A0A5K4F2S7_SCHMA Loading...

MMS19 nucleotide excision repair protein

Key component of the cytosolic iron-sulfur protein assembly (CIA) complex, a multiprotein complex that mediates the incorporation of iron-sulfur cluster into apoproteins specifically involved in DNA metabolism and genomic integrity. In the CIA complex, MMS19 acts as an adapter between early-acting CIA components and a subset of cellular target iron-sulfur proteins.

AlphaFold DB , UniProt , Accession A0A5K4F2S7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,229 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
1M54.6Low80.6Confident136 Ų13669.8 Ų69.867%0.6736%0.362SS*.  0135.70-76.2162.7174.700107L7 S10M1-L7 VanDerWaalsContact SD-CA 3.52Å; M1-L7 HydrophobicContact SD-CB 3.83Å; M1-L7 HydrophobicContact SD-CD1 3.41Å; M1-L7 WeakPolarHBondContact SD-CD1 3.24Å; M1-L7 HydrophobicContact SD-CG 4.23Å; M1-S10 VanDerWaalsContact CE-CB 3.48Å; M1-S10 WeakPolarHBondContact CE-OG 3.47Å
2E66.8Low81Confident163 Ų16374.7 Ų74.776%0.76238%0.382SS*.  trans-89.8-19.6-171-67.9-176.1171.100113.5N41E2-N41 PolarHBondContact O-ND2 2.83Å
3S82.4Confident81.2Confident30 Ų3076.5 Ų76.521%0.2141%0.405CS..SBendtrans-131.7156178.179.40000112.8L5 D6 L7S3-L5 VanDerWaalsContact C-N 3.33Å; S3-D6 PolarHBondContact O-N 3.18Å; S3-D6 PolarHBondContact OG-N 2.8Å; S3-D6 VanDerWaalsContact OG-N 3.17Å; S3-D6 PolarHBondContact OG-OD2 3.47Å; S3-L7 PolarHBondContact O-N 3.46Å
4L83.2Confident81.3Confident0 Ų071.3 Ų71.30%038%0.379CS..Hα-helixtrans-66-36.5175.3177.554.3000111.7D6 L7 I8 I34 I37 I42 E46L4-D6 PolarHBondContact O-N 2.95Å; L4-L7 HydrophobicContact CD1-CD2 4.46Å; L4-L7 WeakPolarHBondContact O-CB 3.41Å; L4-L7 PolarHBondContact O-N 2.75Å; L4-I8 HydrophobicContact CD1-CD1 4.06Å; L4-I8 HydrophobicContact CD1-CG1 4.24Å; L4-I8 HydrophobicContact CG-CD1 4Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.3Å; L4-I34 HydrophobicContact CD1-CD1 4.29Å; L4-I34 HydrophobicContact CD1-CG1 3.71Å; L4-I37 HydrophobicContact CB-CD1 4.21Å; L4-I37 HydrophobicContact CD1-CD1 4.3Å; L4-I42 HydrophobicContact CD2-CG2 4.07Å; L4-E46 HydrophobicContact CD2-CB 3.73Å
5L84.1Confident81.4Confident93 Ų9367.3 Ų67.349%0.48736%0.358SS..Hα-helixtrans-60.7-44.6176.3-174.766.6000112.4S3 L7 I8 Q9S3-L5 VanDerWaalsContact C-N 3.33Å; L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 PolarHBondContact O-N 3.2Å; L5-I8 PolarHBondContact O-N 3.41Å; L5-Q9 WeakPolarHBondContact O-CG 3.4Å; L5-Q9 PolarHBondContact O-N 2.65Å
6D84.6Confident81.4Confident75 Ų7569.3 Ų69.340%0.40137%0.374SS..Hα-helixtrans-62.9-38.3178.6-61.6-37.6000111.5S3 L4 S10S3-D6 PolarHBondContact O-N 3.18Å; S3-D6 PolarHBondContact OG-N 2.8Å; S3-D6 VanDerWaalsContact OG-N 3.17Å; S3-D6 PolarHBondContact OG-OD2 3.47Å; L4-D6 PolarHBondContact O-N 2.95Å; D6-S10 WeakPolarHBondContact O-CB 3.22Å; D6-S10 PolarHBondContact O-N 3.2Å
