ND1 3.15Å; S291-H293 PolarHBondContact OG-ND1 3.3Å
292N90.9Very high93.2Very high144 Ų14449.5 Ų49.577%0.7724%0.241SC*.THydrogen-bonded Turntrans6318.5-179.3-63.6-36.8000115.9H288 Y289 Q290 T294H288-N292 PolarHBondContact O-N 2.67Å; Y289-N292 PolarHBondContact O-N 3.45Å; Y289-N292 VanDerWaalsContact O-N 3.07Å; Q290-N292 VanDerWaalsContact C-N 3.33Å; N292-T294 PolarHBondContact O-N 2.99Å
293H93.2Very high93.1Very high94 Ų9448.1 Ų48.144%0.43523%0.234SC..  trans-92.864.7175.8-62100.3000111.7H288 S291 K295 H296 S297H288-H293 HydrophobicContact CB-CB 4.22Å; H288-H293 WeakPolarHBondContact O-CA 3.45Å; H288-H293 PolarHBondContact O-N 3.37Å; S291-H293 VanDerWaalsContact C-N 3.25Å; S291-H293 WeakPolarHBondContact CB-ND1 3.44Å; S291-H293 PolarHBondContact O-CE1 3.44Å; S291-H293 PolarHBondContact O-N 3.37Å; S291-H293 PolarHBondContact O-ND1 3.15Å; S291-H293 PolarHBondContact OG-ND1 3.3Å; H293-K295 VanDerWaalsContact C-N 3.33Å; H293-K295 PolarHBondContact O-N 3.28Å; H293-H296 HydrophobicContact CB-CB 4.32Å; H293-H296 PolarHBondContact O-N 3.01Å; H293-H296 VanDerWaalsContact O-N 3.15Å; H293-S297 PolarHBondContact O-N 3.19Å
294T91.7Very high93Very high79 Ų7947.4 Ų47.449%0.48523%0.23SC..Hα-helixtrans-57.7-37.8-17357.60000114.2N292 S297 W298 L352N292-T294 PolarHBondContact O-N 2.99Å; T294-S297 WeakPolarHBondContact O-CB 3.35Å; T294-S297 PolarHBondContact O-N 3.16Å; T294-W298 PolarHBondContact O-N 3.48Å; T294-L352 HydrophobicContact CG2-CD2 4Å
295K91.4Very high92.8Very high159 Ų15946.6 Ų46.669%0.69123%0.227SC*.Hα-helixtrans-63.8-41.6177.8-174.8178.4-179.8179.20112.7H293 W298 N299H293-K295 VanDerWaalsContact C-N 3.33Å; H293-K295 PolarHBondContact O-N 3.28Å; K295-W298 PolarHBondContact O-N 2.91Å; K295-N299 VanDerWaalsContact O-CG 3.3Å; K295-N299 PolarHBondContact O-N 3.38Å; K295-N299 VanDerWaalsContact O-N 3.12Å; K295-N299 PolarHBondContact O-ND2 2.94Å
296H92.3Very high92.7Very high101 Ų10147.3 Ų47.347%0.46823%0.229SC..Hα-helixtrans-70.6-40.9177.2-66.291.1000110.7H288 H293 W298 N299 D300H288-H296 HydrophobicContact CB-CB 4.3Å; H293-H296 HydrophobicContact CB-CB 4.32Å; H293-H296 PolarHBondContact O-N 3.01Å; H293-H296 VanDerWaalsContact O-N 3.15Å; H296-W298 VanDerWaalsContact C-N 3.3Å; H296-W298 PolarHBondContact O-N 3.38Å; H296-N299 PolarHBondContact O-N 3.13Å; H296-D300 PolarHBondContact O-N 2.86Å; H296-D300 VanDerWaalsContact O-N 3.07Å
297S92.8Very high92.5Very high0 Ų044.2 Ų44.20%021%0.213CC..Hα-helixtrans-55.3-45.9172.6-1730000111.7A285 H293 T294 D300 I301A285-S297 WeakPolarHBondContact O-CB 3.48Å; A285-S297 PolarHBondContact O-OG 3.1Å; H293-S297 PolarHBondContact O-N 3.19Å; T294-S297 WeakPolarHBondContact O-CB 3.35Å; T294-S297 PolarHBondContact O-N 3.16Å; S297-D300 PolarHBondContact O-N 3.43Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.35Å; S297-I301 PolarHBondContact O-N 2.9Å
298W92.5Very high92.3Very high58 Ų5844.8 Ų44.822%0.2222%0.216CC..Hα-helixtrans-63.7-44177.6-171.5-107.2000113T294 K295 H296 D300 I301 L302 I349 L352 T353 I357T294-W298 PolarHBondContact O-N 3.48Å; K295-W298 PolarHBondContact O-N 2.91Å; H296-W298 VanDerWaalsContact C-N 3.3Å; H296-W298 PolarHBondContact O-N 3.38Å; W298-D300 VanDerWaalsContact C-N 3.27Å; W298-D300 PolarHBondContact O-N 3.35Å; W298-I301 HydrophobicContact CE3-CD1 4.07Å; W298-I301 HydrophobicContact CZ3-CG2 4.42Å; W298-I301 WeakPolarHBondContact O-CB 3.42Å; W298-I301 PolarHBondContact O-N 3.47Å; W298-I301 VanDerWaalsContact O-N 3.17Å; W298-L302 HydrophobicContact CZ2-CD2 4.17Å; W298-L302 WeakPolarHBondContact O-CG 3.48Å; W298-L302 PolarHBondContact O-N 3.14Å; W298-I349 HydrophobicContact CZ3-CG2 4.48Å; W298-L352 HydrophobicContact CE3-CB 4.18Å; W298-L352 HydrophobicContact CE3-CD1 4.03Å; W298-L352 HydrophobicContact CZ3-CB 4.37Å; W298-T353 HydrophobicContact CE3-CG2 4.41Å; W298-T353 HydrophobicContact CH2-CG2 3.73Å; W298-T353 HydrophobicContact CZ2-CG2 4.29Å; W298-T353 HydrophobicContact CZ3-CG2 3.79Å; W298-I357 HydrophobicContact CH2-CD1 3.73Å; W298-I357 HydrophobicContact CZ2-CD1 4.36Å
299N92Very high92Very high50 Ų5043.9 Ų43.927%0.26721%0.212SC..Hα-helixtrans-59.5-39.2176.9-69.8-19.4000112.2K295 H296 L302 I303K295-N299 VanDerWaalsContact O-CG 3.3Å; K295-N299 PolarHBondContact O-N 3.38Å; K295-N299 VanDerWaalsContact O-N 3.12Å; K295-N299 PolarHBondContact O-ND2 2.94Å; H296-N299 PolarHBondContact O-N 3.13Å; N299-L302 PolarHBondContact O-N 3.26Å; N299-I303 WeakPolarHBondContact O-CG1 3.11Å; N299-I303 PolarHBondContact O-N 3.45Å
300D93.3Very high91.8Very high4 Ų440.5 Ų40.52%0.02120%0.199CC..Hα-helixtrans-68.6-37.2177-75.5-19.4000112.4R284 A285 H288 H296 S297 W298 I303 F304R284-D300 WeakPolarHBondContact CB-OD2 3.42Å; R284-D300 WeakPolarHBondContact CG-OD2 3.32Å; R284-D300 IonicContact CZ-OD1 2.84Å; R284-D300 IonicContact CZ-OD2 3.89Å; R284-D300 IonicContact NE-OD1 3.7Å; R284-D300 PolarHBondContact NE-OD1 2.9Å; R284-D300 IonicContact NE-OD2 3.14Å; R284-D300 PolarHBondContact NE-OD2 2.91Å; R284-D300 IonicContact NH2-OD1 3.95Å; R284-D300 PolarHBondContact NH2-OD1 3.37Å; R284-D300 IonicContact NH2-OD2 3.62Å; A285-D300 HydrophobicContact CB-CB 3.72Å; H288-D300 IonicContact CD2-OD2 2.83Å; H288-D300 PolarHBondContact CD2-OD2 3Å; H288-D300 IonicContact NE2-OD2 3.9Å; H296-D300 PolarHBondContact O-N 2.86Å; H296-D300 VanDerWaalsContact O-N 3.07Å; S297-D300 PolarHBondContact O-N 3.43Å; W298-D300 VanDerWaalsContact C-N 3.27Å; W298-D300 PolarHBondContact O-N 3.35Å; D300-I303 PolarHBondContact O-N 3.22Å; D300-F304 WeakPolarHBondContact O-CB 3.48Å; D300-F304 PolarHBondContact O-N 3.35Å
301I91.9Very high91.5Very high0 Ų039.1 Ų39.10%019%0.194CC..Hα-helixtrans-60.2-45.7172.6-69.8163.9000110.7A285 S297 W298 I303 F304 I305 I345 L348 I349 L352A285-I301 HydrophobicContact CB-CG1 4.09Å; S297-I301 VanDerWaalsContact O-CG1 3.29Å; S297-I301 WeakPolarHBondContact O-CG1 3.35Å; S297-I301 PolarHBondContact O-N 2.9Å; W298-I301 HydrophobicContact CE3-CD1 4.07Å; W298-I301 HydrophobicContact CZ3-CG2 4.42Å; W298-I301 WeakPolarHBondContact O-CB 3.42Å; W298-I301 PolarHBondContact O-N 3.47Å; W298-I301 VanDerWaalsContact O-N 3.17Å; I301-I303 VanDerWaalsContact C-N 3.3Å; I301-I303 PolarHBondContact O-N 3.26Å; I301-F304 PolarHBondContact O-N 3.21Å; I301-I305 HydrophobicContact CG2-CD1 3.59Å; I301-I305 HydrophobicContact CG2-CG1 4.33Å; I301-I305 WeakPolarHBondContact O-CB 3.37Å; I301-I305 VanDerWaalsContact O-CG1 3.26Å; I301-I305 WeakPolarHBondContact O-CG1 3.5Å; I301-I305 PolarHBondContact O-N 3.19Å; I301-I345 HydrophobicContact CB-CD1 4.36Å; I301-I345 HydrophobicContact CG1-CD1 3.6Å; I301-I345 HydrophobicContact CG1-CG1 4.15Å; I301-L348 HydrophobicContact CD1-CD2 3.79Å; I301-L348 HydrophobicContact CD1-CG 3.94Å; I301-L348 HydrophobicContact CG1-CD2 4.16Å; I301-I349 HydrophobicContact CD1-CG1 4.47Å; I301-I349 HydrophobicContact CG2-CD1 3.97Å; I301-I349 HydrophobicContact CG2-CG1 3.84Å; I301-L352 HydrophobicContact CD1-CD1 3.35Å
302L92.2Very high91.2Very high2 Ų239.5 Ų39.51%0.0119%0.192CC..Hα-helixtrans-59.4-42.2178.3-66.9179.1000111.6W298 N299 Y306 V362 E367W298-L302 HydrophobicContact CZ2-CD2 4.17Å; W298-L302 WeakPolarHBondContact O-CG 3.48Å; W298-L302 PolarHBondContact O-N 3.14Å; N299-L302 PolarHBondContact O-N 3.26Å; L302-Y306 WeakPolarHBondContact O-CB 3.44Å; L302-Y306 PolarHBondContact O-N 3.42Å; L302-V362 HydrophobicContact CD2-CG1 3.76Å; L302-E367 HydrophobicContact CD1-CG 4.18Å
303I92.3Very high91Very high1 Ų132.9 Ų32.91%0.00516%0.157CC..Hα-helixtrans-68.7-43.2177.7-64.7166.4000111.2Y281 N299 D300 I301 I305 Y306 L307 L372 N375Y281-I303 HydrophobicContact CD1-CB 4.12Å; Y281-I303 HydrophobicContact CD1-CD1 4.19Å; Y281-I303 HydrophobicContact CD1-CG2 3.76Å; Y281-I303 HydrophobicContact CD2-CG2 3.84Å; Y281-I303 HydrophobicContact CE1-CB 4.37Å; Y281-I303 HydrophobicContact CE1-CD1 4.01Å; Y281-I303 HydrophobicContact CE1-CG2 3.68Å; Y281-I303 HydrophobicContact CE2-CG2 3.75Å; Y281-I303 HydrophobicContact CG-CB 4.32Å; Y281-I303 HydrophobicContact CG-CG2 3.82Å; N299-I303 WeakPolarHBondContact O-CG1 3.11Å; N299-I303 PolarHBondContact O-N 3.45Å; D300-I303 PolarHBondContact O-N 3.22Å; I301-I303 VanDerWaalsContact C-N 3.3Å; I301-I303 PolarHBondContact O-N 3.26Å; I303-I305 VanDerWaalsContact C-N 3.33Å; I303-I305 PolarHBondContact O-N 3.03Å; I303-Y306 WeakPolarHBondContact O-CB 3.47Å; I303-Y306 PolarHBondContact O-N 3.32Å; I303-L307 HydrophobicContact CG2-CD1 3.9Å; I303-L307 HydrophobicContact CG2-CG 4.24Å; I303-L307 WeakPolarHBondContact O-CG 3.42Å; I303-L307 PolarHBondContact O-N 2.89Å; I303-L372 HydrophobicContact CG1-CB 4.42Å; I303-L372 HydrophobicContact CG2-CD1 3.94Å; I303-N375 WeakPolarHBondContact CD1-ND2 3.39Å
304F93.2Very high90.6Very high0 Ų028.4 Ų28.40%014%0.137CC..Hα-helixtrans-59.3-43.8176.6174-101.8000112.2P278 M282 D300 I301 N308 V341 Q344 I345P278-F304 HydrophobicContact CB-CD2 3.57Å; P278-F304 HydrophobicContact CB-CE2 3.7Å; P278-F304 VanDerWaalsContact O-CD2 3.31Å; P278-F304 WeakPolarHBondContact O-CD2 3.3Å; M282-F304 HydrophobicContact CB-CD2 3.82Å; M282-F304 HydrophobicContact CB-CE2 3.85Å; M282-F304 HydrophobicContact CB-CG 4.42Å; M282-F304 HydrophobicContact CB-CZ 4.49Å; M282-F304 HydrophobicContact CG-CE2 4.43Å; M282-F304 HydrophobicContact SD-CE2 4.35Å; M282-F304 HydrophobicContact SD-CZ 4.37Å; D300-F304 WeakPolarHBondContact O-CB 3.48Å; D300-F304 PolarHBondContact O-N 3.35Å; I301-F304 PolarHBondContact O-N 3.21Å; F304-N308 WeakPolarHBondContact CD2-ND2 3.41Å; F304-N308 WeakPolarHBondContact CE2-ND2 3.4Å; F304-N308 VanDerWaalsContact CZ-ND2 3.27Å; F304-N308 WeakPolarHBondContact CZ-ND2 2.98Å; F304-N308 PolarHBondContact O-N 2.91Å; F304-N308 PolarHBondContact O-ND2 3.37Å; F304-N308 VanDerWaalsContact O-ND2 3.1Å; F304-V341 HydrophobicContact CE1-CB 4.35Å; F304-V341 HydrophobicContact CE1-CG1 4Å; F304-V341 HydrophobicContact CE1-CG2 4.01Å; F304-V341 HydrophobicContact CZ-CG2 4.38Å; F304-Q344 HydrophobicContact CZ-CB 4.38Å; F304-Q344 VanDerWaalsContact CZ-OE1 3.27Å; F304-I345 HydrophobicContact CD1-CB 4.39Å; F304-I345 HydrophobicContact CD1-CD1 3.83Å; F304-I345 HydrophobicContact CD1-CG2 3.99Å; F304-I345 HydrophobicContact CE1-CB 4.12Å; F304-I345 HydrophobicContact CE1-CD1 4.3Å; F304-I345 HydrophobicContact CE1-CG2 3.81Å; F304-I345 HydrophobicContact CG-CD1 4.3Å
305I91.7Very high90.3Very high1 Ų128.4 Ų28.41%0.00513%0.13CC..Hα-helixtrans-62.8-46.2174.8-71.4165.4000110I301 I303 L307 N308 L309 V341 I349 L359 A363I301-I305 HydrophobicContact CG2-CD1 3.59Å; I301-I305 HydrophobicContact CG2-CG1 4.33Å; I301-I305 WeakPolarHBondContact O-CB 3.37Å; I301-I305 VanDerWaalsContact O-CG1 3.26Å; I301-I305 WeakPolarHBondContact O-CG1 3.5Å; I301-I305 PolarHBondContact O-N 3.19Å; I303-I305 VanDerWaalsContact C-N 3.33Å; I303-I305 PolarHBondContact O-N 3.03Å; I305-L307 PolarHBondContact O-N 2.87Å; I305-N308 PolarHBondContact O-N 3.44Å; I305-L309 HydrophobicContact CG2-CD1 4.3Å; I305-L309 WeakPolarHBondContact O-CB 2.97Å; I305-L309 PolarHBondContact O-N 3.48Å; I305-V341 HydrophobicContact CG1-CG1 4.45Å; I305-I349 HydrophobicContact CD1-CD1 4.09Å; I305-L359 HydrophobicContact CD1-CD2 3.82Å; I305-A363 HydrophobicContact CG2-CB 3.53Å
306Y91.5Very high89.9Confident14 Ų1422.8 Ų22.86%0.05511%0.106CC..Hα-helixtrans-56.3-50.3177.2-174-93.4000112.1L302 I303 N308 S310 W312 A363 C368 E369 L372 I414L302-Y306 WeakPolarHBondContact O-CB 3.44Å; L302-Y306 PolarHBondContact O-N 3.42Å; I303-Y306 WeakPolarHBondContact O-CB 3.47Å; I303-Y306 PolarHBondContact O-N 3.32Å; Y306-N308 PolarHBondContact O-N 2.89Å; Y306-S310 WeakPolarHBondContact O-CB 3.12Å; Y306-S310 PolarHBondContact O-N 3.17Å; Y306-S310 PolarHBondContact O-OG 3.33Å; Y306-W312 HydrophobicContact CE1-CD2 4.4Å; Y306-W312 AromaticContact CE1-CE3 3.9Å; Y306-W312 HydrophobicContact CE1-CE3 3.9Å; Y306-A363 WeakPolarHBondContact CD2-O 3.14Å; Y306-C368 HydrophobicContact CD2-CB 3.83Å; Y306-C368 HydrophobicContact CG-CB 4.35Å; Y306-E369 HydrophobicContact CD2-CB 4.43Å; Y306-E369 HydrophobicContact CE2-CB 3.77Å; Y306-E369 HydrophobicContact CE2-CG 4.11Å; Y306-L372 HydrophobicContact CD1-CD2 3.58Å; Y306-L372 HydrophobicContact CE1-CD2 3.48Å; Y306-L372 VanDerWaalsContact CE1-CD2 3.48Å; Y306-I414 HydrophobicContact CE1-CD1 4.23Å; Y306-I414 WeakPolarHBondContact OH-CD1 3.47Å
307L90.9Very high89.4Confident9 Ų923.1 Ų23.15%0.04710%0.103CC..Hα-helixtrans-69.3-12-176.5-66.8174.4000114.1F276 P278 Y281 I303 I305 W312 A313 L372F276-L307 HydrophobicContact CD1-CD2 3.86Å; P278-L307 HydrophobicContact CB-CB 4.37Å; P278-L307 HydrophobicContact CG-CB 3.92Å; Y281-L307 HydrophobicContact CD2-CD1 3.77Å; Y281-L307 HydrophobicContact CE2-CD1 3.53Å; I303-L307 HydrophobicContact CG2-CD1 3.9Å; I303-L307 HydrophobicContact CG2-CG 4.24Å; I303-L307 WeakPolarHBondContact O-CG 3.42Å; I303-L307 PolarHBondContact O-N 2.89Å; I305-L307 PolarHBondContact O-N 2.87Å; L307-W312 HydrophobicContact CD2-CZ3 4.04Å; L307-A313 WeakPolarHBondContact O-CB 3.44Å; L307-L372 HydrophobicContact CD2-CD2 4.03Å