7L85.5Confident81.4Confident8 Ų867.9 Ų67.94%0.04237%0.366CS..Hα-helixtrans-62.4-49.2175.2177.765.8000110.9M1 S3 L4 L5 Q9 S10 L11 L30 I34 I37M1-L7 VanDerWaalsContact SD-CA 3.52Å; M1-L7 HydrophobicContact SD-CB 3.83Å; M1-L7 HydrophobicContact SD-CD1 3.41Å; M1-L7 WeakPolarHBondContact SD-CD1 3.24Å; M1-L7 HydrophobicContact SD-CG 4.23Å; S3-L7 PolarHBondContact O-N 3.46Å; L4-L7 HydrophobicContact CD1-CD2 4.46Å; L4-L7 WeakPolarHBondContact O-CB 3.41Å; L4-L7 PolarHBondContact O-N 2.75Å; L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 PolarHBondContact O-N 3.2Å; L7-Q9 PolarHBondContact O-N 3.36Å; L7-S10 PolarHBondContact O-N 3.15Å; L7-S10 PolarHBondContact O-OG 2.9Å; L7-L11 HydrophobicContact CD1-CD1 4Å; L7-L11 HydrophobicContact CG-CD1 4.19Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 3.07Å; L7-L30 HydrophobicContact CD2-CD1 4.06Å; L7-L30 HydrophobicContact CG-CD1 4.3Å; L7-I34 HydrophobicContact CD2-CG1 4.2Å; L7-I37 HydrophobicContact CB-CD1 4.4Å; L7-I37 HydrophobicContact CD2-CD1 3.93Å
8I86.2Confident81.2Confident68 Ų6871.6 Ų71.635%0.34939%0.391SS..Hα-helixtrans-62.2-45.5179.8-67.4168.7000111.1L4 L5 S10 L11 E12 L30L4-I8 HydrophobicContact CD1-CD1 4.06Å; L4-I8 HydrophobicContact CD1-CG1 4.24Å; L4-I8 HydrophobicContact CG-CD1 4Å; L4-I8 WeakPolarHBondContact O-CG1 3.46Å; L4-I8 PolarHBondContact O-N 3.3Å; L5-I8 PolarHBondContact O-N 3.41Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 3.44Å; I8-L11 CarbonylContact O-C 3.57Å; I8-L11 PolarHBondContact O-N 3.21Å; I8-E12 PolarHBondContact O-N 3.42Å; I8-E12 VanDerWaalsContact O-N 3.15Å; I8-L30 HydrophobicContact CG1-CD1 4.04Å
9Q86.2Confident81.3Confident115 Ų11574.9 Ų74.954%0.53740%0.401SS..Hα-helixtrans-60.2-39.4178-74.6-179.8-2.700112.2L5 L7 L11 E12L5-Q9 WeakPolarHBondContact O-CG 3.4Å; L5-Q9 PolarHBondContact O-N 2.65Å; L7-Q9 PolarHBondContact O-N 3.36Å; Q9-L11 PolarHBondContact O-N 2.95Å; Q9-E12 WeakPolarHBondContact O-CB 3.23Å; Q9-E12 PolarHBondContact O-N 3.2Å
10S85.5Confident81.1Confident61 Ų6175.5 Ų75.543%0.42740%0.404SS..Hα-helixtrans-65.3-22.5177.577.40000113.8M1 D6 L7 I8M1-S10 VanDerWaalsContact CE-CB 3.48Å; M1-S10 WeakPolarHBondContact CE-OG 3.47Å; D6-S10 WeakPolarHBondContact O-CB 3.22Å; D6-S10 PolarHBondContact O-N 3.2Å; L7-S10 PolarHBondContact O-N 3.15Å; L7-S10 PolarHBondContact O-OG 2.9Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 PolarHBondContact O-N 3.44Å
11L87.4Confident81.2Confident19 Ų1976.6 Ų76.610%0.09941%0.413CS..Hα-helixtrans-102.1-0.6-177.6-62.5172.9000112.8L7 I8 Q9 S13 G14 L15 T29 L30L7-L11 HydrophobicContact CD1-CD1 4Å; L7-L11 HydrophobicContact CG-CD1 4.19Å; L7-L11 WeakPolarHBondContact O-CG 3.4Å; L7-L11 PolarHBondContact O-N 3.07Å; I8-L11 CarbonylContact O-C 3.57Å; I8-L11 PolarHBondContact O-N 3.21Å; Q9-L11 PolarHBondContact O-N 2.95Å; L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 3.33Å; L11-G14 PolarHBondContact O-N 2.99Å; L11-L15 HydrophobicContact CB-CD1 3.75Å; L11-L15 HydrophobicContact CB-CG 3.91Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 2.98Å; L11-T29 HydrophobicContact CD1-CG2 4.37Å; L11-T29 HydrophobicContact CD2-CG2 3.91Å; L11-L30 HydrophobicContact CD1-CB 3.87Å; L11-L30 HydrophobicContact CD1-CD1 4.3Å