308N90.2Very high88.8Confident12 Ų1224.2 Ų24.26%0.06411%0.11CC..Hα-helixtrans-111.3-38.1-179.3-79.2-48.7000114.5P278 F304 I305 Y306 R317 V341P278-N308 WeakPolarHBondContact CB-ND2 3.44Å; F304-N308 WeakPolarHBondContact CD2-ND2 3.41Å; F304-N308 WeakPolarHBondContact CE2-ND2 3.4Å; F304-N308 VanDerWaalsContact CZ-ND2 3.27Å; F304-N308 WeakPolarHBondContact CZ-ND2 2.98Å; F304-N308 PolarHBondContact O-N 2.91Å; F304-N308 PolarHBondContact O-ND2 3.37Å; F304-N308 VanDerWaalsContact O-ND2 3.1Å; I305-N308 PolarHBondContact O-N 3.44Å; Y306-N308 PolarHBondContact O-N 2.89Å; N308-R317 PolarHBondContact O-NH1 3.29Å; N308-R317 PolarHBondContact OD1-NH2 2.94Å; N308-V341 HydrophobicContact CB-CG2 3.76Å
309L90.3Very high88.2Confident0 Ų028.5 Ų28.50%014%0.137CC..Hα-helixtrans-116.2-12.5-168.6-62.9179.1000113.9I305 H334 F337 L338 V341 L359 A363I305-L309 HydrophobicContact CG2-CD1 4.3Å; I305-L309 WeakPolarHBondContact O-CB 2.97Å; I305-L309 PolarHBondContact O-N 3.48Å; L309-H334 PolarHBondContact O-NE2 3.46Å; L309-F337 HydrophobicContact CD2-CB 3.68Å; L309-L338 HydrophobicContact CD1-CD1 3.93Å; L309-L338 HydrophobicContact CD2-CB 4.32Å; L309-V341 HydrophobicContact CD1-CB 4.29Å; L309-V341 HydrophobicContact CD1-CG1 4.14Å; L309-V341 HydrophobicContact CD1-CG2 4.18Å; L309-V341 HydrophobicContact CD2-CG2 4.3Å; L309-V341 HydrophobicContact CG-CG2 4.07Å; L309-L359 HydrophobicContact CD1-CB 3.94Å; L309-A363 HydrophobicContact CB-CB 3.66Å
310S88.5Confident87.6Confident1 Ų127.2 Ų27.21%0.00714%0.136CC..SBendtrans-66.6150.8178.167.90000111.1Y306 W312 A313 L314 N364Y306-S310 WeakPolarHBondContact O-CB 3.12Å; Y306-S310 PolarHBondContact O-N 3.17Å; Y306-S310 PolarHBondContact O-OG 3.33Å; S310-W312 PolarHBondContact O-N 2.81Å; S310-W312 VanDerWaalsContact O-N 3.17Å; S310-A313 PolarHBondContact O-N 2.99Å; S310-A313 PolarHBondContact OG-N 3.04Å; S310-A313 VanDerWaalsContact OG-N 3.11Å; S310-L314 WeakPolarHBondContact O-CG 2.9Å; S310-L314 PolarHBondContact O-N 2.91Å; S310-N364 WeakPolarHBondContact CA-OD1 2.92Å
311D86.3Confident87.1Confident68 Ų6832.6 Ų32.636%0.36416%0.159SC..Hα-helixtrans-56.9-32.4173.2-74.6-45.6000111.5F315 W322 H334 N364D311-F315 WeakPolarHBondContact O-CB 3.27Å; D311-F315 PolarHBondContact O-N 3.23Å; D311-W322 PolarHBondContact OD1-NE1 3.07Å; D311-H334 IonicContact OD1-CE1 4Å; D311-N364 PolarHBondContact N-OD1 3.29Å; D311-N364 PolarHBondContact OD2-ND2 3.05Å
312W86Confident86.7Confident33 Ų3332.9 Ų32.913%0.12516%0.16CC..Hα-helixtrans-60.7-50.5172.6177.985.1000111.9F276 Y306 L307 S310 L314 F315 Q316 I414 D415 H418F276-W312 AromaticContact CD1-CH2 3.59Å; F276-W312 HydrophobicContact CD1-CH2 3.59Å; F276-W312 HydrophobicContact CD1-CZ3 4.17Å; F276-W312 AromaticContact CE1-CH2 3.58Å; F276-W312 HydrophobicContact CE1-CH2 3.58Å; F276-W312 HydrophobicContact CE1-CZ2 4.12Å; F276-W312 HydrophobicContact CE1-CZ3 4.34Å; Y306-W312 HydrophobicContact CE1-CD2 4.4Å; Y306-W312 AromaticContact CE1-CE3 3.9Å; Y306-W312 HydrophobicContact CE1-CE3 3.9Å; L307-W312 HydrophobicContact CD2-CZ3 4.04Å; S310-W312 PolarHBondContact O-N 2.81Å; S310-W312 VanDerWaalsContact O-N 3.17Å; W312-L314 VanDerWaalsContact C-N 3.33Å; W312-L314 PolarHBondContact O-N 2.77Å; W312-F315 WeakPolarHBondContact O-CB 2.98Å; W312-F315 PolarHBondContact O-N 3.4Å; W312-Q316 HydrophobicContact CD2-CG 4.22Å; W312-Q316 HydrophobicContact CE3-CG 4.49Å; W312-Q316 HydrophobicContact CH2-CG 3.95Å; W312-Q316 HydrophobicContact CZ2-CG 3.65Å; W312-Q316 HydrophobicContact CZ3-CG 4.37Å; W312-Q316 WeakPolarHBondContact O-CG 3.2Å; W312-Q316 PolarHBondContact O-N 3.16Å; W312-I414 HydrophobicContact CD2-CG2 4.01Å; W312-I414 VanDerWaalsContact CE2-CG2 3.46Å; W312-I414 HydrophobicContact CE3-CG2 4.42Å; W312-I414 HydrophobicContact CH2-CG2 3.93Å; W312-I414 HydrophobicContact CZ2-CG2 3.43Å; W312-I414 VanDerWaalsContact CZ2-CG2 3.43Å; W312-I414 HydrophobicContact CZ3-CG2 4.39Å; W312-D415 PolarHBondContact NE1-OD1 3.02Å; W312-H418 HydrophobicContact CH2-CB 4.3Å; W312-H418 AromaticContact CH2-CD2 3.85Å; W312-H418 HydrophobicContact CZ2-CB 3.87Å; W312-H418 AromaticContact CZ2-CG 3.99Å
313A86.1Confident86.3Confident4 Ų437.1 Ų37.13%0.03319%0.19CC..Hα-helixtrans-63.1-40-179.600000112.2L307 S310 Q316 R317L307-A313 WeakPolarHBondContact O-CB 3.44Å; S310-A313 PolarHBondContact O-N 2.99Å; S310-A313 PolarHBondContact OG-N 3.04Å; S310-A313 VanDerWaalsContact OG-N 3.11Å; A313-Q316 PolarHBondContact O-N 3.48Å; A313-R317 WeakPolarHBondContact O-CG 3.45Å; A313-R317 PolarHBondContact O-N 3.35Å
314L86.2Confident86Confident1 Ų143.7 Ų43.71%0.00522%0.224CC..Hα-helixtrans-69.7-35.3177.2-62.2174.7000111.8S310 W312 R317 T318 W322 V333 H334 F337S310-L314 WeakPolarHBondContact O-CG 2.9Å; S310-L314 PolarHBondContact O-N 2.91Å; W312-L314 VanDerWaalsContact C-N 3.33Å; W312-L314 PolarHBondContact O-N 2.77Å; L314-R317 PolarHBondContact O-N 3.06Å; L314-T318 WeakPolarHBondContact O-CB 3.12Å; L314-T318 WeakPolarHBondContact O-CG2 3.45Å; L314-T318 PolarHBondContact O-N 3.16Å; L314-T318 PolarHBondContact O-OG1 2.66Å; L314-W322 HydrophobicContact CB-CD2 3.62Å; L314-W322 HydrophobicContact CB-CE3 3.89Å; L314-W322 HydrophobicContact CB-CG 4.05Å; L314-W322 HydrophobicContact CB-CH2 4.32Å; L314-W322 HydrophobicContact CB-CZ2 4.11Å; L314-W322 HydrophobicContact CB-CZ3 4.22Å; L314-W322 HydrophobicContact CD1-CD2 4.48Å; L314-W322 HydrophobicContact CD1-CH2 3.62Å; L314-W322 HydrophobicContact CD1-CZ2 3.4Å; L314-W322 HydrophobicContact CD1-CZ3 4.27Å; L314-W322 HydrophobicContact CG-CH2 4.45Å; L314-W322 HydrophobicContact CG-CZ2 4.36Å; L314-V333 HydrophobicContact CD2-CG1 4.14Å; L314-H334 WeakPolarHBondContact CD1-NE2 3.37Å; L314-F337 HydrophobicContact CD2-CD2 3.48Å; L314-F337 VanDerWaalsContact CD2-CD2 3.48Å; L314-F337 HydrophobicContact CD2-CE2 3.65Å; L314-F337 HydrophobicContact CD2-CG 4.46Å
315F84.4Confident85.7Confident79 Ų7947 Ų4735%0.34624%0.237SC..Hα-helixtrans-59.1-46.1169.4-172.8-90.3000111.7D311 W312 T318 N319 G320 W322D311-F315 WeakPolarHBondContact O-CB 3.27Å; D311-F315 PolarHBondContact O-N 3.23Å; W312-F315 WeakPolarHBondContact O-CB 2.98Å; W312-F315 PolarHBondContact O-N 3.4Å; F315-T318 PolarHBondContact O-N 2.9Å; F315-T318 PolarHBondContact O-OG1 3.27Å; F315-N319 PolarHBondContact O-N 3.05Å; F315-G320 VanDerWaalsContact CE2-CA 3.42Å; F315-G320 WeakPolarHBondContact CE2-O 3.47Å; F315-G320 PolarHBondContact O-N 3.37Å; F315-W322 HydrophobicContact CB-CB 4.08Å; F315-W322 HydrophobicContact CD2-CB 4.13Å
316Q82.7Confident85.6Confident40 Ų4049.7 Ų49.719%0.18725%0.254CS..Hα-helixtrans-63.7-46.2176.6-62.9-53.8-2700112.3W312 A313 T318 N319 D415 H418W312-Q316 HydrophobicContact CD2-CG 4.22Å; W312-Q316 HydrophobicContact CE3-CG 4.49Å; W312-Q316 HydrophobicContact CH2-CG 3.95Å; W312-Q316 HydrophobicContact CZ2-CG 3.65Å; W312-Q316 HydrophobicContact CZ3-CG 4.37Å; W312-Q316 WeakPolarHBondContact O-CG 3.2Å; W312-Q316 PolarHBondContact O-N 3.16Å; A313-Q316 PolarHBondContact O-N 3.48Å; Q316-T318 PolarHBondContact O-N 3.14Å; Q316-N319 PolarHBondContact O-N 3.24Å; Q316-N319 VanDerWaalsContact O-N 3.13Å; Q316-D415 PolarHBondContact NE2-OD1 3.29Å; Q316-H418 PolarHBondContact OE1-CE1 3Å; Q316-H418 PolarHBondContact OE1-ND1 2.97Å
317R81.8Confident85.4Confident108 Ų10855.5 Ų55.541%0.40828%0.283SS..Hα-helixtrans-63.7-27.5179.9-74.4179.2173.9167.82.3114N308 A313 L314N308-R317 PolarHBondContact O-NH1 3.29Å; N308-R317 PolarHBondContact OD1-NH2 2.94Å; A313-R317 WeakPolarHBondContact O-CG 3.45Å; A313-R317 PolarHBondContact O-N 3.35Å; L314-R317 PolarHBondContact O-N 3.06Å
318T80Confident85.4Confident24 Ų2463 Ų6315%0.14731%0.311CS..THydrogen-bonded Turntrans-96.711.2179.658.80000113.2L314 F315 Q316 G320 K321 W322 Y325L314-T318 WeakPolarHBondContact O-CB 3.12Å; L314-T318 WeakPolarHBondContact O-CG2 3.45Å; L314-T318 PolarHBondContact O-N 3.16Å; L314-T318 PolarHBondContact O-OG1 2.66Å; F315-T318 PolarHBondContact O-N 2.9Å; F315-T318 PolarHBondContact O-OG1 3.27Å; Q316-T318 PolarHBondContact O-N 3.14Å; T318-G320 PolarHBondContact O-N 3.47Å; T318-K321 WeakPolarHBondContact O-CB 3.41Å; T318-K321 WeakPolarHBondContact O-CG 3.35Å; T318-K321 PolarHBondContact O-N 3.47Å; T318-W322 HydrophobicContact CG2-CE3 4.14Å; T318-W322 WeakPolarHBondContact OG1-CA 3.28Å; T318-W322 WeakPolarHBondContact OG1-CB 3.28Å; T318-W322 PolarHBondContact OG1-N 2.7Å; T318-Y325 HydrophobicContact CG2-CE2 3.82Å
319N79.9Confident85.3Confident147 Ų14766.6 Ų66.679%0.78633%0.325SS*.THydrogen-bonded Turntrans51.642.9-176.2-60.9-34.9000112.3F315 Q316 K321F315-N319 PolarHBondContact O-N 3.05Å; Q316-N319 PolarHBondContact O-N 3.24Å; Q316-N319 VanDerWaalsContact O-N 3.13Å; N319-K321 PolarHBondContact O-N 3.08Å
320G80.7Confident85.1Confident23 Ų2368.3 Ų68.324%0.23733%0.333CS..THydrogen-bonded Turntrans82.13.7177.900000116.3F315 T318 W322F315-G320 VanDerWaalsContact CE2-CA 3.42Å; F315-G320 WeakPolarHBondContact CE2-O 3.47Å; F315-G320 PolarHBondContact O-N 3.37Å; T318-G320 PolarHBondContact O-N 3.47Å; G320-W322 VanDerWaalsContact C-N 3.34Å
321K81.7Confident85.1Confident117 Ų11771 Ų7151%0.50935%0.349SS..  trans-83-9-179.6-63.1179.9179.9-179.60114.1T318 N319 S323 I324 Y325T318-K321 WeakPolarHBondContact O-CB 3.41Å; T318-K321 WeakPolarHBondContact O-CG 3.35Å; T318-K321 PolarHBondContact O-N 3.47Å; N319-K321 PolarHBondContact O-N 3.08Å; K321-S323 VanDerWaalsContact C-N 3.32Å; K321-S323 PolarHBondContact O-N 3.37Å; K321-I324 WeakPolarHBondContact O-CB 3.47Å; K321-I324 PolarHBondContact O-N 3.36Å; K321-Y325 HydrophobicContact CB-CE2 3.73Å; K321-Y325 WeakPolarHBondContact O-CD2 3.48Å; K321-Y325 PolarHBondContact O-N 2.93Å
322W84.5Confident85.2Confident7 Ų772.4 Ų72.43%0.02736%0.356CS..G310 helixtrans-48.8-49.1-174-176.2-119.5000113.9D311 L314 F315 T318 G320 I324 Y325 Q330 V333 H334D311-W322 PolarHBondContact OD1-NE1 3.07Å; L314-W322 HydrophobicContact CB-CD2 3.62Å; L314-W322 HydrophobicContact CB-CE3 3.89Å; L314-W322 HydrophobicContact CB-CG 4.05Å; L314-W322 HydrophobicContact CB-CH2 4.32Å; L314-W322 HydrophobicContact CB-CZ2 4.11Å; L314-W322 HydrophobicContact CB-CZ3 4.22Å; L314-W322 HydrophobicContact CD1-CD2 4.48Å; L314-W322 HydrophobicContact CD1-CH2 3.62Å; L314-W322 HydrophobicContact CD1-CZ2 3.4Å; L314-W322 HydrophobicContact CD1-CZ3 4.27Å; L314-W322 HydrophobicContact CG-CH2 4.45Å; L314-W322 HydrophobicContact CG-CZ2 4.36Å; F315-W322 HydrophobicContact CB-CB 4.08Å; F315-W322 HydrophobicContact CD2-CB 4.13Å; T318-W322 HydrophobicContact CG2-CE3 4.14Å; T318-W322 WeakPolarHBondContact OG1-CA 3.28Å; T318-W322 WeakPolarHBondContact OG1-CB 3.28Å; T318-W322 PolarHBondContact OG1-N 2.7Å; G320-W322 VanDerWaalsContact C-N 3.34Å; W322-I324 PolarHBondContact O-N 3.44Å; W322-Y325 HydrophobicContact CE3-CD2 4.25Å; W322-Y325 PolarHBondContact O-N 3.09Å; W322-Q330 HydrophobicContact CD2-CG 4.45Å; W322-Q330 HydrophobicContact CE3-CG 4.38Å; W322-Q330 VanDerWaalsContact CH2-CA 3.46Å; W322-Q330 HydrophobicContact CH2-CB 3.6Å; W322-Q330 HydrophobicContact CH2-CG 3.79Å; W322-Q330 WeakPolarHBondContact CH2-O 3.37Å; W322-Q330 HydrophobicContact CZ2-CB 3.78Å; W322-Q330 HydrophobicContact CZ2-CG 3.81Å; W322-Q330 HydrophobicContact CZ3-CB 4.25Å; W322-Q330 HydrophobicContact CZ3-CG 4.07Å; W322-Q330 PolarHBondContact O-NE2 2.91Å; W322-V333 HydrophobicContact CH2-CB 4.07Å; W322-V333 HydrophobicContact CH2-CG1 4.14Å; W322-V333 HydrophobicContact CZ3-CB 3.81Å; W322-V333 HydrophobicContact CZ3-CG1 3.73Å; W322-V333 HydrophobicContact CZ3-CG2 4.32Å; W322-H334 AromaticContact CH2-ND1 3.68Å; W322-H334 AromaticContact CZ2-CE1 3.4Å; W322-H334 VanDerWaalsContact CZ2-CE1 3.4Å; W322-H334 WeakPolarHBondContact CZ2-CE1 3.34Å; W322-H334 AromaticContact CZ2-ND1 3.47Å; W322-H334 WeakPolarHBondContact CZ2-ND1 3.36Å
323S83.4Confident85.2Confident91 Ų9171.9 Ų71.964%0.63636%0.356SS*.G310 helixtrans-68.8-16.2-177.3-46.30000114.2K321K321-S323 VanDerWaalsContact C-N 3.32Å; K321-S323 PolarHBondContact O-N 3.37Å
324I86.5Confident85.3Confident139 Ų13972.8 Ų72.871%0.71336%0.36SS*.G310 helixtrans-90.6-21.8-178.3-53.3171.2000110.5K321 W322K321-I324 WeakPolarHBondContact O-CB 3.47Å; K321-I324 PolarHBondContact O-N 3.36Å; W322-I324 PolarHBondContact O-N 3.44Å
325Y86.4Confident85.4Confident69 Ų6977.2 Ų77.227%0.27138%0.383SS..SBendtrans-69.8142.8-177-69.6-52.8000112.6T318 K321 W322 Y329 Q330T318-Y325 HydrophobicContact CG2-CE2 3.82Å; K321-Y325 HydrophobicContact CB-CE2 3.73Å; K321-Y325 WeakPolarHBondContact O-CD2 3.48Å; K321-Y325 PolarHBondContact O-N 2.93Å; W322-Y325 HydrophobicContact CE3-CD2 4.25Å; W322-Y325 PolarHBondContact O-N 3.09Å; Y325-Y329 AromaticContact CD1-CD1 3.74Å; Y325-Y329 HydrophobicContact CD1-CD1 3.74Å; Y325-Y329 AromaticContact CD1-CE1 3.88Å; Y325-Y329 HydrophobicContact CD1-CE1 3.88Å; Y325-Y329 AromaticContact CD2-CD1 3.89Å; Y325-Y329 HydrophobicContact CD2-CD1 3.89Å; Y325-Y329 AromaticContact CD2-CE1 3.83Å; Y325-Y329 HydrophobicContact CD2-CE1 3.83Å; Y325-Y329 HydrophobicContact CE1-CD1 4.32Å; Y325-Y329 AromaticContact CE1-CE1 3.99Å; Y325-Y329 HydrophobicContact CE1-CE1 3.99Å; Y325-Y329 HydrophobicContact CE2-CD1 4.46Å; Y325-Y329 AromaticContact CE2-CE1 3.95Å; Y325-Y329 HydrophobicContact CE2-CE1 3.95Å; Y325-Y329 AromaticContact CG-CD1 3.51Å; Y325-Y329 HydrophobicContact CG-CD1 3.51Å; Y325-Y329 AromaticContact CG-CE1 3.82Å; Y325-Y329 HydrophobicContact CG-CE1 3.82Å; Y325-Q330 PolarHBondContact O-NE2 3.1Å
326P89.9Confident85.6Confident58 Ų5881.8 Ų81.838%0.37740%0.398SS..  trans-66.6152.217629.7-35.6000111.1W328 Y329 Q330P326-W328 HydrophobicContact CB-CG 4.5Å; P326-W328 HydrophobicContact CG-CD2 4.28Å; P326-W328 VanDerWaalsContact CG-CE2 3.5Å; P326-W328 HydrophobicContact CG-CG 4.49Å; P326-W328 HydrophobicContact CG-CZ2 3.79Å; P326-W328 VanDerWaalsContact CG-NE1 3.27Å; P326-W328 PolarHBondContact O-N 3.33Å; P326-W328 VanDerWaalsContact O-N 3.13Å; P326-Y329 WeakPolarHBondContact O-CB 3.41Å; P326-Y329 PolarHBondContact O-N 2.95Å; P326-Q330 PolarHBondContact O-N 3.32Å; P326-Q330 VanDerWaalsContact O-N 3.09Å
327M87.6Confident85.9Confident135 Ų13581.7 Ų81.767%0.66540%0.397SS*.Hα-helixtrans-53.9-38.3-174.3-170.263.9-171.300113.7Y329 Q330 T331M327-Y329 VanDerWaalsContact C-N 3.31Å; M327-Y329 PolarHBondContact O-N 2.95Å; M327-Q330 PolarHBondContact O-N 3.37Å; M327-T331 WeakPolarHBondContact O-CB 3.3Å; M327-T331 PolarHBondContact O-N 2.68Å; M327-T331 PolarHBondContact O-OG1 3.39Å
328W90.2Very high86.3Confident167 Ų16778.4 Ų78.463%0.63339%0.387SS*.Hα-helixtrans-62.8-38.5177.965.5-100.6000111.7P326 T331 I332P326-W328 HydrophobicContact CB-CG 4.5Å; P326-W328 HydrophobicContact CG-CD2 4.28Å; P326-W328 VanDerWaalsContact CG-CE2 3.5Å; P326-W328 HydrophobicContact CG-CG 4.49Å; P326-W328 HydrophobicContact CG-CZ2 3.79Å; P326-W328 VanDerWaalsContact CG-NE1 3.27Å; P326-W328 PolarHBondContact O-N 3.33Å; P326-W328 VanDerWaalsContact O-N 3.13Å; W328-T331 PolarHBondContact O-N 2.75Å; W328-I332 HydrophobicContact CE3-CD1 3.72Å; W328-I332 HydrophobicContact CZ3-CD1 3.94Å; W328-I332 WeakPolarHBondContact O-CG1 3.21Å; W328-I332 PolarHBondContact O-N 3.46Å; W328-I332 VanDerWaalsContact O-N 3.16Å
329Y87.6Confident86.8Confident87 Ų8780.9 Ų80.934%0.34141%0.406SS..Hα-helixtrans-72.8-42.7178.5-175.3-96.7000111Y325 P326 M327 T331 I332 V333Y325-Y329 AromaticContact CD1-CD1 3.74Å; Y325-Y329 HydrophobicContact CD1-CD1 3.74Å; Y325-Y329 AromaticContact CD1-CE1 3.88Å; Y325-Y329 HydrophobicContact CD1-CE1 3.88Å; Y325-Y329 AromaticContact CD2-CD1 3.89Å; Y325-Y329 HydrophobicContact CD2-CD1 3.89Å; Y325-Y329 AromaticContact CD2-CE1 3.83Å; Y325-Y329 HydrophobicContact CD2-CE1 3.83Å; Y325-Y329 HydrophobicContact CE1-CD1 4.32Å; Y325-Y329 AromaticContact CE1-CE1 3.99Å; Y325-Y329 HydrophobicContact CE1-CE1 3.99Å; Y325-Y329 HydrophobicContact CE2-CD1 4.46Å; Y325-Y329 AromaticContact CE2-CE1 3.95Å; Y325-Y329 HydrophobicContact CE2-CE1 3.95Å; Y325-Y329 AromaticContact CG-CD1 3.51Å; Y325-Y329 HydrophobicContact CG-CD1 3.51Å; Y325-Y329 AromaticContact CG-CE1 3.82Å; Y325-Y329 HydrophobicContact CG-CE1 3.82Å; P326-Y329 WeakPolarHBondContact O-CB 3.41Å; P326-Y329 PolarHBondContact O-N 2.95Å; M327-Y329 VanDerWaalsContact C-N 3.31Å; M327-Y329 PolarHBondContact O-N 2.95Å; Y329-T331 PolarHBondContact O-N 3.44Å; Y329-I332 PolarHBondContact O-N 3.38Å; Y329-V333 HydrophobicContact CD1-CG2 4.08Å; Y329-V333 HydrophobicContact CE1-CG2 3.71Å; Y329-V333 WeakPolarHBondContact O-CG2 3.43Å; Y329-V333 PolarHBondContact O-N 3.44Å
330Q87.7Confident87.2Confident36 Ų3677.5 Ų77.517%0.16839%0.385CS..Hα-helixtrans-57.4-40.4173.6-69179.8-15.500111.6W322 Y325 P326 M327 V333 H334W322-Q330 HydrophobicContact CD2-CG 4.45Å; W322-Q330 HydrophobicContact CE3-CG 4.38Å; W322-Q330 VanDerWaalsContact CH2-CA 3.46Å; W322-Q330 HydrophobicContact CH2-CB 3.6Å; W322-Q330 HydrophobicContact CH2-CG 3.79Å; W322-Q330 WeakPolarHBondContact CH2-O 3.37Å; W322-Q330 HydrophobicContact CZ2-CB 3.78Å; W322-Q330 HydrophobicContact CZ2-CG 3.81Å; W322-Q330 HydrophobicContact CZ3-CB 4.25Å; W322-Q330 HydrophobicContact CZ3-CG 4.07Å; W322-Q330 PolarHBondContact O-NE2 2.91Å; Y325-Q330 PolarHBondContact O-NE2 3.1Å; P326-Q330 PolarHBondContact O-N 3.32Å; P326-Q330 VanDerWaalsContact O-N 3.09Å; M327-Q330 PolarHBondContact O-N 3.37Å; Q330-V333 PolarHBondContact O-N 2.97Å; Q330-H334 WeakPolarHBondContact O-CB 3.45Å; Q330-H334 PolarHBondContact O-N 3.38Å; Q330-H334 PolarHBondContact O-ND1 3.17Å
331T87.6Confident87.7Confident57 Ų5776.6 Ų76.635%0.3538%0.375SS..Hα-helixtrans-64.3-42.2177.7-56.20000111.8M327 W328 Y329 H334 N335M327-T331 WeakPolarHBondContact O-CB 3.3Å; M327-T331 PolarHBondContact O-N 2.68Å; M327-T331 PolarHBondContact O-OG1 3.39Å; W328-T331 PolarHBondContact O-N 2.75Å; Y329-T331 PolarHBondContact O-N 3.44Å; T331-H334 PolarHBondContact O-N 2.93Å; T331-N335 WeakPolarHBondContact O-CB 3.46Å; T331-N335 VanDerWaalsContact O-CG 3.24Å; T331-N335 PolarHBondContact O-N 3.42Å; T331-N335 PolarHBondContact O-ND2 2.77Å
332I88.1Confident88Confident99 Ų9974.5 Ų74.551%0.50837%0.37SS..Hα-helixtrans-61.5-47.1176.4-68.2167000110.8W328 Y329 N335 R336W328-I332 HydrophobicContact CE3-CD1 3.72Å; W328-I332 HydrophobicContact CZ3-CD1 3.94Å; W328-I332 WeakPolarHBondContact O-CG1 3.21Å; W328-I332 PolarHBondContact O-N 3.46Å; W328-I332 VanDerWaalsContact O-N 3.16Å; Y329-I332 PolarHBondContact O-N 3.38Å; I332-N335 PolarHBondContact O-N 3.26Å; I332-R336 PolarHBondContact O-N 2.9Å
333V85.7Confident88.3Confident21 Ų2181.7 Ų81.713%0.12740%0.403CS..Hα-helixtrans-64.2-45.3179.6175.50000111L314 W322 Y329 Q330 R336 F337L314-V333 HydrophobicContact CD2-CG1 4.14Å; W322-V333 HydrophobicContact CH2-CB 4.07Å; W322-V333 HydrophobicContact CH2-CG1 4.14Å; W322-V333 HydrophobicContact CZ3-CB 3.81Å; W322-V333 HydrophobicContact CZ3-CG1 3.73Å; W322-V333 HydrophobicContact CZ3-CG2 4.32Å; Y329-V333 HydrophobicContact CD1-CG2 4.08Å; Y329-V333 HydrophobicContact CE1-CG2 3.71Å; Y329-V333 WeakPolarHBondContact O-CG2 3.43Å; Y329-V333 PolarHBondContact O-N 3.44Å; Q330-V333 PolarHBondContact O-N 2.97Å; V333-R336 PolarHBondContact O-N 3.13Å; V333-F337 HydrophobicContact CG1-CD2 3.74Å; V333-F337 HydrophobicContact CG1-CE2 3.55Å; V333-F337 VanDerWaalsContact O-CD2 3.27Å; V333-F337 WeakPolarHBondContact O-CD2 3.48Å; V333-F337 PolarHBondContact O-N 3.15Å; V333-F337 VanDerWaalsContact O-N 3.13Å
334H88.3Confident88.6Confident24 Ų2481.8 Ų81.811%0.11139%0.394CS..Hα-helixtrans-56.5-50.8174.1-94.8113.9000111.8L309 D311 L314 W322 Q330 T331 R336 F337 L338L309-H334 PolarHBondContact O-NE2 3.46Å; D311-H334 IonicContact OD1-CE1 4Å; L314-H334 WeakPolarHBondContact CD1-NE2 3.37Å; W322-H334 AromaticContact CH2-ND1 3.68Å; W322-H334 AromaticContact CZ2-CE1 3.4Å; W322-H334 VanDerWaalsContact CZ2-CE1 3.4Å; W322-H334 WeakPolarHBondContact CZ2-CE1 3.34Å; W322-H334 AromaticContact CZ2-ND1 3.47Å; W322-H334 WeakPolarHBondContact CZ2-ND1 3.36Å; Q330-H334 WeakPolarHBondContact O-CB 3.45Å; Q330-H334 PolarHBondContact O-N 3.38Å; Q330-H334 PolarHBondContact O-ND1 3.17Å; T331-H334 PolarHBondContact O-N 2.93Å; H334-R336 VanDerWaalsContact C-N 3.26Å; H334-R336 PolarHBondContact O-N 3.06Å; H334-F337 PolarHBondContact O-N 3.31Å; H334-L338 WeakPolarHBondContact O-CB 3.48Å; H334-L338 PolarHBondContact O-N 3.22Å
335N88.7Confident88.7Confident94 Ų9475.3 Ų75.350%0.50336%0.36SS..Hα-helixtrans-61.3-36.2-178.6-75.1-18.1000112.2T331 I332 S339T331-N335 WeakPolarHBondContact O-CB 3.46Å; T331-N335 VanDerWaalsContact O-CG 3.24Å; T331-N335 PolarHBondContact O-N 3.42Å; T331-N335 PolarHBondContact O-ND2 2.77Å; I332-N335 PolarHBondContact O-N 3.26Å; N335-S339 WeakPolarHBondContact O-CB 3.33Å; N335-S339 PolarHBondContact O-N 3.24Å
336R89.4Confident88.8Confident174 Ų17472.9 Ų72.966%0.65736%0.357SS*.Hα-helixtrans-61.7-51.1174.7-178.6178.6177.3171.20111.5I332 V333 H334 S339 Q340I332-R336 PolarHBondContact O-N 2.9Å; V333-R336 PolarHBondContact O-N 3.13Å; H334-R336 VanDerWaalsContact C-N 3.26Å; H334-R336 PolarHBondContact O-N 3.06Å; R336-S339 PolarHBondContact O-N 3.19Å; R336-Q340 WeakPolarHBondContact O-CG 3.3Å; R336-Q340 PolarHBondContact O-N 3.17Å
337F88.1Confident88.8Confident38 Ų3873.9 Ų73.917%0.16736%0.363CS..Hα-helixtrans-70.9-34.5179.7-71.5-59.5000112.5L309 L314 V333 H334 S339 Q340 V341L309-F337 HydrophobicContact CD2-CB 3.68Å; L314-F337 HydrophobicContact CD2-CD2 3.48Å; L314-F337 VanDerWaalsContact CD2-CD2 3.48Å; L314-F337 HydrophobicContact CD2-CE2 3.65Å; L314-F337 HydrophobicContact CD2-CG 4.46Å; V333-F337 HydrophobicContact CG1-CD2 3.74Å; V333-F337 HydrophobicContact CG1-CE2 3.55Å; V333-F337 VanDerWaalsContact O-CD2 3.27Å; V333-F337 WeakPolarHBondContact O-CD2 3.48Å; V333-F337 PolarHBondContact O-N 3.15Å; V333-F337 VanDerWaalsContact O-N 3.13Å; H334-F337 PolarHBondContact O-N 3.31Å; F337-S339 VanDerWaalsContact C-N 3.32Å; F337-S339 PolarHBondContact O-N 3.22Å; F337-Q340 VanDerWaalsContact CD1-OE1 3.27Å; F337-Q340 PolarHBondContact O-N 3.12Å; F337-V341 WeakPolarHBondContact O-CB 3.42Å; F337-V341 WeakPolarHBondContact O-CG2 3.48Å; F337-V341 PolarHBondContact O-N 2.79Å
338L90.4Very high88.8Confident39 Ų3967.8 Ų67.820%0.20433%0.333CS..Hα-helixtrans-61.5-43175-17965.6000110.9L309 H334 V341 N342 L359 V360L309-L338 HydrophobicContact CD1-CD1 3.93Å; L309-L338 HydrophobicContact CD2-CB 4.32Å; H334-L338 WeakPolarHBondContact O-CB 3.48Å; H334-L338 PolarHBondContact O-N 3.22Å; L338-V341 PolarHBondContact O-N 3.46Å; L338-N342 WeakPolarHBondContact O-CB 3.49Å; L338-N342 PolarHBondContact O-N 2.95Å; L338-N342 PolarHBondContact O-ND2 2.81Å; L338-L359 HydrophobicContact CD1-CB 3.85Å; L338-L359 HydrophobicContact CD1-CD1 3.84Å; L338-L359 HydrophobicContact CD1-CG 4.31Å; L338-V360 HydrophobicContact CD1-CG2 4.47Å
339S89.6Confident88.8Confident76 Ų7660.5 Ų60.553%0.53131%0.307SS..Hα-helixtrans-59-47.5174.2-169.90000111.5N335 R336 F337 V341 N342 E343N335-S339 WeakPolarHBondContact O-CB 3.33Å; N335-S339 PolarHBondContact O-N 3.24Å; R336-S339 PolarHBondContact O-N 3.19Å; F337-S339 VanDerWaalsContact C-N 3.32Å; F337-S339 PolarHBondContact O-N 3.22Å; S339-V341 PolarHBondContact O-N 3.05Å; S339-N342 PolarHBondContact O-N 2.72Å; S339-E343 PolarHBondContact O-N 3.19Å
340Q89.5Confident88.8Confident77 Ų7762.6 Ų62.636%0.3632%0.319SS..Hα-helixtrans-61.9-43.6177.9-70178.2-21.200112.6R336 F337 E343 Q344R336-Q340 WeakPolarHBondContact O-CG 3.3Å; R336-Q340 PolarHBondContact O-N 3.17Å; F337-Q340 VanDerWaalsContact CD1-OE1 3.27Å; F337-Q340 PolarHBondContact O-N 3.12Å; Q340-E343 PolarHBondContact O-N 3.17Å; Q340-Q344 WeakPolarHBondContact O-CB 3.43Å; Q340-Q344 VanDerWaalsContact O-CG 3.31Å; Q340-Q344 WeakPolarHBondContact O-CG 3.35Å; Q340-Q344 PolarHBondContact O-N 3.42Å
341V90.1Very high88.9Confident3 Ų368.7 Ų68.72%0.01834%0.341CS..Hα-helixtrans-62.9-44.9176.3165.50000110.6F304 I305 N308 L309 F337 L338 S339 E343 Q344 I345 L359F304-V341 HydrophobicContact CE1-CB 4.35Å; F304-V341 HydrophobicContact CE1-CG1 4Å; F304-V341 HydrophobicContact CE1-CG2 4.01Å; F304-V341 HydrophobicContact CZ-CG2 4.38Å; I305-V341 HydrophobicContact CG1-CG1 4.45Å; N308-V341 HydrophobicContact CB-CG2 3.76Å; L309-V341 HydrophobicContact CD1-CB 4.29Å; L309-V341 HydrophobicContact CD1-CG1 4.14Å; L309-V341 HydrophobicContact CD1-CG2 4.18Å; L309-V341 HydrophobicContact CD2-CG2 4.3Å; L309-V341 HydrophobicContact CG-CG2 4.07Å; F337-V341 WeakPolarHBondContact O-CB 3.42Å; F337-V341 WeakPolarHBondContact O-CG2 3.48Å; F337-V341 PolarHBondContact O-N 2.79Å; L338-V341 PolarHBondContact O-N 3.46Å; S339-V341 PolarHBondContact O-N 3.05Å; V341-E343 VanDerWaalsContact C-N 3.34Å; V341-E343 PolarHBondContact O-N 3.29Å; V341-Q344 PolarHBondContact O-N 3.2Å; V341-I345 HydrophobicContact CG1-CG2 4.01Å; V341-I345 WeakPolarHBondContact O-CG2 3.4Å; V341-I345 PolarHBondContact O-N 3.03Å; V341-L359 HydrophobicContact CG1-CD1 4.06Å
342N89.8Confident88.9Confident74 Ų7467.9 Ų67.940%0.39633%0.334SS..Hα-helixtrans-63-39.3178.2-79.2-27.8000112.6L338 S339 G346 L359L338-N342 WeakPolarHBondContact O-CB 3.49Å; L338-N342 PolarHBondContact O-N 2.95Å; L338-N342 PolarHBondContact O-ND2 2.81Å; S339-N342 PolarHBondContact O-N 2.72Å; N342-G346 WeakPolarHBondContact O-CA 3.21Å; N342-G346 PolarHBondContact O-N 3.44Å; N342-L359 WeakPolarHBondContact OD1-CD1 3.27Å
343E90.4Very high88.8Confident158 Ų15865 Ų6574%0.73832%0.321SS*.Hα-helixtrans-63-42.9174.9-173.1-179.3176.400111.6S339 Q340 V341S339-E343 PolarHBondContact O-N 3.19Å; Q340-E343 PolarHBondContact O-N 3.17Å; V341-E343 VanDerWaalsContact C-N 3.34Å; V341-E343 PolarHBondContact O-N 3.29Å