12E85.6Confident82.5Confident128 Ų12871.6 Ų71.660%0.59839%0.392SS*.Hα-helixtrans-51.6-46.7-173.1-175.7-177.5176.200112.4I8 Q9 G14 T16I8-E12 PolarHBondContact O-N 3.42Å; I8-E12 VanDerWaalsContact O-N 3.15Å; Q9-E12 WeakPolarHBondContact O-CB 3.23Å; Q9-E12 PolarHBondContact O-N 3.2Å; E12-G14 PolarHBondContact O-N 3.02Å; E12-T16 WeakPolarHBondContact O-CB 3.44Å; E12-T16 PolarHBondContact O-N 2.84Å; E12-T16 VanDerWaalsContact O-N 3.14Å; E12-T16 PolarHBondContact O-OG1 3.36Å
13S82.8Confident83.3Confident98 Ų9864.9 Ų64.969%0.68536%0.36SS*.Hα-helixtrans-64.6-27-178580000113.7L11L11-S13 VanDerWaalsContact C-N 3.3Å; L11-S13 PolarHBondContact O-N 3.33Å
14G83.1Confident83.4Confident4 Ų466.3 Ų66.34%0.04136%0.363CS..Hα-helixtrans-95.3-35.1-17900000113.3L11 E12 T16 D17 Q23 S26L11-G14 PolarHBondContact O-N 2.99Å; E12-G14 PolarHBondContact O-N 3.02Å; G14-T16 VanDerWaalsContact C-N 3.26Å; G14-T16 PolarHBondContact O-N 2.69Å; G14-D17 PolarHBondContact O-N 3.37Å; G14-Q23 WeakPolarHBondContact O-CA 3.33Å; G14-S26 VanDerWaalsContact C-OG 3.3Å; G14-S26 WeakPolarHBondContact CA-OG 3.48Å
15L82.6Confident83.5Confident12 Ų1270.7 Ų70.76%0.06339%0.386CS..Hα-helixtrans-69.4-23.1174.7-64.4173.7000113.2L11 I27 L30 F53L11-L15 HydrophobicContact CB-CD1 3.75Å; L11-L15 HydrophobicContact CB-CG 3.91Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 2.98Å; L15-I27 HydrophobicContact CD2-CG1 3.97Å; L15-L30 HydrophobicContact CD2-CD2 4.47Å; L15-F53 HydrophobicContact CB-CZ 4.38Å; L15-F53 HydrophobicContact CD1-CZ 4.43Å; L15-F53 HydrophobicContact CD2-CE1 4.33Å; L15-F53 HydrophobicContact CD2-CZ 3.93Å; L15-F53 HydrophobicContact CG-CZ 4.47Å
16T82.1Confident83.6Confident99 Ų9966.9 Ų66.961%0.60737%0.368SS*.THydrogen-bonded Turntrans-103.8-1.1176.762.70000113.6E12 G14E12-T16 WeakPolarHBondContact O-CB 3.44Å; E12-T16 PolarHBondContact O-N 2.84Å; E12-T16 VanDerWaalsContact O-N 3.14Å; E12-T16 PolarHBondContact O-OG1 3.36Å; G14-T16 VanDerWaalsContact C-N 3.26Å; G14-T16 PolarHBondContact O-N 2.69Å
17D80.7Confident83.9Confident45 Ų4563.4 Ų63.424%0.24135%0.349CS..  trans-63.1148.2178-162-18.3000110.8G14 K19 S22 Q23G14-D17 PolarHBondContact O-N 3.37Å; D17-K19 VanDerWaalsContact C-N 3.29Å; D17-K19 PolarHBondContact OD1-N 2.97Å; D17-K19 VanDerWaalsContact OD1-N 3.11Å; D17-S22 WeakPolarHBondContact OD2-CB 3.47Å; D17-S22 PolarHBondContact OD2-OG 3.28Å; D17-Q23 WeakPolarHBondContact O-CG 3.16Å; D17-Q23 PolarHBondContact O-NE2 3.03Å
18T78.9Confident84Confident134 Ų13466.9 Ų66.982%0.82237%0.365SS*.SBendtrans-77.9-15.8173.4550000112.8
19K82.7Confident84Confident135 Ų13566.8 Ų66.859%0.58737%0.367SS*.  trans-84.5120.1178.5-66.3177.3-177172.70111.7D17 T21 S22 Q23D17-K19 VanDerWaalsContact C-N 3.29Å; D17-K19 PolarHBondContact OD1-N 2.97Å; D17-K19 VanDerWaalsContact OD1-N 3.11Å; K19-T21 PolarHBondContact O-N 3.43Å; K19-T21 VanDerWaalsContact O-N 3.17Å; K19-S22 WeakPolarHBondContact O-CB 3.32Å; K19-S22 PolarHBondContact O-N 2.66Å; K19-Q23 PolarHBondContact O-N 3.1Å; K19-Q23 VanDerWaalsContact O-N 3.09Å
20I77.9Confident84.2Confident87 Ų8761.4 Ų61.445%0.44634%0.342SS..Hα-helixtrans-53.9-37.2177-61.3174.9000112.2Q23 K24 D62 I65I20-Q23 PolarHBondContact O-N 3.05Å; I20-K24 WeakPolarHBondContact O-CB 3.41Å; I20-K24 PolarHBondContact O-N 3.11Å; I20-D62 HydrophobicContact CG2-CB 4.27Å; I20-I65 HydrophobicContact CG2-CD1 3.85Å
21T81.4Confident84.3Confident98 Ų9858.8 Ų58.860%0.60132%0.324SS*.Hα-helixtrans-64.6-41.7179.1560000112.5K19 K24 D25K19-T21 PolarHBondContact O-N 3.43Å; K19-T21 VanDerWaalsContact O-N 3.17Å; T21-K24 PolarHBondContact O-N 3.34Å; T21-D25 PolarHBondContact O-N 2.92Å; T21-D25 VanDerWaalsContact O-N 3.1Å
22S82.6Confident84.2Confident32 Ų3261.7 Ų61.722%0.22434%0.342CS..Hα-helixtrans-68.6-41.2178.4-174.60000111.2D17 K19 S26D17-S22 WeakPolarHBondContact OD2-CB 3.47Å; D17-S22 PolarHBondContact OD2-OG 3.28Å; K19-S22 WeakPolarHBondContact O-CB 3.32Å; K19-S22 PolarHBondContact O-N 2.66Å; S22-S26 WeakPolarHBondContact O-CB 3.28Å; S22-S26 PolarHBondContact O-N 3.35Å; S22-S26 PolarHBondContact O-OG 3.5Å
23Q83.7Confident84.2Confident22 Ų2256.1 Ų56.110%0.10332%0.319CS..Hα-helixtrans-61.8-44.1172.8-68.8-177.1-17.300111.7G14 D17 K19 I20 S26 I27G14-Q23 WeakPolarHBondContact O-CA 3.33Å; D17-Q23 WeakPolarHBondContact O-CG 3.16Å; D17-Q23 PolarHBondContact O-NE2 3.03Å; K19-Q23 PolarHBondContact O-N 3.1Å; K19-Q23 VanDerWaalsContact O-N 3.09Å; I20-Q23 PolarHBondContact O-N 3.05Å; Q23-S26 PolarHBondContact O-N 2.91Å; Q23-I27 WeakPolarHBondContact O-CB 3.38Å; Q23-I27 VanDerWaalsContact O-CG1 3.23Å; Q23-I27 WeakPolarHBondContact O-CG1 3.38Å; Q23-I27 PolarHBondContact O-N 3.39Å
24K83.8Confident84.3Confident59 Ų5951.8 Ų51.826%0.25729%0.288SS..Hα-helixtrans-57.1-54.4177.7-180-172168-174.40111.2I20 T21 S26 I27 E28 N64 I65 L68I20-K24 WeakPolarHBondContact O-CB 3.41Å; I20-K24 PolarHBondContact O-N 3.11Å; T21-K24 PolarHBondContact O-N 3.34Å; K24-S26 PolarHBondContact O-N 2.66Å; K24-I27 PolarHBondContact O-N 3Å; K24-E28 WeakPolarHBondContact O-CB 3.46Å; K24-E28 PolarHBondContact O-N 3.42Å; K24-N64 HydrophobicContact CD-CB 4.21Å; K24-I65 HydrophobicContact CB-CD1 3.98Å; K24-I65 HydrophobicContact CB-CG1 3.8Å; K24-I65 HydrophobicContact CG-CG1 3.97Å; K24-L68 HydrophobicContact CG-CD1 4.37Å
25D85.7Confident84.3Confident93 Ų9356.1 Ų56.150%0.49731%0.306SS..Hα-helixtrans-61.4-36.5-178-63.5-13.7000111T21 T29T21-D25 PolarHBondContact O-N 2.92Å; T21-D25 VanDerWaalsContact O-N 3.1Å; D25-T29 WeakPolarHBondContact O-CB 3.47Å; D25-T29 PolarHBondContact O-N 3.5Å; D25-T29 PolarHBondContact O-OG1 3.01Å