344Q88.5Confident88.5Confident93 Ų9368.9 Ų68.944%0.43535%0.347SS..Hα-helixtrans-77.9-41.8-174.4-73.9-179.8-3.800113.9M282 F304 Q340 V341M282-Q344 HydrophobicContact SD-CB 3.75Å; M282-Q344 HydrophobicContact SD-CG 4.18Å; F304-Q344 HydrophobicContact CZ-CB 4.38Å; F304-Q344 VanDerWaalsContact CZ-OE1 3.27Å; Q340-Q344 WeakPolarHBondContact O-CB 3.43Å; Q340-Q344 VanDerWaalsContact O-CG 3.31Å; Q340-Q344 WeakPolarHBondContact O-CG 3.35Å; Q340-Q344 PolarHBondContact O-N 3.42Å; V341-Q344 PolarHBondContact O-N 3.2Å
345I89.8Confident88.4Confident2 Ų276.1 Ų76.11%0.0138%0.378CS..Hα-helixtrans-128.2-8.1-170.3-149.4158.2000114.2M282 I301 F304 V341 L348 I349M282-I345 HydrophobicContact CG-CD1 4.38Å; I301-I345 HydrophobicContact CB-CD1 4.36Å; I301-I345 HydrophobicContact CG1-CD1 3.6Å; I301-I345 HydrophobicContact CG1-CG1 4.15Å; F304-I345 HydrophobicContact CD1-CB 4.39Å; F304-I345 HydrophobicContact CD1-CD1 3.83Å; F304-I345 HydrophobicContact CD1-CG2 3.99Å; F304-I345 HydrophobicContact CE1-CB 4.12Å; F304-I345 HydrophobicContact CE1-CD1 4.3Å; F304-I345 HydrophobicContact CE1-CG2 3.81Å; F304-I345 HydrophobicContact CG-CD1 4.3Å; V341-I345 HydrophobicContact CG1-CG2 4.01Å; V341-I345 WeakPolarHBondContact O-CG2 3.4Å; V341-I345 PolarHBondContact O-N 3.03Å; I345-L348 HydrophobicContact CD1-CD2 4.39Å; I345-L348 HydrophobicContact CG1-CB 4.11Å; I345-L348 HydrophobicContact CG1-CD2 4.03Å; I345-L348 WeakPolarHBondContact O-CA 3.02Å; I345-L348 WeakPolarHBondContact O-CB 2.97Å; I345-L348 PolarHBondContact O-N 3.2Å; I345-I349 HydrophobicContact CG2-CD1 3.62Å; I345-I349 HydrophobicContact CG2-CG1 4.09Å; I345-I349 PolarHBondContact O-N 3.32Å
346G87.9Confident88Confident19 Ų1981.6 Ų81.620%0.19639%0.393CS..Hα-helixtrans-51.3-44.9179.800000114.2N342 L348 I349 H350N342-G346 WeakPolarHBondContact O-CA 3.21Å; N342-G346 PolarHBondContact O-N 3.44Å; G346-L348 VanDerWaalsContact C-N 3.29Å; G346-L348 PolarHBondContact O-N 3.02Å; G346-I349 PolarHBondContact O-N 3.44Å; G346-H350 PolarHBondContact O-N 2.95Å
347P89Confident87.6Confident78 Ų7875.4 Ų75.451%0.50637%0.372SS..Hα-helixtrans-60.5-36175.7-25.635.1000113.6R351P347-R351 VanDerWaalsContact O-CG 3.31Å; P347-R351 WeakPolarHBondContact O-CG 3.17Å; P347-R351 PolarHBondContact O-N 3.26Å
348L89.4Confident87.5Confident7 Ų776 Ų764%0.03738%0.378CS..Hα-helixtrans-72.7-42.7178-17963.8000111.1A285 L286 Y289 I301 I345 G346 H350 R351 L352A285-L348 HydrophobicContact CB-CD2 3.94Å; L286-L348 HydrophobicContact CD2-CB 4.42Å; L286-L348 HydrophobicContact CD2-CD2 3.96Å; L286-L348 HydrophobicContact CG-CD2 4.35Å; Y289-L348 HydrophobicContact CD1-CD1 3.88Å; Y289-L348 HydrophobicContact CD2-CD1 3.63Å; Y289-L348 HydrophobicContact CE1-CD1 4.46Å; Y289-L348 HydrophobicContact CE2-CD1 4.24Å; Y289-L348 HydrophobicContact CG-CD1 3.43Å; Y289-L348 VanDerWaalsContact CG-CD1 3.43Å; I301-L348 HydrophobicContact CD1-CD2 3.79Å; I301-L348 HydrophobicContact CD1-CG 3.94Å; I301-L348 HydrophobicContact CG1-CD2 4.16Å; I345-L348 HydrophobicContact CD1-CD2 4.39Å; I345-L348 HydrophobicContact CG1-CB 4.11Å; I345-L348 HydrophobicContact CG1-CD2 4.03Å; I345-L348 WeakPolarHBondContact O-CA 3.02Å; I345-L348 WeakPolarHBondContact O-CB 2.97Å; I345-L348 PolarHBondContact O-N 3.2Å; G346-L348 VanDerWaalsContact C-N 3.29Å; G346-L348 PolarHBondContact O-N 3.02Å; L348-H350 PolarHBondContact O-N 3.33Å; L348-R351 PolarHBondContact O-N 3.21Å; L348-L352 HydrophobicContact CD1-CD1 4.34Å; L348-L352 HydrophobicContact CG-CD1 4.23Å; L348-L352 PolarHBondContact O-N 3.46Å; L348-L352 VanDerWaalsContact O-N 3.13Å
349I88.9Confident87.3Confident15 Ų1574.8 Ų74.88%0.07737%0.371CS..Hα-helixtrans-58.6-48.2175.7-66.6178.8000110.3W298 I301 I305 I345 G346 R351 L352 T353 L359W298-I349 HydrophobicContact CZ3-CG2 4.48Å; I301-I349 HydrophobicContact CD1-CG1 4.47Å; I301-I349 HydrophobicContact CG2-CD1 3.97Å; I301-I349 HydrophobicContact CG2-CG1 3.84Å; I305-I349 HydrophobicContact CD1-CD1 4.09Å; I345-I349 HydrophobicContact CG2-CD1 3.62Å; I345-I349 HydrophobicContact CG2-CG1 4.09Å; I345-I349 PolarHBondContact O-N 3.32Å; G346-I349 PolarHBondContact O-N 3.44Å; I349-R351 VanDerWaalsContact C-N 3.26Å; I349-R351 PolarHBondContact O-N 2.92Å; I349-L352 PolarHBondContact O-N 3.46Å; I349-L352 VanDerWaalsContact O-N 3.14Å; I349-T353 PolarHBondContact O-N 3.36Å; I349-T353 PolarHBondContact O-OG1 2.97Å; I349-T353 VanDerWaalsContact O-OG1 3.08Å; I349-L359 HydrophobicContact CD1-CD1 4.39Å; I349-L359 HydrophobicContact CD1-CD2 3.82Å
350H88.6Confident87Confident131 Ų13172.9 Ų72.961%0.60636%0.356SS*.Hα-helixtrans-59.9-36179.5-177.7-80.5000112.7G346 L348 T353G346-H350 PolarHBondContact O-N 2.95Å; L348-H350 PolarHBondContact O-N 3.33Å; H350-T353 CarbonylContact O-C 3.54Å
351R89Confident86.8Confident163 Ų16376.6 Ų76.662%0.61537%0.371SS*.Hα-helixtrans-70.1-33.7177.1-72.4176.5-167178.52113.1Y289 P347 L348 I349Y289-R351 HydrophobicContact CE2-CB 4.33Å; Y289-R351 WeakPolarHBondContact OH-CD 3.48Å; P347-R351 VanDerWaalsContact O-CG 3.31Å; P347-R351 WeakPolarHBondContact O-CG 3.17Å; P347-R351 PolarHBondContact O-N 3.26Å; L348-R351 PolarHBondContact O-N 3.21Å; I349-R351 VanDerWaalsContact C-N 3.26Å; I349-R351 PolarHBondContact O-N 2.92Å
352L88Confident86.6Confident41 Ų4178 Ų7822%0.21538%0.38CS..Hα-helixtrans-84-38.8179.6-70.4172.3000112.2Y289 T294 W298 I301 L348 I349Y289-L352 HydrophobicContact CD2-CD2 3.93Å; Y289-L352 HydrophobicContact CD2-CG 4.35Å; Y289-L352 HydrophobicContact CE2-CD2 4.09Å; Y289-L352 HydrophobicContact CE2-CG 4.5Å; T294-L352 HydrophobicContact CG2-CD2 4Å; W298-L352 HydrophobicContact CE3-CB 4.18Å; W298-L352 HydrophobicContact CE3-CD1 4.03Å; W298-L352 HydrophobicContact CZ3-CB 4.37Å; I301-L352 HydrophobicContact CD1-CD1 3.35Å; L348-L352 HydrophobicContact CD1-CD1 4.34Å; L348-L352 HydrophobicContact CG-CD1 4.23Å; L348-L352 PolarHBondContact O-N 3.46Å; L348-L352 VanDerWaalsContact O-N 3.13Å; I349-L352 PolarHBondContact O-N 3.46Å; I349-L352 VanDerWaalsContact O-N 3.14Å
353T85.9Confident86.4Confident37 Ų3774.5 Ų74.523%0.22736%0.361CS..  trans-136.798.6-178.153.30000109.7W298 I349 H350 K355 I357W298-T353 HydrophobicContact CE3-CG2 4.41Å; W298-T353 HydrophobicContact CH2-CG2 3.73Å; W298-T353 HydrophobicContact CZ2-CG2 4.29Å; W298-T353 HydrophobicContact CZ3-CG2 3.79Å; I349-T353 PolarHBondContact O-N 3.36Å; I349-T353 PolarHBondContact O-OG1 2.97Å; I349-T353 VanDerWaalsContact O-OG1 3.08Å; H350-T353 CarbonylContact O-C 3.54Å; T353-K355 PolarHBondContact O-N 3.01Å; T353-K355 VanDerWaalsContact O-N 3.13Å; T353-I357 HydrophobicContact CG2-CD1 4.14Å; T353-I357 WeakPolarHBondContact OG1-CD1 3.14Å
354P79.7Confident86.1Confident104 Ų10470.5 Ų70.568%0.67535%0.345SS*.  trans-73.1-1.2-17927.4-34.2000114
355K85.1Confident86.1Confident176 Ų17667.6 Ų67.677%0.76534%0.335SS*.SBendtrans-86146.9176.1-64.1-174.8179.7-179.30110.1T353 I357T353-K355 PolarHBondContact O-N 3.01Å; T353-K355 VanDerWaalsContact O-N 3.13Å; K355-I357 PolarHBondContact O-N 2.95Å
356Y81.2Confident85.7Confident208 Ų20873 Ų7382%0.81636%0.358SS*.  trans-59.2130.3170.8177.2-96.4000110.3D358Y356-D358 HydrophobicContact CE1-CB 4.4Å
357I81.3Confident85.4Confident44 Ų4477.7 Ų77.723%0.22638%0.375CS..  trans-124.8126.8177.6-65174.2000107.8W298 T353 K355 L359 V362W298-I357 HydrophobicContact CH2-CD1 3.73Å; W298-I357 HydrophobicContact CZ2-CD1 4.36Å; T353-I357 HydrophobicContact CG2-CD1 4.14Å; T353-I357 WeakPolarHBondContact OG1-CD1 3.14Å; K355-I357 PolarHBondContact O-N 2.95Å; I357-L359 HydrophobicContact CG2-CD2 4.21Å; I357-L359 PolarHBondContact O-N 3.28Å; I357-L359 VanDerWaalsContact O-N 3.1Å; I357-V362 HydrophobicContact CG2-CB 4.41Å; I357-V362 HydrophobicContact CG2-CG2 3.46Å; I357-V362 VanDerWaalsContact CG2-CG2 3.46Å
358D84.5Confident85.1Confident52 Ų5274 Ų7428%0.27835%0.351SS..  trans-74.497.1169.7-175.1-21.5000109.2Y356 V360 K361 V362Y356-D358 HydrophobicContact CE1-CB 4.4Å; D358-V360 PolarHBondContact O-N 3.44Å; D358-V360 PolarHBondContact OD1-N 3.45Å; D358-K361 HydrophobicContact CB-CB 4.11Å; D358-K361 HydrophobicContact CB-CD 4.12Å; D358-K361 HydrophobicContact CB-CG 4.27Å; D358-K361 PolarHBondContact O-N 3.29Å; D358-K361 PolarHBondContact OD1-N 3.16Å; D358-K361 WeakPolarHBondContact OD2-CD 3.3Å; D358-K361 WeakPolarHBondContact OD2-CE 3.5Å; D358-K361 VanDerWaalsContact OD2-CG 3.31Å; D358-K361 WeakPolarHBondContact OD2-CG 3.1Å; D358-K361 IonicContact OD2-NZ 3.47Å; D358-K361 PolarHBondContact OD2-NZ 3.45Å; D358-V362 WeakPolarHBondContact O-CG2 3.45Å; D358-V362 PolarHBondContact O-N 3.43Å
359L86.7Confident84.7Confident13 Ų1375.6 Ų75.67%0.06836%0.358CS..Hα-helixtrans-61.8-30.7-175.8-61.4-178.5000112.8I305 L309 L338 V341 N342 I349 I357 V362 A363I305-L359 HydrophobicContact CD1-CD2 3.82Å; L309-L359 HydrophobicContact CD1-CB 3.94Å; L338-L359 HydrophobicContact CD1-CB 3.85Å; L338-L359 HydrophobicContact CD1-CD1 3.84Å; L338-L359 HydrophobicContact CD1-CG 4.31Å; V341-L359 HydrophobicContact CG1-CD1 4.06Å; N342-L359 WeakPolarHBondContact OD1-CD1 3.27Å; I349-L359 HydrophobicContact CD1-CD1 4.39Å; I349-L359 HydrophobicContact CD1-CD2 3.82Å; I357-L359 HydrophobicContact CG2-CD2 4.21Å; I357-L359 PolarHBondContact O-N 3.28Å; I357-L359 VanDerWaalsContact O-N 3.1Å; L359-V362 PolarHBondContact O-N 3.08Å; L359-A363 VanDerWaalsContact O-CB 3.3Å; L359-A363 WeakPolarHBondContact O-CB 3Å; L359-A363 PolarHBondContact O-N 3.2Å
360V83.1Confident84.4Confident36 Ų3678 Ų7822%0.21837%0.371CS..Hα-helixtrans-70.7-44179.4-179.80000109.9L338 D358 V362 A363 N364L338-V360 HydrophobicContact CD1-CG2 4.47Å; D358-V360 PolarHBondContact O-N 3.44Å; D358-V360 PolarHBondContact OD1-N 3.45Å; V360-V362 VanDerWaalsContact C-N 3.33Å; V360-V362 PolarHBondContact O-N 3.37Å; V360-A363 PolarHBondContact O-N 3.3Å; V360-N364 PolarHBondContact O-N 3.24Å
361K85.5Confident84Confident154 Ų15472.1 Ų72.167%0.6734%0.344SS*.Hα-helixtrans-63.3-39.7173.3-73.3-179.5-171.4163.90112.4D358 S365D358-K361 HydrophobicContact CB-CB 4.11Å; D358-K361 HydrophobicContact CB-CD 4.12Å; D358-K361 HydrophobicContact CB-CG 4.27Å; D358-K361 PolarHBondContact O-N 3.29Å; D358-K361 PolarHBondContact OD1-N 3.16Å; D358-K361 WeakPolarHBondContact OD2-CD 3.3Å; D358-K361 WeakPolarHBondContact OD2-CE 3.5Å; D358-K361 VanDerWaalsContact OD2-CG 3.31Å; D358-K361 WeakPolarHBondContact OD2-CG 3.1Å; D358-K361 IonicContact OD2-NZ 3.47Å; D358-K361 PolarHBondContact OD2-NZ 3.45Å; K361-S365 PolarHBondContact O-N 2.74Å
362V86.3Confident83.8Confident34 Ų3464.3 Ų64.321%0.20632%0.315CS..Hα-helixtrans-66.5-41.5176.4172.30000111L302 I357 D358 L359 V360 N364 S365 C368L302-V362 HydrophobicContact CD2-CG1 3.76Å; I357-V362 HydrophobicContact CG2-CB 4.41Å; I357-V362 HydrophobicContact CG2-CG2 3.46Å; I357-V362 VanDerWaalsContact CG2-CG2 3.46Å; D358-V362 WeakPolarHBondContact O-CG2 3.45Å; D358-V362 PolarHBondContact O-N 3.43Å; L359-V362 PolarHBondContact O-N 3.08Å; V360-V362 VanDerWaalsContact C-N 3.33Å; V360-V362 PolarHBondContact O-N 3.37Å; V362-N364 VanDerWaalsContact C-N 3.28Å; V362-N364 PolarHBondContact O-N 3.19Å; V362-S365 WeakPolarHBondContact O-CB 3.25Å; V362-S365 PolarHBondContact O-N 3.36Å; V362-S365 PolarHBondContact O-OG 2.9Å; V362-C368 PolarHBondContact O-SG 2.96Å
363A85.5Confident83.4Confident0 Ų063.4 Ų63.40%031%0.31CS..Hα-helixtrans-57.6-4117800000112.7I305 Y306 L309 L359 V360 S365I305-A363 HydrophobicContact CG2-CB 3.53Å; Y306-A363 WeakPolarHBondContact CD2-O 3.14Å; L309-A363 HydrophobicContact CB-CB 3.66Å; L359-A363 VanDerWaalsContact O-CB 3.3Å; L359-A363 WeakPolarHBondContact O-CB 3Å; L359-A363 PolarHBondContact O-N 3.2Å; V360-A363 PolarHBondContact O-N 3.3Å; A363-S365 VanDerWaalsContact C-N 3.29Å
364N84.6Confident83.2Confident73 Ų7369.3 Ų69.339%0.3933%0.328SS..THydrogen-bonded Turntrans-86.13.3177.8-73.9-23000113.7S310 D311 V360 V362S310-N364 WeakPolarHBondContact CA-OD1 2.92Å; D311-N364 PolarHBondContact N-OD1 3.29Å; D311-N364 PolarHBondContact OD2-ND2 3.05Å; V360-N364 PolarHBondContact O-N 3.24Å; V362-N364 VanDerWaalsContact C-N 3.28Å; V362-N364 PolarHBondContact O-N 3.19Å
365S87Confident83.1Confident33 Ų3366.3 Ų66.323%0.23131%0.307CS..SBendtrans-73.2149.4176.277.80000111.6K361 V362 A363 E367 C368K361-S365 PolarHBondContact O-N 2.74Å; V362-S365 WeakPolarHBondContact O-CB 3.25Å; V362-S365 PolarHBondContact O-N 3.36Å; V362-S365 PolarHBondContact O-OG 2.9Å; A363-S365 VanDerWaalsContact C-N 3.29Å; S365-E367 PolarHBondContact O-N 3.41Å; S365-C368 PolarHBondContact O-N 3.27Å