26S87.7Confident84.3Confident13 Ų1360 Ų609%0.09133%0.334CS..Hα-helixtrans-70.7-40.8177.4-560000112.8G14 S22 Q23 K24 T29 L30G14-S26 VanDerWaalsContact C-OG 3.3Å; G14-S26 WeakPolarHBondContact CA-OG 3.48Å; S22-S26 WeakPolarHBondContact O-CB 3.28Å; S22-S26 PolarHBondContact O-N 3.35Å; S22-S26 PolarHBondContact O-OG 3.5Å; Q23-S26 PolarHBondContact O-N 2.91Å; K24-S26 PolarHBondContact O-N 2.66Å; S26-T29 PolarHBondContact O-N 3.17Å; S26-L30 VanDerWaalsContact O-CB 3.31Å; S26-L30 WeakPolarHBondContact O-CB 3.4Å; S26-L30 PolarHBondContact O-N 3.3Å
27I89.1Confident84.3Confident1 Ų155.6 Ų55.61%0.00531%0.307CS..Hα-helixtrans-68.3-40.4175.9-69.6167.3000110.4L15 Q23 K24 T29 L30 I31 L60 I65 I69L15-I27 HydrophobicContact CD2-CG1 3.97Å; Q23-I27 WeakPolarHBondContact O-CB 3.38Å; Q23-I27 VanDerWaalsContact O-CG1 3.23Å; Q23-I27 WeakPolarHBondContact O-CG1 3.38Å; Q23-I27 PolarHBondContact O-N 3.39Å; K24-I27 PolarHBondContact O-N 3Å; I27-T29 VanDerWaalsContact C-N 3.34Å; I27-L30 WeakPolarHBondContact O-CB 3.41Å; I27-L30 PolarHBondContact O-N 3.49Å; I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.38Å; I27-I31 WeakPolarHBondContact O-CG1 3.24Å; I27-I31 PolarHBondContact O-N 2.69Å; I27-L60 HydrophobicContact CD1-CD1 4.46Å; I27-I65 HydrophobicContact CD1-CG2 3.7Å; I27-I69 HydrophobicContact CG2-CG1 4.09Å
28E88.2Confident84.1Confident81 Ų8156.9 Ų56.938%0.37932%0.318SS..Hα-helixtrans-59.9-46.4174.1-172168.1178.100111K24 L30 I31 T32 L68K24-E28 WeakPolarHBondContact O-CB 3.46Å; K24-E28 PolarHBondContact O-N 3.42Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 2.94Å; E28-I31 PolarHBondContact O-N 3.33Å; E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 VanDerWaalsContact O-CG2 3.31Å; E28-T32 WeakPolarHBondContact O-CG2 3.46Å; E28-T32 PolarHBondContact O-N 3.28Å; E28-T32 PolarHBondContact O-OG1 3.06Å; E28-L68 HydrophobicContact CB-CD1 3.76Å; E28-L68 HydrophobicContact CB-CD2 4.4Å; E28-L68 HydrophobicContact CG-CD1 4.15Å; E28-L68 HydrophobicContact CG-CD2 4.01Å
29T87.3Confident84.1Confident66 Ų6653.1 Ų53.141%0.40529%0.292SS..Hα-helixtrans-64.5-37.3175.9-53.30000111.8L11 D25 S26 I27 T32 G33L11-T29 HydrophobicContact CD1-CG2 4.37Å; L11-T29 HydrophobicContact CD2-CG2 3.91Å; D25-T29 WeakPolarHBondContact O-CB 3.47Å; D25-T29 PolarHBondContact O-N 3.5Å; D25-T29 PolarHBondContact O-OG1 3.01Å; S26-T29 PolarHBondContact O-N 3.17Å; I27-T29 VanDerWaalsContact C-N 3.34Å; T29-T32 WeakPolarHBondContact CA-OG1 3.02Å; T29-T32 PolarHBondContact O-OG1 3.24Å; T29-G33 WeakPolarHBondContact O-CA 3.48Å; T29-G33 PolarHBondContact O-N 3.06Å
30L89Confident83.7Confident2 Ų251.5 Ų51.51%0.0130%0.298CS..Hα-helixtrans-63.1-50.9175.518063.7000111L7 I8 L11 L15 S26 I27 E28 G33 I34 L50 F53L7-L30 HydrophobicContact CD2-CD1 4.06Å; L7-L30 HydrophobicContact CG-CD1 4.3Å; I8-L30 HydrophobicContact CG1-CD1 4.04Å; L11-L30 HydrophobicContact CD1-CB 3.87Å; L11-L30 HydrophobicContact CD1-CD1 4.3Å; L15-L30 HydrophobicContact CD2-CD2 4.47Å; S26-L30 VanDerWaalsContact O-CB 3.31Å; S26-L30 WeakPolarHBondContact O-CB 3.4Å; S26-L30 PolarHBondContact O-N 3.3Å; I27-L30 WeakPolarHBondContact O-CB 3.41Å; I27-L30 PolarHBondContact O-N 3.49Å; E28-L30 VanDerWaalsContact C-N 3.33Å; E28-L30 PolarHBondContact O-N 2.94Å; L30-G33 PolarHBondContact O-N 3.26Å; L30-I34 HydrophobicContact CD1-CD1 3.76Å; L30-I34 HydrophobicContact CD1-CG1 4.19Å; L30-I34 HydrophobicContact CG-CD1 3.71Å; L30-I34 WeakPolarHBondContact O-CB 3.47Å; L30-I34 WeakPolarHBondContact O-CD1 3.25Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.31Å; L30-L50 HydrophobicContact CD2-CD1 4.21Å; L30-F53 HydrophobicContact CD2-CD1 4.26Å; L30-F53 HydrophobicContact CD2-CE1 3.85Å
31I87.9Confident83.8Confident7 Ų751 Ų514%0.03630%0.296CS..Hα-helixtrans-70.1-39.3-175.6-66.6177.3000111.6I27 E28 K35 L54 L68 I69I27-I31 HydrophobicContact CG2-CD1 3.82Å; I27-I31 HydrophobicContact CG2-CG1 4.38Å; I27-I31 WeakPolarHBondContact O-CG1 3.24Å; I27-I31 PolarHBondContact O-N 2.69Å; E28-I31 PolarHBondContact O-N 3.33Å; I31-K35 WeakPolarHBondContact O-CG 3.49Å; I31-K35 PolarHBondContact O-N 2.98Å; I31-L54 HydrophobicContact CD1-CD2 4.4Å; I31-L68 HydrophobicContact CD1-CB 4.16Å; I31-L68 WeakPolarHBondContact CD1-O 3.34Å; I31-I69 HydrophobicContact CD1-CG1 4.5Å
32T86Confident83.8Confident79 Ų7946.7 Ų46.749%0.48527%0.269SS..Hα-helixtrans-68.4-39.3172.953.50000111.5E28 T29 K35E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 VanDerWaalsContact O-CG2 3.31Å; E28-T32 WeakPolarHBondContact O-CG2 3.46Å; E28-T32 PolarHBondContact O-N 3.28Å; E28-T32 PolarHBondContact O-OG1 3.06Å; T29-T32 WeakPolarHBondContact CA-OG1 3.02Å; T29-T32 PolarHBondContact O-OG1 3.24Å; T32-K35 PolarHBondContact O-N 3.41Å
33G84.6Confident83.9Confident11 Ų1148.8 Ų48.811%0.11328%0.28CS..Hα-helixtrans-64.2-45.6177.500000113T29 L30 K35 S36 I37T29-G33 WeakPolarHBondContact O-CA 3.48Å; T29-G33 PolarHBondContact O-N 3.06Å; L30-G33 PolarHBondContact O-N 3.26Å; G33-K35 VanDerWaalsContact C-N 3.26Å; G33-K35 PolarHBondContact O-N 3.37Å; G33-S36 WeakPolarHBondContact O-CB 3.29Å; G33-S36 PolarHBondContact O-N 3.2Å; G33-S36 PolarHBondContact O-OG 3.14Å; G33-I37 PolarHBondContact O-N 2.71Å
34I85.1Confident83.9Confident7 Ų751.1 Ų51.14%0.03630%0.299CS..Hα-helixtrans-58.2-39.7178.2-70.9158000111.3L4 L7 L30 S36 I37 L50 W75L4-I34 HydrophobicContact CD1-CD1 4.29Å; L4-I34 HydrophobicContact CD1-CG1 3.71Å; L7-I34 HydrophobicContact CD2-CG1 4.2Å; L30-I34 HydrophobicContact CD1-CD1 3.76Å; L30-I34 HydrophobicContact CD1-CG1 4.19Å; L30-I34 HydrophobicContact CG-CD1 3.71Å; L30-I34 WeakPolarHBondContact O-CB 3.47Å; L30-I34 WeakPolarHBondContact O-CD1 3.25Å; L30-I34 WeakPolarHBondContact O-CG1 3.33Å; L30-I34 PolarHBondContact O-N 3.31Å; I34-S36 PolarHBondContact O-N 3.15Å; I34-S36 VanDerWaalsContact O-N 3.14Å; I34-I37 PolarHBondContact O-N 3.25Å; I34-L50 HydrophobicContact CD1-CD1 3.64Å; I34-L50 HydrophobicContact CD1-CD2 3.63Å; I34-L50 HydrophobicContact CD1-CG 4.28Å; I34-W75 HydrophobicContact CG2-CE3 4.37Å; I34-W75 HydrophobicContact CG2-CH2 4.07Å; I34-W75 HydrophobicContact CG2-CZ3 3.59Å