366K81.9Confident82.7Confident116 Ų11658 Ų5850%0.50427%0.271SS..Hα-helixtrans-62.7-25176.1-168.357.3176.4-174.80112.6E369 L370K366-E369 HydrophobicContact CD-CB 4.48Å; K366-E369 VanDerWaalsContact CD-OE2 3.22Å; K366-E369 WeakPolarHBondContact CD-OE2 3.36Å; K366-E369 IonicContact NZ-OE1 2.68Å; K366-E369 PolarHBondContact NZ-OE1 2.75Å; K366-E369 IonicContact NZ-OE2 2.66Å; K366-E369 PolarHBondContact NZ-OE2 2.61Å; K366-L370 HydrophobicContact CD-CG 4.43Å; K366-L370 HydrophobicContact CG-CD1 3.97Å; K366-L370 HydrophobicContact CG-CG 4.13Å; K366-L370 VanDerWaalsContact O-CB 3.32Å; K366-L370 WeakPolarHBondContact O-CB 3.31Å; K366-L370 WeakPolarHBondContact O-CG 3.48Å; K366-L370 PolarHBondContact O-N 3.15Å
367E82.4Confident82.3Confident117 Ų11754.9 Ų54.955%0.54726%0.257SS..Hα-helixtrans-64.7-43.6179.8-172.2178.217900112.4L302 S365 L370 S371L302-E367 HydrophobicContact CD1-CG 4.18Å; S365-E367 PolarHBondContact O-N 3.41Å; E367-L370 PolarHBondContact O-N 2.91Å; E367-S371 WeakPolarHBondContact O-CB 3.16Å; E367-S371 PolarHBondContact O-N 3.09Å; E367-S371 PolarHBondContact O-OG 3.37Å
368C82.3Confident81.8Confident0 Ų060 Ų600%027%0.274CS..Hα-helixtrans-63-48175.7-77.10000111.9Y306 V362 S365 L370 S371 L372Y306-C368 HydrophobicContact CD2-CB 3.83Å; Y306-C368 HydrophobicContact CG-CB 4.35Å; V362-C368 PolarHBondContact O-SG 2.96Å; S365-C368 PolarHBondContact O-N 3.27Å; C368-L370 VanDerWaalsContact C-N 3.34Å; C368-L370 PolarHBondContact O-N 2.87Å; C368-S371 WeakPolarHBondContact O-CB 3.24Å; C368-S371 PolarHBondContact O-N 3.08Å; C368-L372 PolarHBondContact O-N 3.4Å; C368-L372 VanDerWaalsContact O-N 3.09Å
369E80.7Confident81Confident40 Ų4058 Ų5819%0.18726%0.263CS..Hα-helixtrans-60.1-44176.8-168.1-161.7144.600111.4Y306 K366 S371 L372 L373 I414Y306-E369 HydrophobicContact CD2-CB 4.43Å; Y306-E369 HydrophobicContact CE2-CB 3.77Å; Y306-E369 HydrophobicContact CE2-CG 4.11Å; K366-E369 HydrophobicContact CD-CB 4.48Å; K366-E369 VanDerWaalsContact CD-OE2 3.22Å; K366-E369 WeakPolarHBondContact CD-OE2 3.36Å; K366-E369 IonicContact NZ-OE1 2.68Å; K366-E369 PolarHBondContact NZ-OE1 2.75Å; K366-E369 IonicContact NZ-OE2 2.66Å; K366-E369 PolarHBondContact NZ-OE2 2.61Å; E369-S371 VanDerWaalsContact C-N 3.32Å; E369-S371 PolarHBondContact O-N 2.82Å; E369-L372 PolarHBondContact O-N 3.2Å; E369-L373 HydrophobicContact CG-CD1 4.22Å; E369-L373 WeakPolarHBondContact O-CB 3.36Å; E369-L373 VanDerWaalsContact O-CG 3.29Å; E369-L373 WeakPolarHBondContact O-CG 3.43Å; E369-L373 PolarHBondContact O-N 2.98Å; E369-I414 HydrophobicContact CG-CD1 3.65Å
370L82.2Confident80Confident66 Ų6659.6 Ų59.635%0.34627%0.271SS..Hα-helixtrans-64.8-34.9177-74.5173000112.5K366 E367 C368 L373 R374K366-L370 HydrophobicContact CD-CG 4.43Å; K366-L370 HydrophobicContact CG-CD1 3.97Å; K366-L370 HydrophobicContact CG-CG 4.13Å; K366-L370 VanDerWaalsContact O-CB 3.32Å; K366-L370 WeakPolarHBondContact O-CB 3.31Å; K366-L370 WeakPolarHBondContact O-CG 3.48Å; K366-L370 PolarHBondContact O-N 3.15Å; E367-L370 PolarHBondContact O-N 2.91Å; C368-L370 VanDerWaalsContact C-N 3.34Å; C368-L370 PolarHBondContact O-N 2.87Å; L370-L373 HydrophobicContact CD2-CD1 4.48Å; L370-L373 PolarHBondContact O-N 3.37Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 3.2Å; L370-R374 PolarHBondContact O-N 3.26Å
371S81.5Confident78.9Confident7 Ų761.9 Ų61.95%0.04928%0.282CS..Hα-helixtrans-65.5-44.6177-62.20000111.3E367 C368 E369 R374 N375E367-S371 WeakPolarHBondContact O-CB 3.16Å; E367-S371 PolarHBondContact O-N 3.09Å; E367-S371 PolarHBondContact O-OG 3.37Å; C368-S371 WeakPolarHBondContact O-CB 3.24Å; C368-S371 PolarHBondContact O-N 3.08Å; E369-S371 VanDerWaalsContact C-N 3.32Å; E369-S371 PolarHBondContact O-N 2.82Å; S371-R374 PolarHBondContact O-N 2.9Å; S371-N375 PolarHBondContact O-N 3.28Å
372L83.3Confident77.7Confident0 Ų059.4 Ų59.40%027%0.273CS..Hα-helixtrans-62.5-47.7172.3178.762.6000111F276 I303 Y306 L307 C368 E369 R374 N375 L376 I414F276-L372 HydrophobicContact CE1-CD2 4.41Å; I303-L372 HydrophobicContact CG1-CB 4.42Å; I303-L372 HydrophobicContact CG2-CD1 3.94Å; Y306-L372 HydrophobicContact CD1-CD2 3.58Å; Y306-L372 HydrophobicContact CE1-CD2 3.48Å; Y306-L372 VanDerWaalsContact CE1-CD2 3.48Å; L307-L372 HydrophobicContact CD2-CD2 4.03Å; C368-L372 PolarHBondContact O-N 3.4Å; C368-L372 VanDerWaalsContact O-N 3.09Å; E369-L372 PolarHBondContact O-N 3.2Å; L372-R374 VanDerWaalsContact C-N 3.28Å; L372-R374 PolarHBondContact O-N 3Å; L372-N375 PolarHBondContact O-N 2.58Å; L372-N375 VanDerWaalsContact O-N 3.09Å; L372-L376 HydrophobicContact CD1-CD1 4.04Å; L372-L376 HydrophobicContact CD1-CD2 4.47Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CD2-CD1 4.24Å; L372-L376 HydrophobicContact CG-CD1 3.72Å; L372-L376 HydrophobicContact CG-CG 4.17Å; L372-L376 WeakPolarHBondContact O-CG 3.2Å; L372-L376 PolarHBondContact O-N 2.91Å; L372-I414 HydrophobicContact CD2-CD1 4.23Å; L372-I414 HydrophobicContact CD2-CG2 4.25Å
373L81.4Confident76.1Confident21 Ų2160.6 Ų60.611%0.1128%0.278CS..Hα-helixtrans-59.8-34.8178.9-75.5172.2000113.2E369 L370 L376 R377 P413 I414E369-L373 HydrophobicContact CG-CD1 4.22Å; E369-L373 WeakPolarHBondContact O-CB 3.36Å; E369-L373 VanDerWaalsContact O-CG 3.29Å; E369-L373 WeakPolarHBondContact O-CG 3.43Å; E369-L373 PolarHBondContact O-N 2.98Å; L370-L373 HydrophobicContact CD2-CD1 4.48Å; L370-L373 PolarHBondContact O-N 3.37Å; L373-L376 PolarHBondContact O-N 3.3Å; L373-R377 WeakPolarHBondContact O-CB 3.4Å; L373-R377 VanDerWaalsContact O-CG 3.24Å; L373-R377 WeakPolarHBondContact O-CG 3.46Å; L373-R377 PolarHBondContact O-N 3.4Å; L373-P413 HydrophobicContact CD2-CB 4.06Å; L373-I414 HydrophobicContact CD2-CD1 4.2Å; L373-I414 HydrophobicContact CD2-CG1 3.69Å; L373-I414 HydrophobicContact CG-CD1 4.22Å; L373-I414 HydrophobicContact CG-CG1 4.25Å
374R81.3Confident74.6Confident162 Ų16263.7 Ų63.761%0.61129%0.292SS*.Hα-helixtrans-63-44.6174.2-77.6172.1-173.5163.72.8111.3L370 S371 L372 R377 R378L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 3.2Å; L370-R374 PolarHBondContact O-N 3.26Å; S371-R374 PolarHBondContact O-N 2.9Å; L372-R374 VanDerWaalsContact C-N 3.28Å; L372-R374 PolarHBondContact O-N 3Å; R374-R377 PolarHBondContact O-N 3.36Å; R374-R378 PolarHBondContact O-N 2.92Å
375N76.9Confident73Confident41 Ų4162.6 Ų62.622%0.21929%0.289CS..Hα-helixtrans-65-44.4175.8-78.1-3.9000111.5I303 S371 L372 R377 R378 I379I303-N375 WeakPolarHBondContact CD1-ND2 3.39Å; S371-N375 PolarHBondContact O-N 3.28Å; L372-N375 PolarHBondContact O-N 2.58Å; L372-N375 VanDerWaalsContact O-N 3.09Å; N375-R377 PolarHBondContact O-N 3.44Å; N375-R378 WeakPolarHBondContact O-CB 3.22Å; N375-R378 PolarHBondContact O-N 3.45Å; N375-I379 PolarHBondContact O-N 3.36Å
376L77.9Confident71.2Confident1 Ų163.5 Ų63.51%0.00530%0.298CS..Hα-helixtrans-64.8-36.9178.6-68.3177.6000112.8P275 F276 L372 L373 R378 I379 I380 I414 L417P275-L376 HydrophobicContact CB-CD2 3.53Å; P275-L376 HydrophobicContact CG-CD2 3.75Å; F276-L376 HydrophobicContact CE1-CD1 4.49Å; F276-L376 HydrophobicContact CZ-CD1 4.2Å; L372-L376 HydrophobicContact CD1-CD1 4.04Å; L372-L376 HydrophobicContact CD1-CD2 4.47Å; L372-L376 HydrophobicContact CD1-CG 4.06Å; L372-L376 HydrophobicContact CD2-CD1 4.24Å; L372-L376 HydrophobicContact CG-CD1 3.72Å; L372-L376 HydrophobicContact CG-CG 4.17Å; L372-L376 WeakPolarHBondContact O-CG 3.2Å; L372-L376 PolarHBondContact O-N 2.91Å; L373-L376 PolarHBondContact O-N 3.3Å; L376-R378 VanDerWaalsContact C-N 3.31Å; L376-R378 PolarHBondContact O-N 2.95Å; L376-I379 HydrophobicContact CD2-CD1 4.27Å; L376-I379 WeakPolarHBondContact O-CB 3.4Å; L376-I379 PolarHBondContact O-N 3.44Å; L376-I380 WeakPolarHBondContact O-CG1 3.45Å; L376-I380 PolarHBondContact O-N 3Å; L376-I414 HydrophobicContact CD1-CG1 4.4Å; L376-L417 HydrophobicContact CB-CD1 3.56Å; L376-L417 HydrophobicContact CD1-CD1 3.56Å; L376-L417 HydrophobicContact CD2-CD1 3.82Å; L376-L417 HydrophobicContact CG-CD1 3.8Å
377R72.4Confident69.7Low142 Ų14261.8 Ų61.854%0.53630%0.298SS..Hα-helixtrans-61.6-38.3175.2-81.5177.6-170.4-173.24.8112.7L373 R374 N375 I379 I380 N381L373-R377 WeakPolarHBondContact O-CB 3.4Å; L373-R377 VanDerWaalsContact O-CG 3.24Å; L373-R377 WeakPolarHBondContact O-CG 3.46Å; L373-R377 PolarHBondContact O-N 3.4Å; R374-R377 PolarHBondContact O-N 3.36Å; N375-R377 PolarHBondContact O-N 3.44Å; R377-I379 VanDerWaalsContact C-N 3.31Å; R377-I380 PolarHBondContact O-N 3.3Å; R377-N381 WeakPolarHBondContact O-CB 3.38Å; R377-N381 VanDerWaalsContact O-CG 3.31Å; R377-N381 PolarHBondContact O-N 3.38Å; R377-N381 PolarHBondContact O-ND2 3.44Å
378R70.6Confident68.1Low152 Ų15258.8 Ų58.857%0.57429%0.289SS*.Hα-helixtrans-58.1-47.9174.4-176.5179173.6-175.8-2.3110.1R374 N375 L376 N381 E382R374-R378 PolarHBondContact O-N 2.92Å; N375-R378 WeakPolarHBondContact O-CB 3.22Å; N375-R378 PolarHBondContact O-N 3.45Å; L376-R378 VanDerWaalsContact C-N 3.31Å; L376-R378 PolarHBondContact O-N 2.95Å; R378-N381 PolarHBondContact O-N 3.31Å; R378-E382 IonicContact NE-OE1 3.39Å; R378-E382 WeakPolarHBondContact O-CG 3.42Å; R378-E382 PolarHBondContact O-N 2.99Å
379I67.3Low66.5Low11 Ų1162.9 Ų62.96%0.05631%0.308CS..Hα-helixtrans-63.6-45.9178.5-59169.4000111.8Y272 P275 N375 L376 R377 N381 E382 N383Y272-I379 HydrophobicContact CD2-CB 4.43Å; Y272-I379 HydrophobicContact CD2-CG1 4.07Å; Y272-I379 HydrophobicContact CD2-CG2 4.1Å; Y272-I379 HydrophobicContact CE2-CG2 4.1Å; P275-I379 HydrophobicContact CB-CD1 3.79Å; P275-I379 HydrophobicContact CG-CD1 4.18Å; N375-I379 PolarHBondContact O-N 3.36Å; L376-I379 HydrophobicContact CD2-CD1 4.27Å; L376-I379 WeakPolarHBondContact O-CB 3.4Å; L376-I379 PolarHBondContact O-N 3.44Å; R377-I379 VanDerWaalsContact C-N 3.31Å; I379-N381 VanDerWaalsContact C-N 3.34Å; I379-N381 PolarHBondContact O-N 2.86Å; I379-E382 PolarHBondContact O-N 3.41Å; I379-N383 PolarHBondContact O-N 3.01Å
380I65.4Low64.8Low45 Ų4570 Ų7023%0.23133%0.333CS..Hα-helixtrans-59.4-45.3178.4-70.2162.8000110.8L376 R377 E382 N383 K384 L417L376-I380 WeakPolarHBondContact O-CG1 3.45Å; L376-I380 PolarHBondContact O-N 3Å; R377-I380 PolarHBondContact O-N 3.3Å; I380-E382 VanDerWaalsContact C-N 3.31Å; I380-E382 PolarHBondContact O-N 2.86Å; I380-N383 PolarHBondContact O-N 3.04Å; I380-K384 PolarHBondContact O-N 3.27Å; I380-L417 HydrophobicContact CD1-CD1 3.84Å; I380-L417 HydrophobicContact CD1-CD2 4.41Å; I380-L417 HydrophobicContact CD1-CG 4.43Å; I380-L417 HydrophobicContact CG1-CD1 4.28Å; I380-L417 HydrophobicContact CG1-CD2 4.1Å
381N61Low63.1Low85 Ų8569.8 Ų69.846%0.45534%0.342SS..Hα-helixtrans-65.3-35.1-177.4-75.6-25.4000112.7R377 R378 I379 K384R377-N381 WeakPolarHBondContact O-CB 3.38Å; R377-N381 VanDerWaalsContact O-CG 3.31Å; R377-N381 PolarHBondContact O-N 3.38Å; R377-N381 PolarHBondContact O-ND2 3.44Å; R378-N381 PolarHBondContact O-N 3.31Å; I379-N381 VanDerWaalsContact C-N 3.34Å; I379-N381 PolarHBondContact O-N 2.86Å; N381-K384 PolarHBondContact OD1-NZ 3.33Å
382E58.7Low61Low102 Ų10272.2 Ų72.248%0.47736%0.358SS..Hα-helixtrans-71-30.8177.5-71.7169.7-171.200112.5Y272 R378 I379 I380Y272-E382 WeakPolarHBondContact CD2-OE2 3.41Å; Y272-E382 HydrophobicContact CE2-CB 4.14Å; Y272-E382 WeakPolarHBondContact CE2-OE2 3.37Å; R378-E382 IonicContact NE-OE1 3.39Å; R378-E382 WeakPolarHBondContact O-CG 3.42Å; R378-E382 PolarHBondContact O-N 2.99Å; I379-E382 PolarHBondContact O-N 3.41Å; I380-E382 VanDerWaalsContact C-N 3.31Å; I380-E382 PolarHBondContact O-N 2.86Å
383N54.7Low58.7Low59 Ų5980 Ų8032%0.31640%0.395SS..THydrogen-bonded Turntrans-85-2.6178.8-80.4-34.4000115.1M230 Y272 I379 I380 C385M230-N383 HydrophobicContact CE-CB 4.09Å; M230-N383 HydrophobicContact SD-CB 4.23Å; Y272-N383 PolarHBondContact OH-OD1 3.41Å; I379-N383 PolarHBondContact O-N 3.01Å; I380-N383 PolarHBondContact O-N 3.04Å; N383-C385 PolarHBondContact O-N 3.45Å
384K52.3Low56.5Low65 Ų6582.8 Ų82.828%0.28342%0.416SS..  trans-68.1129.4179.4-76.3173.5179.7169.80111.2I380 N381 C388 Q389I380-K384 PolarHBondContact O-N 3.27Å; N381-K384 PolarHBondContact OD1-NZ 3.33Å; K384-C388 HydrophobicContact CB-CB 4.34Å; K384-Q389 HydrophobicContact CB-CG 3.77Å
385C50.8Low54.1Low49 Ų4979.1 Ų79.133%0.33142%0.415SS..  trans-58.3151.1166.7176.40000111.2N383 T387 C388 Q389N383-C385 PolarHBondContact O-N 3.45Å; C385-T387 PolarHBondContact O-N 2.66Å; C385-T387 VanDerWaalsContact O-N 3.17Å; C385-T387 PolarHBondContact SG-OG1 2.67Å; C385-C388 HydrophobicContact CB-CB 4.44Å; C385-C388 CarbonylContact O-C 3.49Å; C385-C388 WeakPolarHBondContact O-CA 3.49Å; C385-C388 WeakPolarHBondContact O-CB 3.47Å; C385-C388 PolarHBondContact O-N 3.14Å; C385-Q389 PolarHBondContact O-N 2.88Å
386A50.9Low51.7Low52 Ų5283.3 Ų83.343%0.4344%0.442SS..Hα-helixtrans-53.8-34.1176.700000113.5R390A386-R390 VanDerWaalsContact O-CG 3.25Å; A386-R390 WeakPolarHBondContact O-CG 3.3Å; A386-R390 PolarHBondContact O-N 3.17Å; A386-R390 VanDerWaalsContact O-N 3.08Å
387T48.9Very low49.7Very low80 Ų8089.5 Ų89.549%0.49148%0.48SS..Hα-helixtrans-69.7-39.2172.935.90000112.6C385 R390 A391C385-T387 PolarHBondContact O-N 2.66Å; C385-T387 VanDerWaalsContact O-N 3.17Å; C385-T387 PolarHBondContact SG-OG1 2.67Å; T387-R390 PolarHBondContact O-N 3.42Å; T387-A391 PolarHBondContact O-N 3.5Å
388C49.4Very low47.5Very low54 Ų5491.5 Ų91.537%0.36549%0.493SS..Hα-helixtrans-71-34174.8-59.40000112.5K384 C385 A391 S392K384-C388 HydrophobicContact CB-CB 4.34Å; C385-C388 HydrophobicContact CB-CB 4.44Å; C385-C388 CarbonylContact O-C 3.49Å; C385-C388 WeakPolarHBondContact O-CA 3.49Å; C385-C388 WeakPolarHBondContact O-CB 3.47Å; C385-C388 PolarHBondContact O-N 3.14Å; C388-A391 PolarHBondContact O-N 2.81Å; C388-S392 PolarHBondContact O-N 3.18Å; C388-S392 PolarHBondContact O-OG 3.43Å
389Q48.5Very low45.5Very low87 Ų8788.4 Ų88.441%0.40749%0.487SS..Hα-helixtrans-61.3-46.4170.6-75.6-178.9-14.200110.4K384 C385 A391 S392 H393K384-Q389 HydrophobicContact CB-CG 3.77Å; C385-Q389 PolarHBondContact O-N 2.88Å; Q389-A391 PolarHBondContact O-N 3.23Å; Q389-S392 PolarHBondContact O-N 2.96Å; Q389-S392 PolarHBondContact O-OG 2.69Å; Q389-H393 PolarHBondContact O-CD2 3.37Å; Q389-H393 PolarHBondContact O-N 3.22Å
390R46.4Very low43.5Very low188 Ų18893.4 Ų93.471%0.70952%0.518SS*.Hα-helixtrans-61.3-41.5176.1-72.3174-163.7176.34.9112.8A386 T387 S392 H393A386-R390 VanDerWaalsContact O-CG 3.25Å; A386-R390 WeakPolarHBondContact O-CG 3.3Å; A386-R390 PolarHBondContact O-N 3.17Å; A386-R390 VanDerWaalsContact O-N 3.08Å; T387-R390 PolarHBondContact O-N 3.42Å; R390-S392 VanDerWaalsContact C-N 3.26Å; R390-S392 PolarHBondContact O-N 2.93Å; R390-H393 PolarHBondContact O-N 3.31Å
391A45.1Very low42Very low63 Ų6396 Ų9652%0.52153%0.528SS..Hα-helixtrans-63.2-30176.300000113.2T387 C388 Q389 S394T387-A391 PolarHBondContact O-N 3.5Å; C388-A391 PolarHBondContact O-N 2.81Å; Q389-A391 PolarHBondContact O-N 3.23Å; A391-S394 PolarHBondContact O-OG 3.47Å
392S37.5Very low40.6Very low57 Ų5795.3 Ų95.340%0.39953%0.528SS..Hα-helixtrans-81.4-13.2178.665.80000115C388 Q389 R390 S394C388-S392 PolarHBondContact O-N 3.18Å; C388-S392 PolarHBondContact O-OG 3.43Å; Q389-S392 PolarHBondContact O-N 2.96Å; Q389-S392 PolarHBondContact O-OG 2.69Å; R390-S392 VanDerWaalsContact C-N 3.26Å; R390-S392 PolarHBondContact O-N 2.93Å; S392-S394 VanDerWaalsContact C-N 3.3Å
393H34.8Very low39Very low165 Ų16597 Ų9776%0.76455%0.546SS*.Hα-helixtrans-78.3-15.9172.3-74-62.7000112.8Q389 R390Q389-H393 PolarHBondContact O-CD2 3.37Å; Q389-H393 PolarHBondContact O-N 3.22Å; R390-H393 PolarHBondContact O-N 3.31Å
394S35.5Very low37.7Very low79 Ų79100.5 Ų100.555%0.55256%0.564SS**SBendtrans-93.211016552.70000109.5A391 S392A391-S394 PolarHBondContact O-OG 3.47Å; S392-S394 VanDerWaalsContact C-N 3.3Å
395S30.5Very low36.8Very low85 Ų85101.2 Ų101.259%0.59459%0.59SS**SBendtrans82.399.3177.775.60000117.3
396T26.9Very low35.7Very low128 Ų128105.8 Ų105.879%0.78561%0.611SS**SBendtrans-12.4125.1148.345.50000117.3K398T396-K398 PolarHBondContact O-N 3.29Å
397T37Very low34.7Very low132 Ų132113.1 Ų113.181%0.8164%0.636SS**SBendtrans45.769.8146.253.60000116.9
398K24.5Very low33.8Very low183 Ų183118 Ų11880%0.79665%0.654SS**  trans-172136.2144.2-99.8154.9-172.7-175.10105.3T396 T400T396-K398 PolarHBondContact O-N 3.29Å; K398-T400 VanDerWaalsContact C-N 3.26Å; K398-T400 PolarHBondContact O-N 3.27Å
399I30.2Very low33.2Very low88 Ų88121.7 Ų121.745%0.45167%0.674SS.*  trans-66100.2167.1-56.6169.9000104.8F401I399-F401 HydrophobicContact CB-CD2 4.17Å; I399-F401 HydrophobicContact CB-CE2 3.67Å; I399-F401 HydrophobicContact CB-CZ 4Å; I399-F401 HydrophobicContact CD1-CE2 4.49Å; I399-F401 HydrophobicContact CD1-CZ 4.28Å; I399-F401 HydrophobicContact CG2-CD1 3.98Å; I399-F401 HydrophobicContact CG2-CD2 3.74Å; I399-F401 HydrophobicContact CG2-CE1 3.62Å; I399-F401 HydrophobicContact CG2-CE2 3.37Å; I399-F401 HydrophobicContact CG2-CG 4.05Å; I399-F401 HydrophobicContact CG2-CZ 3.31Å; I399-F401 WeakPolarHBondContact O-CD2 3.45Å; I399-F401 PolarHBondContact O-N 2.84Å; I399-F401 VanDerWaalsContact O-N 3.11Å
400T23.6Very low32.7Very low116 Ų116125 Ų12571%0.71269%0.694SS**  trans-75.193.9171.530.30000106.6K398K398-T400 VanDerWaalsContact C-N 3.26Å; K398-T400 PolarHBondContact O-N 3.27Å
401F35.1Very low32.8Very low99 Ų99120.4 Ų120.443%0.43468%0.681SS.*  trans-72.7134172.6-68.7-80.6000109I399 T403I399-F401 HydrophobicContact CB-CD2 4.17Å; I399-F401 HydrophobicContact CB-CE2 3.67Å; I399-F401 HydrophobicContact CB-CZ 4Å; I399-F401 HydrophobicContact CD1-CE2 4.49Å; I399-F401 HydrophobicContact CD1-CZ 4.28Å; I399-F401 HydrophobicContact CG2-CD1 3.98Å; I399-F401 HydrophobicContact CG2-CD2 3.74Å; I399-F401 HydrophobicContact CG2-CE1 3.62Å; I399-F401 HydrophobicContact CG2-CE2 3.37Å; I399-F401 HydrophobicContact CG2-CG 4.05Å; I399-F401 HydrophobicContact CG2-CZ 3.31Å; I399-F401 WeakPolarHBondContact O-CD2 3.45Å; I399-F401 PolarHBondContact O-N 2.84Å; I399-F401 VanDerWaalsContact O-N 3.11Å; F401-T403 PolarHBondContact O-N 3.39Å
402P31Very low33.7Very low71 Ų71119.8 Ų119.846%0.46167%0.669SS.*  trans-66.6125.2-17020.6-28.4000111.8N228 N404N228-P402 HydrophobicContact CB-CG 3.67Å; N228-P402 WeakPolarHBondContact ND2-CB 3.29Å; N228-P402 WeakPolarHBondContact ND2-CG 3.22Å; N228-P402 VanDerWaalsContact OD1-CG 3.23Å; N228-P402 WeakPolarHBondContact OD1-CG 3.28Å; P402-N404 PolarHBondContact O-N 2.84Å
403T24.8Very low34.9Very low138 Ų138119.3 Ų119.385%0.84766%0.664SS**  trans-73.397179.8500000110.3F401F401-T403 PolarHBondContact O-N 3.39Å
404N28.2Very low36.6Very low131 Ų131111.4 Ų111.470%0.70163%0.628SS**  trans-106.4133.3162.8-91.4-3.5000110P402 N406P402-N404 PolarHBondContact O-N 2.84Å; N404-N406 PolarHBondContact O-N 2.81Å
405G33.1Very low38.2Very low80 Ų80109.8 Ų109.883%0.82561%0.613SS**SBendtrans-72.828.8-155.200000118
406N28.6Very low39.8Very low146 Ų146108.7 Ų108.778%0.78160%0.596SS**SBendtrans-125.5119.1170.8-73.4-20.2000108.8N404 Q408N404-N406 PolarHBondContact O-N 2.81Å; N406-Q408 VanDerWaalsContact C-N 3.29Å; N406-Q408 PolarHBondContact O-N 3.42Å
407Q28.5Very low41.7Very low206 Ų206102.9 Ų102.996%0.96356%0.56SS**  trans-5974.5-173.6-64.4169-27.300113.5
408Q31.6Very low43.2Very low183 Ų18398.6 Ų98.686%0.85553%0.53SS*.  trans-91.6118.3158.3-71.1-177.2-6.900107.5N406 L410N406-Q408 VanDerWaalsContact C-N 3.29Å; N406-Q408 PolarHBondContact O-N 3.42Å; Q408-L410 PolarHBondContact O-N 2.85Å
409T35.8Very low45.1Very low130 Ų13094.1 Ų94.180%0.79852%0.515SS*.  trans-39.4127.9177.2450000112E411T409-E411 PolarHBondContact O-N 3.29Å
410L37.2Very low46.5Very low158 Ų15892.3 Ų92.383%0.82751%0.505SS*.  trans-49.4107.6174.7-78.9133.8000110.1Q408 N412Q408-L410 PolarHBondContact O-N 2.85Å; L410-N412 PolarHBondContact O-N 3.26Å
411E48.6Very low48.2Very low91 Ų9187.8 Ų87.843%0.42548%0.477SS..  trans-62132.4171.6-67.4-175.9156.300108.7T409 D415 W416 N419T409-E411 PolarHBondContact O-N 3.29Å; E411-D415 HydrophobicContact CB-CB 4.46Å; E411-W416 HydrophobicContact CB-CB 4.27Å; E411-N419 PolarHBondContact OE1-ND2 3.16Å
412N64.9Low49.3Very low50 Ų5085.1 Ų85.127%0.26747%0.471SS..  trans-50.4137.9166.9175.9-13.7000108.4L410 I414 D415 W416L410-N412 PolarHBondContact O-N 3.26Å; N412-I414 PolarHBondContact O-N 3.49Å; N412-I414 PolarHBondContact OD1-N 3.32Å; N412-D415 HydrophobicContact CB-CB 4.12Å; N412-D415 WeakPolarHBondContact CB-OD2 3.47Å; N412-D415 WeakPolarHBondContact O-CA 3.12Å; N412-D415 WeakPolarHBondContact O-CB 3.24Å; N412-D415 PolarHBondContact O-N 3.25Å; N412-W416 PolarHBondContact O-N 3.27Å
413P63.2Low50.8Low46 Ų4683.3 Ų83.330%0.29946%0.455SS..Hα-helixtrans-49.8-32.6176-29.534000114.2L373 L417L373-P413 HydrophobicContact CD2-CB 4.06Å; P413-L417 WeakPolarHBondContact O-CB 3.46Å; P413-L417 WeakPolarHBondContact O-CD1 3.36Å; P413-L417 VanDerWaalsContact O-CG 3.31Å; P413-L417 WeakPolarHBondContact O-CG 3.37Å; P413-L417 PolarHBondContact O-N 2.92Å
414I70.5Confident52.2Low0 Ų081.4 Ų81.40%044%0.44CS..Hα-helixtrans-68.3-45.1175.1-56.8179.5000110.7F276 Y306 W312 E369 L372 L373 L376 N412 L417 H418F276-I414 HydrophobicContact CE1-CG2 3.79Å; F276-I414 HydrophobicContact CZ-CG2 4.28Å; Y306-I414 HydrophobicContact CE1-CD1 4.23Å; Y306-I414 WeakPolarHBondContact OH-CD1 3.47Å; W312-I414 HydrophobicContact CD2-CG2 4.01Å; W312-I414 VanDerWaalsContact CE2-CG2 3.46Å; W312-I414 HydrophobicContact CE3-CG2 4.42Å; W312-I414 HydrophobicContact CH2-CG2 3.93Å; W312-I414 HydrophobicContact CZ2-CG2 3.43Å; W312-I414 VanDerWaalsContact CZ2-CG2 3.43Å; W312-I414 HydrophobicContact CZ3-CG2 4.39Å; E369-I414 HydrophobicContact CG-CD1 3.65Å; L372-I414 HydrophobicContact CD2-CD1 4.23Å; L372-I414 HydrophobicContact CD2-CG2 4.25Å; L373-I414 HydrophobicContact CD2-CD1 4.2Å; L373-I414 HydrophobicContact CD2-CG1 3.69Å; L373-I414 HydrophobicContact CG-CD1 4.22Å; L373-I414 HydrophobicContact CG-CG1 4.25Å; L376-I414 HydrophobicContact CD1-CG1 4.4Å; N412-I414 PolarHBondContact O-N 3.49Å; N412-I414 PolarHBondContact OD1-N 3.32Å; I414-L417 PolarHBondContact O-N 2.98Å; I414-H418 VanDerWaalsContact O-CB 3.27Å; I414-H418 WeakPolarHBondContact O-CB 3.32Å; I414-H418 PolarHBondContact O-N 2.86Å
415D68.6Low53.2Low44 Ų4475.5 Ų75.524%0.23541%0.409CS..Hα-helixtrans-63.6-45.4176.8-69.3-28.5000111.3W312 Q316 E411 N412 L417 H418 N419W312-D415 PolarHBondContact NE1-OD1 3.02Å; Q316-D415 PolarHBondContact NE2-OD1 3.29Å; E411-D415 HydrophobicContact CB-CB 4.46Å; N412-D415 HydrophobicContact CB-CB 4.12Å; N412-D415 WeakPolarHBondContact CB-OD2 3.47Å; N412-D415 WeakPolarHBondContact O-CA 3.12Å; N412-D415 WeakPolarHBondContact O-CB 3.24Å; N412-D415 PolarHBondContact O-N 3.25Å; D415-L417 PolarHBondContact O-N 3.41Å; D415-H418 PolarHBondContact O-N 2.79Å; D415-N419 WeakPolarHBondContact O-CB 3.25Å; D415-N419 PolarHBondContact O-N 3.42Å; D415-N419 PolarHBondContact O-ND2 2.96Å; D415-N419 PolarHBondContact O-OD1 3.36Å
416W64.4Low54.1Low63 Ų6375.9 Ų75.924%0.23939%0.387CS..Hα-helixtrans-57.7-49.9176.1-173.688000111E411 N412 H418 N419 H420E411-W416 HydrophobicContact CB-CB 4.27Å; N412-W416 PolarHBondContact O-N 3.27Å; W416-H418 VanDerWaalsContact C-N 3.34Å; W416-H418 PolarHBondContact O-N 3.31Å; W416-N419 PolarHBondContact O-N 3.26Å; W416-H420 AromaticContact CD1-CD2 3.48Å; W416-H420 VanDerWaalsContact CD1-CD2 3.48Å; W416-H420 AromaticContact CD1-NE2 3.7Å; W416-H420 AromaticContact CD2-CD2 3.62Å; W416-H420 AromaticContact CE2-CD2 3.36Å; W416-H420 AromaticContact CG-CD2 3.71Å; W416-H420 HydrophobicContact CH2-CB 4.49Å; W416-H420 AromaticContact CZ2-CD2 3.91Å; W416-H420 AromaticContact NE1-CD2 3.28Å; W416-H420 PolarHBondContact NE1-CD2 3.32Å; W416-H420 VanDerWaalsContact NE1-CD2 3.28Å; W416-H420 AromaticContact NE1-NE2 3.47Å; W416-H420 PolarHBondContact NE1-NE2 3.27Å; W416-H420 WeakPolarHBondContact O-CB 3.3Å; W416-H420 PolarHBondContact O-CD2 2.85Å; W416-H420 PolarHBondContact O-N 2.93Å
417L66Low54.8Low5 Ų571 Ų713%0.02637%0.365CS..Hα-helixtrans-65.1-38.1179-78.2168.7000112.3F276 L376 I380 P413 I414 D415 H420 V421 S422F276-L417 HydrophobicContact CE2-CB 3.8Å; F276-L417 HydrophobicContact CZ-CB 3.74Å; L376-L417 HydrophobicContact CB-CD1 3.56Å; L376-L417 HydrophobicContact CD1-CD1 3.56Å; L376-L417 HydrophobicContact CD2-CD1 3.82Å; L376-L417 HydrophobicContact CG-CD1 3.8Å; I380-L417 HydrophobicContact CD1-CD1 3.84Å; I380-L417 HydrophobicContact CD1-CD2 4.41Å; I380-L417 HydrophobicContact CD1-CG 4.43Å; I380-L417 HydrophobicContact CG1-CD1 4.28Å; I380-L417 HydrophobicContact CG1-CD2 4.1Å; P413-L417 WeakPolarHBondContact O-CB 3.46Å; P413-L417 WeakPolarHBondContact O-CD1 3.36Å; P413-L417 VanDerWaalsContact O-CG 3.31Å; P413-L417 WeakPolarHBondContact O-CG 3.37Å; P413-L417 PolarHBondContact O-N 2.92Å; I414-L417 PolarHBondContact O-N 2.98Å; D415-L417 PolarHBondContact O-N 3.41Å; L417-H420 PolarHBondContact O-N 2.96Å; L417-V421 HydrophobicContact CD2-CG2 3.77Å; L417-V421 WeakPolarHBondContact O-CA 3.3Å; L417-V421 VanDerWaalsContact O-CB 3.29Å; L417-V421 WeakPolarHBondContact O-CB 3.38Å; L417-V421 PolarHBondContact O-N 2.97Å; L417-S422 PolarHBondContact O-N 3.42Å
418H68.7Low54.7Low43 Ų4369.7 Ų69.720%0.19936%0.359CS..Hα-helixtrans-62.5-46.8174.7179-94000110.4F276 W312 Q316 I414 D415 W416 H420 S422F276-H418 HydrophobicContact CE1-CB 4.31Å; F276-H418 HydrophobicContact CE2-CB 4.13Å; F276-H418 HydrophobicContact CZ-CB 3.97Å; W312-H418 HydrophobicContact CH2-CB 4.3Å; W312-H418 AromaticContact CH2-CD2 3.85Å; W312-H418 HydrophobicContact CZ2-CB 3.87Å; W312-H418 AromaticContact CZ2-CG 3.99Å; Q316-H418 PolarHBondContact OE1-CE1 3Å; Q316-H418 PolarHBondContact OE1-ND1 2.97Å; I414-H418 VanDerWaalsContact O-CB 3.27Å; I414-H418 WeakPolarHBondContact O-CB 3.32Å; I414-H418 PolarHBondContact O-N 2.86Å; D415-H418 PolarHBondContact O-N 2.79Å; W416-H418 VanDerWaalsContact C-N 3.34Å; W416-H418 PolarHBondContact O-N 3.31Å; H418-H420 VanDerWaalsContact C-N 3.29Å; H418-H420 PolarHBondContact O-N 3.34Å; H418-S422 WeakPolarHBondContact O-CB 3.37Å; H418-S422 PolarHBondContact O-N 3.49Å; H418-S422 PolarHBondContact O-OG 3.07Å