35K83.3Confident84Confident95 Ų9555.4 Ų55.441%0.41332%0.318SS..THydrogen-bonded Turntrans-61.1-21.7176.6-67.8176.4-179.7-179.50113.4I31 T32 G33 W75I31-K35 WeakPolarHBondContact O-CG 3.49Å; I31-K35 PolarHBondContact O-N 2.98Å; T32-K35 PolarHBondContact O-N 3.41Å; G33-K35 VanDerWaalsContact C-N 3.26Å; G33-K35 PolarHBondContact O-N 3.37Å; K35-W75 HydrophobicContact CB-CZ2 4.32Å; K35-W75 HydrophobicContact CD-CG 4.24Å; K35-W75 HydrophobicContact CG-CD2 3.75Å; K35-W75 HydrophobicContact CG-CE3 4.36Å; K35-W75 HydrophobicContact CG-CG 3.9Å; K35-W75 HydrophobicContact CG-CZ2 4.19Å
36S82.3Confident84Confident93 Ų9353.2 Ų53.265%0.6531%0.305SS*.THydrogen-bonded Turntrans-95.6-11.2-179.574.20000114.4G33 I34G33-S36 WeakPolarHBondContact O-CB 3.29Å; G33-S36 PolarHBondContact O-N 3.2Å; G33-S36 PolarHBondContact O-OG 3.14Å; I34-S36 PolarHBondContact O-N 3.15Å; I34-S36 VanDerWaalsContact O-N 3.14Å
37I81.6Confident84.1Confident8 Ų852.7 Ų52.74%0.04130%0.301CS..SBendtrans-82.4129.2179.6-63.4171.3000109L4 L7 G33 I34 L39 N41 I42L4-I37 HydrophobicContact CB-CD1 4.21Å; L4-I37 HydrophobicContact CD1-CD1 4.3Å; L7-I37 HydrophobicContact CB-CD1 4.4Å; L7-I37 HydrophobicContact CD2-CD1 3.93Å; G33-I37 PolarHBondContact O-N 2.71Å; I34-I37 PolarHBondContact O-N 3.25Å; I37-L39 PolarHBondContact O-N 2.89Å; I37-N41 HydrophobicContact CG2-CB 4.36Å; I37-I42 HydrophobicContact CB-CD1 4.32Å; I37-I42 HydrophobicContact CG2-CD1 4.04Å; I37-I42 HydrophobicContact CG2-CG1 3.85Å
38P78.5Confident84Confident72 Ų7255.3 Ų55.347%0.46832%0.315SS..  trans-58.5129.7173.6-22.933.1000111.5S40 N41P38-S40 PolarHBondContact O-N 2.95Å; P38-N41 PolarHBondContact O-N 3.42Å
39L77.6Confident84.1Confident54 Ų5457.6 Ų57.628%0.28333%0.325SS..G310 helixtrans-56.7-21.1-178.6-70.3164.8000113.7I37 N41 I42 W75 L87I37-L39 PolarHBondContact O-N 2.89Å; L39-N41 PolarHBondContact O-N 3.16Å; L39-I42 HydrophobicContact CD2-CD1 4.45Å; L39-I42 PolarHBondContact O-N 2.87Å; L39-W75 HydrophobicContact CD2-CH2 4.39Å; L39-L87 HydrophobicContact CD2-CD1 4.24Å; L39-L87 HydrophobicContact CD2-CD2 4.06Å
40S74.8Confident84.2Confident101 Ų10154.7 Ų54.771%0.70631%0.307SS*.G310 helixtrans-64.5-23.617457.20000114.1P38P38-S40 PolarHBondContact O-N 2.95Å
41N79.3Confident84.2Confident76 Ų7654.6 Ų54.641%0.40631%0.307SS..G310 helixtrans-99.55.8-175.2-64.810.8000112.3E2 I37 P38 L39E2-N41 PolarHBondContact O-ND2 2.83Å; I37-N41 HydrophobicContact CG2-CB 4.36Å; P38-N41 PolarHBondContact O-N 3.42Å; L39-N41 PolarHBondContact O-N 3.16Å