419N65.1Low54.7Low88 Ų8863.2 Ų63.247%0.47133%0.333SS..Hα-helixtrans-67.9-26-178.3-66.7-14.3000113.5E411 D415 W416E411-N419 PolarHBondContact OE1-ND2 3.16Å; D415-N419 WeakPolarHBondContact O-CB 3.25Å; D415-N419 PolarHBondContact O-N 3.42Å; D415-N419 PolarHBondContact O-ND2 2.96Å; D415-N419 PolarHBondContact O-OD1 3.36Å; W416-N419 PolarHBondContact O-N 3.26Å
420H58.6Low54.2Low51 Ų5168 Ų6824%0.23634%0.336CS..Hα-helixtrans-113.5-25.2-172.1-66.6-58.7000116M229 W416 L417 H418M229-H420 VanDerWaalsContact CE-NE2 3.32Å; M229-H420 WeakPolarHBondContact CE-NE2 3.4Å; W416-H420 AromaticContact CD1-CD2 3.48Å; W416-H420 VanDerWaalsContact CD1-CD2 3.48Å; W416-H420 AromaticContact CD1-NE2 3.7Å; W416-H420 AromaticContact CD2-CD2 3.62Å; W416-H420 AromaticContact CE2-CD2 3.36Å; W416-H420 AromaticContact CG-CD2 3.71Å; W416-H420 HydrophobicContact CH2-CB 4.49Å; W416-H420 AromaticContact CZ2-CD2 3.91Å; W416-H420 AromaticContact NE1-CD2 3.28Å; W416-H420 PolarHBondContact NE1-CD2 3.32Å; W416-H420 VanDerWaalsContact NE1-CD2 3.28Å; W416-H420 AromaticContact NE1-NE2 3.47Å; W416-H420 PolarHBondContact NE1-NE2 3.27Å; W416-H420 WeakPolarHBondContact O-CB 3.3Å; W416-H420 PolarHBondContact O-CD2 2.85Å; W416-H420 PolarHBondContact O-N 2.93Å; L417-H420 PolarHBondContact O-N 2.96Å; H418-H420 VanDerWaalsContact C-N 3.29Å; H418-H420 PolarHBondContact O-N 3.34Å
421V59.6Low53.6Low21 Ų2168.9 Ų68.913%0.12734%0.342CS..Hα-helixtrans-116.2-24.4-175.5-173.80000111.6L417 F423L417-V421 HydrophobicContact CD2-CG2 3.77Å; L417-V421 WeakPolarHBondContact O-CA 3.3Å; L417-V421 VanDerWaalsContact O-CB 3.29Å; L417-V421 WeakPolarHBondContact O-CB 3.38Å; L417-V421 PolarHBondContact O-N 2.97Å; V421-F423 WeakPolarHBondContact O-CD1 3.44Å
422S58Low52.7Low43 Ų4368.1 Ų68.130%0.30136%0.358SS..  trans-70.6138.5-178.4850000112.1L417 H418L417-S422 PolarHBondContact O-N 3.42Å; H418-S422 WeakPolarHBondContact O-CB 3.37Å; H418-S422 PolarHBondContact O-N 3.49Å; H418-S422 PolarHBondContact O-OG 3.07Å
423F62Low50.8Low32 Ų3268.1 Ų68.114%0.1436%0.362CS..  trans-140.4146.5164.553-89000108N237 L273 A274 Q277 V421 L425N237-F423 WeakPolarHBondContact OD1-CD1 3.46Å; N237-F423 WeakPolarHBondContact OD1-CE1 3.23Å; L273-F423 VanDerWaalsContact O-CE1 3.26Å; L273-F423 WeakPolarHBondContact O-CE1 3.24Å; A274-F423 HydrophobicContact CB-CE1 4.27Å; A274-F423 HydrophobicContact CB-CE2 4.1Å; A274-F423 HydrophobicContact CB-CZ 3.77Å; Q277-F423 PolarHBondContact NE2-O 3.14Å; V421-F423 WeakPolarHBondContact O-CD1 3.44Å; F423-L425 HydrophobicContact CD2-CD2 3.87Å; F423-L425 HydrophobicContact CD2-CG 3.89Å; F423-L425 HydrophobicContact CE2-CD1 4.08Å; F423-L425 HydrophobicContact CE2-CD2 3.42Å; F423-L425 VanDerWaalsContact CE2-CD2 3.42Å; F423-L425 HydrophobicContact CE2-CG 3.57Å; F423-L425 PolarHBondContact O-N 3.33Å
424N54.9Low49Very low99 Ų9973.3 Ų73.353%0.52939%0.392SS..  trans-84.4112.1-179.8-164.7-15.9000109.9F426 S427N424-F426 PolarHBondContact OD1-N 3.04Å; N424-F426 VanDerWaalsContact OD1-N 3.15Å; N424-S427 WeakPolarHBondContact ND2-CB 3.35Å; N424-S427 PolarHBondContact OD1-N 3.43Å
425L49.1Very low47Very low7 Ų776 Ų764%0.03742%0.415CS..SBendtrans-78.3-24.4-179.8-82.4175.5000114C244 L245 A274 Q277 F280 F423 P438C244-L425 HydrophobicContact CB-CD1 4.13Å; C244-L425 WeakPolarHBondContact SG-CD1 3.39Å; L245-L425 HydrophobicContact CD1-CD2 3.87Å; L245-L425 HydrophobicContact CD2-CB 4.42Å; L245-L425 HydrophobicContact CD2-CD2 4.26Å; L245-L425 HydrophobicContact CG-CD2 3.74Å; A274-L425 HydrophobicContact CB-CD1 3.88Å; Q277-L425 HydrophobicContact CG-CD1 4.1Å; F280-L425 HydrophobicContact CE2-CD1 3.92Å; F280-L425 HydrophobicContact CZ-CD1 3.55Å; F423-L425 HydrophobicContact CD2-CD2 3.87Å; F423-L425 HydrophobicContact CD2-CG 3.89Å; F423-L425 HydrophobicContact CE2-CD1 4.08Å; F423-L425 HydrophobicContact CE2-CD2 3.42Å; F423-L425 VanDerWaalsContact CE2-CD2 3.42Å; F423-L425 HydrophobicContact CE2-CG 3.57Å; F423-L425 PolarHBondContact O-N 3.33Å; L425-P438 WeakPolarHBondContact O-CG 3.37Å
426F51.9Low45Very low87 Ų8782 Ų8238%0.38244%0.438SS..SBendtrans-122.94.8-165.1-56.7-66000114.3L245 Y248 E279 F280 N424L245-F426 HydrophobicContact CD2-CD1 4.36Å; L245-F426 HydrophobicContact CD2-CE1 3.66Å; L245-F426 HydrophobicContact CD2-CZ 4.2Å; Y248-F426 HydrophobicContact CD1-CZ 4.29Å; Y248-F426 HydrophobicContact CE1-CZ 4.17Å; E279-F426 HydrophobicContact CG-CE2 4.49Å; F280-F426 HydrophobicContact CE1-CZ 4.27Å; F280-F426 HydrophobicContact CZ-CZ 4.42Å; N424-F426 PolarHBondContact OD1-N 3.04Å; N424-F426 VanDerWaalsContact OD1-N 3.15Å
427S43.6Very low43.4Very low44 Ų4481.3 Ų81.331%0.30844%0.438SS..PPolyproline II helixtrans-62.5140.6174.142.70000112N424 P438N424-S427 WeakPolarHBondContact ND2-CB 3.35Å; N424-S427 PolarHBondContact OD1-N 3.43Å; S427-P438 WeakPolarHBondContact O-CB 3.45Å; S427-P438 WeakPolarHBondContact O-CD 3.27Å; S427-P438 WeakPolarHBondContact O-CG 3.49Å
428E26.6Very low41.6Very low178 Ų17882.9 Ų82.983%0.83245%0.449SS*.PPolyproline II helixtrans-68.2143.5163.8-69.7-179.6165.200109.8R430E428-R430 PolarHBondContact O-N 3.37Å
429P30.7Very low40.4Very low48 Ų4882.9 Ų82.931%0.31245%0.448SS..PPolyproline II helixtrans-59.7134.2174.3-1020.5000109.9D431 C433 A435P429-D431 PolarHBondContact O-N 3.05Å; P429-C433 HydrophobicContact CB-CB 3.75Å; P429-C433 WeakPolarHBondContact CB-O 3.39Å; P429-C433 WeakPolarHBondContact CG-O 3.39Å; P429-A435 VanDerWaalsContact CG-O 3.27Å; P429-A435 WeakPolarHBondContact CG-O 3.2Å
430R25.9Very low38.6Very low229 Ų22982.8 Ų82.886%0.86445%0.451SS*.PPolyproline II helixtrans-59139.6170.3-69.7-179-174.7172.12.5109.3E428 G432 C433E428-R430 PolarHBondContact O-N 3.37Å; R430-G432 PolarHBondContact O-N 3.37Å; R430-G432 VanDerWaalsContact O-N 3.12Å; R430-C433 PolarHBondContact O-N 2.82Å
431D24.4Very low37.2Very low178 Ų17882.6 Ų82.695%0.95245%0.452SS*.THydrogen-bonded Turntrans-40.5115.5179.6-70.8-41.6000111.6P429P429-D431 PolarHBondContact O-N 3.05Å
432G29Very low35.8Very low75 Ų7584.5 Ų84.577%0.77347%0.466SS*.THydrogen-bonded Turntrans128.1-20.2-174.500000114.3R430R430-G432 PolarHBondContact O-N 3.37Å; R430-G432 VanDerWaalsContact O-N 3.12Å
433C25.7Very low34.5Very low49 Ų4986.1 Ų86.133%0.33147%0.471SS..  trans-108.678.4174.4-67.20000110.5P429 R430 A435P429-C433 HydrophobicContact CB-CB 3.75Å; P429-C433 WeakPolarHBondContact CB-O 3.39Å; P429-C433 WeakPolarHBondContact CG-O 3.39Å; R430-C433 PolarHBondContact O-N 2.82Å; C433-A435 PolarHBondContact O-N 2.91Å
434V25.1Very low32.8Very low156 Ų15687.4 Ų87.495%0.94548%0.48SS*.  trans-71.982.3172.3-175.40000109
435A28.1Very low31.7Very low57 Ų5785.5 Ų85.547%0.47147%0.469SS..  trans-147.1116.6158.700000107.1P429 C433 M437P429-A435 VanDerWaalsContact CG-O 3.27Å; P429-A435 WeakPolarHBondContact CG-O 3.2Å; C433-A435 PolarHBondContact O-N 2.91Å; A435-M437 PolarHBondContact O-N 3.43Å
436K27.8Very low30.8Very low168 Ų16888.7 Ų88.773%0.7349%0.489SS*.SBendtrans-55.2136.7171.9-65.1169-175.4163.70108.2E163E163-K436 IonicContact OE1-NZ 2.76Å; E163-K436 PolarHBondContact OE1-NZ 3.44Å; E163-K436 VanDerWaalsContact OE1-NZ 3.16Å
437M30.5Very low29.7Very low49 Ų4991.2 Ų91.224%0.24150%0.502CS..SBendtrans77.1130-163.6-58.7179.189.600114.1Y194 F195 L245 A435 F439Y194-M437 HydrophobicContact CD1-SD 4.35Å; Y194-M437 HydrophobicContact CE1-CE 3.67Å; Y194-M437 HydrophobicContact CE1-SD 3.61Å; Y194-M437 WeakPolarHBondContact OH-CE 3.42Å; F195-M437 HydrophobicContact CE1-SD 3.96Å; F195-M437 HydrophobicContact CZ-SD 4.16Å; L245-M437 HydrophobicContact CD1-CE 3.64Å; L245-M437 HydrophobicContact CG-CE 4.5Å; A435-M437 PolarHBondContact O-N 3.43Å; M437-F439 HydrophobicContact CB-CD2 3.6Å; M437-F439 HydrophobicContact CB-CE2 3.84Å; M437-F439 HydrophobicContact CE-CE2 3.55Å; M437-F439 HydrophobicContact CE-CZ 4.1Å; M437-F439 HydrophobicContact CG-CE2 4.37Å; M437-F439 PolarHBondContact O-N 3.31Å; M437-F439 HydrophobicContact SD-CD2 4.35Å; M437-F439 HydrophobicContact SD-CE2 3.77Å
438P28.7Very low29Very low38 Ų3896 Ų9625%0.24752%0.517CS..  trans-74.163.9175.834.1-35.8000110.4L425 S427L425-P438 WeakPolarHBondContact O-CG 3.37Å; S427-P438 WeakPolarHBondContact O-CB 3.45Å; S427-P438 WeakPolarHBondContact O-CD 3.27Å; S427-P438 WeakPolarHBondContact O-CG 3.49Å
439F42.2Very low29.1Very low43 Ų4391.6 Ų91.619%0.18950%0.502CS..  trans-98.3101.7162.7-67.2-61.4000106.4R242 L245 M437 N441R242-F439 HydrophobicContact CB-CE1 4.31Å; R242-F439 HydrophobicContact CB-CZ 4.38Å; R242-F439 HydrophobicContact CG-CD1 3.98Å; R242-F439 HydrophobicContact CG-CE1 3.41Å; R242-F439 VanDerWaalsContact CG-CE1 3.41Å; R242-F439 HydrophobicContact CG-CE2 4.41Å; R242-F439 HydrophobicContact CG-CZ 3.62Å; L245-F439 HydrophobicContact CD1-CE1 3.84Å; L245-F439 HydrophobicContact CD1-CE2 3.97Å; L245-F439 HydrophobicContact CD1-CZ 3.21Å; L245-F439 HydrophobicContact CG-CZ 4.48Å; M437-F439 HydrophobicContact CB-CD2 3.6Å; M437-F439 HydrophobicContact CB-CE2 3.84Å; M437-F439 HydrophobicContact CE-CE2 3.55Å; M437-F439 HydrophobicContact CE-CZ 4.1Å; M437-F439 HydrophobicContact CG-CE2 4.37Å; M437-F439 PolarHBondContact O-N 3.31Å; M437-F439 HydrophobicContact SD-CD2 4.35Å; M437-F439 HydrophobicContact SD-CE2 3.77Å; F439-N441 PolarHBondContact O-N 3.03Å
440V28.7Very low28.9Very low87 Ų8797.1 Ų97.153%0.52752%0.522SS..  trans-34.6121.4173.2175.50000109.8S442V440-S442 PolarHBondContact O-N 2.96Å; V440-S442 VanDerWaalsContact O-N 3.11Å
441N27.9Very low29Very low47 Ų4791.6 Ų91.625%0.25151%0.513SS..  trans-5.398.4166.8-76.2-25.4000114.5F439 N443 D444F439-N441 PolarHBondContact O-N 3.03Å; N441-N443 HydrophobicContact CB-CB 4.39Å; N441-N443 PolarHBondContact O-N 2.85Å; N441-D444 HydrophobicContact CB-CB 3.71Å; N441-D444 WeakPolarHBondContact CB-OD2 3.29Å; N441-D444 PolarHBondContact ND2-OD2 3.3Å; N441-D444 PolarHBondContact O-N 3.32Å
442S31.8Very low29.3Very low61 Ų6190.1 Ų90.143%0.42751%0.505SS..Hα-helixtrans-57.1-25.4155.554.10000110.8V440 D444 I445 T446V440-S442 PolarHBondContact O-N 2.96Å; V440-S442 VanDerWaalsContact O-N 3.11Å; S442-D444 PolarHBondContact O-N 2.85Å; S442-I445 PolarHBondContact O-N 3.14Å; S442-T446 WeakPolarHBondContact O-CG2 3.38Å; S442-T446 PolarHBondContact O-N 3.47Å; S442-T446 VanDerWaalsContact O-N 3.16Å; S442-T446 PolarHBondContact O-OG1 3.09Å
443N29.7Very low29.7Very low76 Ų7689.7 Ų89.741%0.40649%0.488SS..Hα-helixtrans-61.5-36.3171.6-74.75.5000113.4K161 N441 T446 Q447K161-N443 PolarHBondContact NZ-OD1 3.34Å; N441-N443 HydrophobicContact CB-CB 4.39Å; N441-N443 PolarHBondContact O-N 2.85Å; N443-T446 WeakPolarHBondContact CA-OG1 3.26Å; N443-T446 PolarHBondContact O-N 2.83Å; N443-T446 PolarHBondContact O-OG1 3.5Å; N443-Q447 PolarHBondContact O-N 2.81Å
444D27.6Very low30.5Very low59 Ų5990.7 Ų90.732%0.31649%0.494SS..Hα-helixtrans-73.7-30.8-179.1-88.3-41.6000111.4N441 S442 Q447 K448N441-D444 HydrophobicContact CB-CB 3.71Å; N441-D444 WeakPolarHBondContact CB-OD2 3.29Å; N441-D444 PolarHBondContact ND2-OD2 3.3Å; N441-D444 PolarHBondContact O-N 3.32Å; S442-D444 PolarHBondContact O-N 2.85Å; D444-Q447 PolarHBondContact O-N 3.4Å; D444-K448 VanDerWaalsContact O-CB 3.28Å; D444-K448 WeakPolarHBondContact O-CB 3.48Å; D444-K448 WeakPolarHBondContact O-CG 3.28Å; D444-K448 PolarHBondContact O-N 3.29Å
445I31.1Very low31.8Very low60 Ų6089.7 Ų89.731%0.30848%0.48SS..Hα-helixtrans-79.5-29.6178.1-56.3175.3000111.2S442 Q447 T449S442-I445 PolarHBondContact O-N 3.14Å; I445-Q447 PolarHBondContact O-N 2.85Å; I445-T449 PolarHBondContact O-OG1 3.13Å; I445-T449 VanDerWaalsContact O-OG1 3.06Å
446T30.1Very low33.2Very low74 Ų7494.1 Ų94.145%0.45449%0.485SS..Hα-helixtrans-67.9-17.3171.758.50000113.8S442 N443S442-T446 WeakPolarHBondContact O-CG2 3.38Å; S442-T446 PolarHBondContact O-N 3.47Å; S442-T446 VanDerWaalsContact O-N 3.16Å; S442-T446 PolarHBondContact O-OG1 3.09Å; N443-T446 WeakPolarHBondContact CA-OG1 3.26Å; N443-T446 PolarHBondContact O-N 2.83Å; N443-T446 PolarHBondContact O-OG1 3.5Å
447Q27.7Very low34.5Very low139 Ų13989.9 Ų89.965%0.6547%0.47SS*.Hα-helixtrans-109.6-33.1177.6-66.6-172.1-2.100113.6N443 D444 I445N443-Q447 PolarHBondContact O-N 2.81Å; D444-Q447 PolarHBondContact O-N 3.4Å; I445-Q447 PolarHBondContact O-N 2.85Å
448K30.3Very low35.6Very low146 Ų14690.4 Ų90.464%0.63547%0.47SS*.Hα-helixtrans-84-9.7-174.8-71.9-177.2179.51730116.3D444D444-K448 VanDerWaalsContact O-CB 3.28Å; D444-K448 WeakPolarHBondContact O-CB 3.48Å; D444-K448 WeakPolarHBondContact O-CG 3.28Å; D444-K448 PolarHBondContact O-N 3.29Å
449T27.7Very low37.4Very low85 Ų8594.6 Ų94.652%0.52148%0.484SS..THydrogen-bonded Turntrans-101.72.3174.452.10000114.7R184 I445R184-T449 PolarHBondContact NH2-OG1 3.46Å; I445-T449 PolarHBondContact O-OG1 3.13Å; I445-T449 VanDerWaalsContact O-OG1 3.06Å
450F26Very low38.5Very low164 Ų16496.7 Ų96.772%0.71950%0.495SS*.SBendtrans-99.384.2138.7-68.6-84.8000104.4D452F450-D452 PolarHBondContact O-N 3.12Å
451T29.7Very low40.2Very low112 Ų11296.5 Ų96.569%0.68749%0.49SS*.  trans-43.1120.6150.743.50000104.6V453T451-V453 PolarHBondContact O-N 2.89Å
452D30.4Very low41.5Very low147 Ų14796.9 Ų96.979%0.78649%0.492SS*.  trans-35.2113.8170.3-74.7-41.6000105.2F450 C454F450-D452 PolarHBondContact O-N 3.12Å; D452-C454 VanDerWaalsContact C-N 3.3Å; D452-C454 PolarHBondContact O-N 3.02Å
453V36.5Very low43.4Very low66 Ų6696.5 Ų96.540%0.449%0.493SS..  trans-52.4114.3175.5178.20000101.9T451 E455 D457 I461T451-V453 PolarHBondContact O-N 2.89Å; V453-E455 PolarHBondContact O-N 3.16Å; V453-D457 HydrophobicContact CG1-CB 3.48Å; V453-D457 VanDerWaalsContact CG1-CB 3.48Å; V453-I461 HydrophobicContact CG1-CD1 4.18Å
454C42.7Very low45.2Very low70 Ų7099.1 Ų99.147%0.47350%0.5SS..  trans-46.9136.6-174.6175.70000105.7D452 Y456 D457 Y458D452-C454 VanDerWaalsContact C-N 3.3Å; D452-C454 PolarHBondContact O-N 3.02Å; C454-Y456 CarbonylContact O-C 3.55Å; C454-Y456 PolarHBondContact O-N 3.29Å; C454-D457 HydrophobicContact CB-CB 4.32Å; C454-D457 WeakPolarHBondContact O-CA 3.47Å; C454-D457 PolarHBondContact O-N 3.29Å; C454-Y458 PolarHBondContact O-N 3.22Å
455E53.1Low46.6Very low136 Ų13699.1 Ų99.164%0.63650%0.5SS*.Hα-helixtrans-48.9-29.8-175.6-163.3-167.5150.400110.9V453 K459V453-E455 PolarHBondContact O-N 3.16Å; E455-K459 VanDerWaalsContact O-CB 3.31Å; E455-K459 WeakPolarHBondContact O-CB 3.3Å; E455-K459 WeakPolarHBondContact O-CD 3.38Å; E455-K459 WeakPolarHBondContact O-CG 3.27Å; E455-K459 PolarHBondContact O-N 3.11Å; E455-K459 WeakPolarHBondContact OE1-CE 3.34Å; E455-K459 IonicContact OE1-NZ 3.73Å; E455-K459 PolarHBondContact OE1-NZ 3.24Å
456Y57.3Low48.2Very low149 Ų149101.8 Ų101.858%0.58451%0.509SS*.Hα-helixtrans-60.8-55.7167.3-171.4-98.4000115.6C454 Y458 K459 Q460C454-Y456 CarbonylContact O-C 3.55Å; C454-Y456 PolarHBondContact O-N 3.29Å; Y456-Y458 VanDerWaalsContact C-N 3.25Å; Y456-Y458 PolarHBondContact O-N 3.01Å; Y456-K459 PolarHBondContact O-N 3.4Å; Y456-Q460 HydrophobicContact CE1-CG 4.2Å; Y456-Q460 VanDerWaalsContact CZ-NE2 3.29Å; Y456-Q460 PolarHBondContact O-N 3.47Å; Y456-Q460 PolarHBondContact OH-NE2 2.9Å
457D54.1Low50.1Low79 Ų79103.5 Ų103.542%0.42251%0.512SS..Hα-helixtrans-61.6-35.5178.6-66.4-28.3000111.1V453 C454 Q460 I461V453-D457 HydrophobicContact CG1-CB 3.48Å; V453-D457 VanDerWaalsContact CG1-CB 3.48Å; C454-D457 HydrophobicContact CB-CB 4.32Å; C454-D457 WeakPolarHBondContact O-CA 3.47Å; C454-D457 PolarHBondContact O-N 3.29Å; D457-Q460 PolarHBondContact O-N 3Å; D457-I461 WeakPolarHBondContact O-CB 3.38Å; D457-I461 VanDerWaalsContact O-CG1 3.25Å; D457-I461 WeakPolarHBondContact O-CG1 3.32Å; D457-I461 PolarHBondContact O-N 3.41Å
458Y55.2Low51.7Low61 Ų61101.4 Ų101.424%0.23950%0.504CS..Hα-helixtrans-71.9-42.4178-175.6-102.5000110.7I70 L74 C454 Y456 Q460 I461 N462I70-Y458 WeakPolarHBondContact CG2-OH 3.35Å; L74-Y458 HydrophobicContact CD1-CD1 3.99Å; L74-Y458 HydrophobicContact CD1-CE1 3.2Å; L74-Y458 HydrophobicContact CD1-CE2 3.96Å; L74-Y458 VanDerWaalsContact CD1-OH 3.3Å; L74-Y458 WeakPolarHBondContact CD1-OH 3.47Å; L74-Y458 HydrophobicContact CD2-CE2 4.28Å; C454-Y458 PolarHBondContact O-N 3.22Å; Y456-Y458 VanDerWaalsContact C-N 3.25Å; Y456-Y458 PolarHBondContact O-N 3.01Å; Y458-Q460 VanDerWaalsContact C-N 3.29Å; Y458-Q460 PolarHBondContact O-N 3.14Å; Y458-I461 PolarHBondContact O-N 2.9Å; Y458-N462 WeakPolarHBondContact CE1-ND2 3.5Å; Y458-N462 WeakPolarHBondContact O-CB 3.31Å; Y458-N462 PolarHBondContact O-N 3.49Å; Y458-N462 PolarHBondContact OH-ND2 3.08Å; Y458-N462 PolarHBondContact OH-OD1 3.02Å
459K65.1Low52.6Low125 Ų125100.9 Ų100.954%0.54350%0.498SS..Hα-helixtrans-58.3-40.7171.8-79.7171.5-175169.60111.5E455 Y456 A463E455-K459 VanDerWaalsContact O-CB 3.31Å; E455-K459 WeakPolarHBondContact O-CB 3.3Å; E455-K459 WeakPolarHBondContact O-CD 3.38Å; E455-K459 WeakPolarHBondContact O-CG 3.27Å; E455-K459 PolarHBondContact O-N 3.11Å; E455-K459 WeakPolarHBondContact OE1-CE 3.34Å; E455-K459 IonicContact OE1-NZ 3.73Å; E455-K459 PolarHBondContact OE1-NZ 3.24Å; Y456-K459 PolarHBondContact O-N 3.4Å; K459-A463 VanDerWaalsContact O-CB 3.25Å; K459-A463 WeakPolarHBondContact O-CB 3.32Å; K459-A463 PolarHBondContact O-N 3.01Å
460Q65.7Low54.2Low88 Ų88103.6 Ų103.641%0.41151%0.505SS..Hα-helixtrans-66.6-44.5175.2-76.5-160.90.900112.9Y456 D457 Y458 A463 K464Y456-Q460 HydrophobicContact CE1-CG 4.2Å; Y456-Q460 VanDerWaalsContact CZ-NE2 3.29Å; Y456-Q460 PolarHBondContact O-N 3.47Å; Y456-Q460 PolarHBondContact OH-NE2 2.9Å; D457-Q460 PolarHBondContact O-N 3Å; Y458-Q460 VanDerWaalsContact C-N 3.29Å; Y458-Q460 PolarHBondContact O-N 3.14Å; Q460-A463 PolarHBondContact O-N 3.34Å; Q460-K464 PolarHBondContact O-N 3.02Å
461I63.5Low55.7Low83 Ų83105.2 Ų105.243%0.42651%0.506SS..Hα-helixtrans-62.3-45.1176.9-70.4165.9000110.1V453 D457 Y458 A463 K464 I465V453-I461 HydrophobicContact CG1-CD1 4.18Å; D457-I461 WeakPolarHBondContact O-CB 3.38Å; D457-I461 VanDerWaalsContact O-CG1 3.25Å; D457-I461 WeakPolarHBondContact O-CG1 3.32Å; D457-I461 PolarHBondContact O-N 3.41Å; Y458-I461 PolarHBondContact O-N 2.9Å; I461-A463 PolarHBondContact O-N 3.38Å; I461-K464 PolarHBondContact O-N 3.35Å; I461-I465 HydrophobicContact CG2-CD1 3.77Å; I461-I465 HydrophobicContact CG2-CG1 4.38Å; I461-I465 VanDerWaalsContact O-CG1 3.3Å; I461-I465 WeakPolarHBondContact O-CG1 3.48Å; I461-I465 PolarHBondContact O-N 2.93Å
462N55.5Low56.5Low54 Ų54105.5 Ų105.529%0.28950%0.504SS..Hα-helixtrans-66.5-35.6176.4-900.9000113.2Y458 I465 K466Y458-N462 WeakPolarHBondContact CE1-ND2 3.5Å; Y458-N462 WeakPolarHBondContact O-CB 3.31Å; Y458-N462 PolarHBondContact O-N 3.49Å; Y458-N462 PolarHBondContact OH-ND2 3.08Å; Y458-N462 PolarHBondContact OH-OD1 3.02Å; N462-I465 PolarHBondContact O-N 3.27Å; N462-K466 WeakPolarHBondContact O-CB 3.24Å; N462-K466 WeakPolarHBondContact O-CG 3.35Å; N462-K466 PolarHBondContact O-N 2.94Å
463A72.7Confident57Low53 Ų53105.5 Ų105.544%0.43850%0.497SS..Hα-helixtrans-62.9-45.1172.200000110.9K459 Q460 I461 K466 E467K459-A463 VanDerWaalsContact O-CB 3.25Å; K459-A463 WeakPolarHBondContact O-CB 3.32Å; K459-A463 PolarHBondContact O-N 3.01Å; Q460-A463 PolarHBondContact O-N 3.34Å; I461-A463 PolarHBondContact O-N 3.38Å; A463-K466 PolarHBondContact O-N 2.93Å; A463-E467 PolarHBondContact O-N 2.6Å
464K68.1Low57.1Low131 Ų131105.7 Ų105.757%0.5750%0.5SS*.Hα-helixtrans-62.7-42173.7-84.7-179.7174.9174.10112.7Q460 I461 K466 E467 I468Q460-K464 PolarHBondContact O-N 3.02Å; I461-K464 PolarHBondContact O-N 3.35Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K464-E467 PolarHBondContact O-N 2.99Å; K464-I468 WeakPolarHBondContact O-CB 3.45Å; K464-I468 VanDerWaalsContact O-CG1 3.22Å; K464-I468 WeakPolarHBondContact O-CG1 3.47Å; K464-I468 PolarHBondContact O-N 2.99Å
465I57.3Low56.9Low60 Ų60113.3 Ų113.331%0.30852%0.519SS..Hα-helixtrans-63.5-41.7175.3-70.1168.9000110.2I461 N462 I468 R469I461-I465 HydrophobicContact CG2-CD1 3.77Å; I461-I465 HydrophobicContact CG2-CG1 4.38Å; I461-I465 VanDerWaalsContact O-CG1 3.3Å; I461-I465 WeakPolarHBondContact O-CG1 3.48Å; I461-I465 PolarHBondContact O-N 2.93Å; N462-I465 PolarHBondContact O-N 3.27Å; I465-I468 PolarHBondContact O-N 3.11Å; I465-R469 HydrophobicContact CG2-CG 4.32Å; I465-R469 WeakPolarHBondContact O-CB 3.36Å; I465-R469 VanDerWaalsContact O-CG 3.24Å; I465-R469 WeakPolarHBondContact O-CG 3.44Å; I465-R469 PolarHBondContact O-N 2.89Å
466K63.4Low56Low115 Ų115113.6 Ų113.650%0.552%0.52SS..Hα-helixtrans-61.6-43.8173.4-79.8-176.5176.9-173.50111.7N462 A463 K464 R469 Q470N462-K466 WeakPolarHBondContact O-CB 3.24Å; N462-K466 WeakPolarHBondContact O-CG 3.35Å; N462-K466 PolarHBondContact O-N 2.94Å; A463-K466 PolarHBondContact O-N 2.93Å; K464-K466 VanDerWaalsContact C-N 3.34Å; K466-R469 PolarHBondContact O-N 2.9Å; K466-Q470 WeakPolarHBondContact O-CB 3.5Å; K466-Q470 VanDerWaalsContact O-CG 3.27Å; K466-Q470 WeakPolarHBondContact O-CG 3.43Å; K466-Q470 PolarHBondContact O-N 3.06Å
467E70.4Confident54.9Low110 Ų110115.2 Ų115.251%0.51453%0.53SS..Hα-helixtrans-62.1-45174.2-84.5-170.5147.600112.6A463 K464 R469 Q470 R471A463-E467 PolarHBondContact O-N 2.6Å; K464-E467 PolarHBondContact O-N 2.99Å; E467-R469 VanDerWaalsContact C-N 3.35Å; E467-Q470 PolarHBondContact O-N 3.41Å; E467-R471 WeakPolarHBondContact O-CB 3.47Å; E467-R471 WeakPolarHBondContact O-CG 3.29Å; E467-R471 PolarHBondContact O-N 3.22Å
468I60.4Low53.7Low95 Ų95118.6 Ų118.649%0.48755%0.545SS..Hα-helixtrans-63.4-43.1177.6-68.6164000110.2K464 I465 R471 N472K464-I468 WeakPolarHBondContact O-CB 3.45Å; K464-I468 VanDerWaalsContact O-CG1 3.22Å; K464-I468 WeakPolarHBondContact O-CG1 3.47Å; K464-I468 PolarHBondContact O-N 2.99Å; I465-I468 PolarHBondContact O-N 3.11Å; I468-R471 PolarHBondContact O-N 3.39Å; I468-N472 VanDerWaalsContact O-CB 3.29Å; I468-N472 WeakPolarHBondContact O-CB 3.41Å; I468-N472 PolarHBondContact O-N 2.95Å
469R49.8Very low52.5Low136 Ų136124.1 Ų124.151%0.51357%0.573SS.*Hα-helixtrans-63.8-42.1175.3-73.3175.7-179.3-177.10.8111I465 K466 E467 R471 F473I465-R469 HydrophobicContact CG2-CG 4.32Å; I465-R469 WeakPolarHBondContact O-CB 3.36Å; I465-R469 VanDerWaalsContact O-CG 3.24Å; I465-R469 WeakPolarHBondContact O-CG 3.44Å; I465-R469 PolarHBondContact O-N 2.89Å; K466-R469 PolarHBondContact O-N 2.9Å; E467-R469 VanDerWaalsContact C-N 3.35Å; R469-R471 PolarHBondContact O-N 3.45Å; R469-F473 VanDerWaalsContact O-CB 3.3Å; R469-F473 WeakPolarHBondContact O-CB 3.43Å; R469-F473 VanDerWaalsContact O-CD2 3.28Å; R469-F473 WeakPolarHBondContact O-CD2 3.22Å; R469-F473 PolarHBondContact O-N 3.07Å
470Q61.9Low51Low142 Ų142124.7 Ų124.766%0.66459%0.587SS**Hα-helixtrans-68-32.6175.5-73.7177.30.500113.3K466 E467 F473K466-Q470 WeakPolarHBondContact O-CB 3.5Å; K466-Q470 VanDerWaalsContact O-CG 3.27Å; K466-Q470 WeakPolarHBondContact O-CG 3.43Å; K466-Q470 PolarHBondContact O-N 3.06Å; E467-Q470 PolarHBondContact O-N 3.41Å; Q470-F473 CarbonylContact O-C 3.31Å; Q470-F473 VanDerWaalsContact O-C 3.31Å
471R57Low49.6Very low197 Ų197134.2 Ų134.274%0.74363%0.627SS**Hα-helixtrans-74.1-38.3175-83.7-175.4179.4173.62.8113.2E467 I468 R469 P474E467-R471 WeakPolarHBondContact O-CB 3.47Å; E467-R471 WeakPolarHBondContact O-CG 3.29Å; E467-R471 PolarHBondContact O-N 3.22Å; I468-R471 PolarHBondContact O-N 3.39Å; R469-R471 PolarHBondContact O-N 3.45Å; R471-P474 WeakPolarHBondContact O-CD 3.43Å
472N47.2Very low48.9Very low118 Ų118136.8 Ų136.863%0.63164%0.637SS**Hα-helixtrans-83.5-24.7-179.6-72.7-10000112.5I468 P474I468-N472 VanDerWaalsContact O-CB 3.29Å; I468-N472 WeakPolarHBondContact O-CB 3.41Å; I468-N472 PolarHBondContact O-N 2.95Å; N472-P474 WeakPolarHBondContact O-CD 3.48Å
473F40.3Very low48.5Very low147 Ų147141.2 Ų141.265%0.64566%0.656SS**SBendtrans-111.867.3167.1-60-84000108.8R469 Q470 R475R469-F473 VanDerWaalsContact O-CB 3.3Å; R469-F473 WeakPolarHBondContact O-CB 3.43Å; R469-F473 VanDerWaalsContact O-CD2 3.28Å; R469-F473 WeakPolarHBondContact O-CD2 3.22Å; R469-F473 PolarHBondContact O-N 3.07Å; Q470-F473 CarbonylContact O-C 3.31Å; Q470-F473 VanDerWaalsContact O-C 3.31Å; F473-R475 PolarHBondContact O-N 3.49Å
474P39.7Very low47.2Very low71 Ų71146.1 Ų146.146%0.46167%0.668SS.*  trans-56142.7163.924.1-24000106.3R471 N472 Q476R471-P474 WeakPolarHBondContact O-CD 3.43Å; N472-P474 WeakPolarHBondContact O-CD 3.48Å; P474-Q476 HydrophobicContact CG-CG 4.2Å; P474-Q476 PolarHBondContact O-N 3.31Å
475R38Very low45.9Very low230 Ų230146.9 Ų146.987%0.86867%0.674SS**  trans-58.269.8168-68.9177.7174.3177.7-2.9109.1F473 F477 M478F473-R475 PolarHBondContact O-N 3.49Å; R475-F477 PolarHBondContact O-N 3.5Å; R475-M478 PolarHBondContact O-N 3.48Å
476Q32.6Very low45.2Very low142 Ų142152.4 Ų152.466%0.66470%0.696SS**THydrogen-bonded Turntrans-62.4132.3162.1-70.5-177.8-3.200104.7P474P474-Q476 HydrophobicContact CG-CG 4.2Å; P474-Q476 PolarHBondContact O-N 3.31Å
477F35.2Very low44Very low183 Ų183154.9 Ų154.980%0.80371%0.71SS**THydrogen-bonded Turntrans81.343.8-168.7-41.2-71.4000115.3R475R475-F477 PolarHBondContact O-N 3.5Å
478M29.8Very low42.1Very low150 Ų150158.1 Ų158.174%0.73972%0.724SS**SBend-93.397.7122-78.2-132.7172.500106.9R475R475-M478 PolarHBondContact O-N 3.48Å
479H29.6Very low40.7Very low177 Ų177162.9 Ų162.982%0.81974%0.742SS**  trans151.692.5155.1-77.6-45.7000110.3
480T32.6Very low40Very low137 Ų137165.2 Ų165.284%0.8476%0.761SS**  trans-158.797134.7420000108.5
481K35.8Very low38Very low288 Ų288167.3 Ų167.3100%1.25277%0.77SS**  trans54.60167.7-69.8-174.7177.81800118.7

Retrieved 481 of 481 residues in 206.3 ms (Link to these results)

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