42I82.6Confident84.3Confident9 Ų956.9 Ų56.95%0.04632%0.319CS..  trans-110.5132.6179.4-55.2175.6000108.3L4 I37 L39 I47 W81L4-I42 HydrophobicContact CD2-CG2 4.07Å; I37-I42 HydrophobicContact CB-CD1 4.32Å; I37-I42 HydrophobicContact CG2-CD1 4.04Å; I37-I42 HydrophobicContact CG2-CG1 3.85Å; L39-I42 HydrophobicContact CD2-CD1 4.45Å; L39-I42 PolarHBondContact O-N 2.87Å; I42-I47 HydrophobicContact CG2-CD1 3.57Å; I42-I47 HydrophobicContact CG2-CG1 3.8Å; I42-W81 HydrophobicContact CG2-CH2 4.44Å; I42-W81 VanDerWaalsContact O-CZ3 3.28Å; I42-W81 WeakPolarHBondContact O-CZ3 3.42Å
43T84.5Confident84.5Confident75 Ų7555.4 Ų55.446%0.4631%0.306SS..  trans-99.5156.6177.666.10000111.3K45 E46 I47T43-K45 VanDerWaalsContact C-N 3.27Å; T43-K45 PolarHBondContact O-N 3.07Å; T43-E46 WeakPolarHBondContact CB-OE2 3.19Å; T43-E46 PolarHBondContact N-OE2 2.73Å; T43-E46 PolarHBondContact O-N 3.39Å; T43-E46 VanDerWaalsContact O-N 3.15Å; T43-E46 VanDerWaalsContact OG1-CD 3.26Å; T43-E46 VanDerWaalsContact OG1-CG 3.24Å; T43-E46 WeakPolarHBondContact OG1-CG 3.47Å; T43-E46 PolarHBondContact OG1-N 3.36Å; T43-E46 PolarHBondContact OG1-OE2 2.82Å; T43-I47 PolarHBondContact O-N 3.4Å
44S82.6Confident84.8Confident71 Ų7155 Ų5550%0.49730%0.301SS..Hα-helixtrans-59.1-37.6178.865.60000112.9E46 I47 D48S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 PolarHBondContact O-N 3.11Å; S44-I47 WeakPolarHBondContact O-CB 3.37Å; S44-I47 PolarHBondContact O-N 3.41Å; S44-D48 PolarHBondContact O-N 3.02Å
45K85.9Confident85Confident150 Ų15054.7 Ų54.765%0.65230%0.3SS*.Hα-helixtrans-65.8-34.5177.6-69.4-173.6176.9-176.30112.9T43 I47 D48 H49T43-K45 VanDerWaalsContact C-N 3.27Å; T43-K45 PolarHBondContact O-N 3.07Å; K45-I47 VanDerWaalsContact C-N 3.33Å; K45-D48 PolarHBondContact O-N 2.9Å; K45-H49 PolarHBondContact O-CD2 3.5Å; K45-H49 PolarHBondContact O-N 3.22Å; K45-H49 VanDerWaalsContact O-N 3.07Å
46E87.4Confident85.2Confident47 Ų4754.9 Ų54.922%0.2231%0.306CS..Hα-helixtrans-70.2-34.6175.3-68.9164.513600111.2L4 T43 S44 L50L4-E46 HydrophobicContact CD2-CB 3.73Å; T43-E46 WeakPolarHBondContact CB-OE2 3.19Å; T43-E46 PolarHBondContact N-OE2 2.73Å; T43-E46 PolarHBondContact O-N 3.39Å; T43-E46 VanDerWaalsContact O-N 3.15Å; T43-E46 VanDerWaalsContact OG1-CD 3.26Å; T43-E46 VanDerWaalsContact OG1-CG 3.24Å; T43-E46 WeakPolarHBondContact OG1-CG 3.47Å; T43-E46 PolarHBondContact OG1-N 3.36Å; T43-E46 PolarHBondContact OG1-OE2 2.82Å; S44-E46 VanDerWaalsContact C-N 3.33Å; S44-E46 PolarHBondContact O-N 3.11Å; E46-L50 WeakPolarHBondContact O-CB 3.37Å; E46-L50 PolarHBondContact O-N 3.47Å
47I88.3Confident85.5Confident1 Ų153.4 Ų53.41%0.00529%0.286CS..Hα-helixtrans-64.6-43.9170.9-62.1-59.7000110.8I42 T43 S44 K45 H49 L50 T51 L76 W81 L87 I88I42-I47 HydrophobicContact CG2-CD1 3.57Å; I42-I47 HydrophobicContact CG2-CG1 3.8Å; T43-I47 PolarHBondContact O-N 3.4Å; S44-I47 WeakPolarHBondContact O-CB 3.37Å; S44-I47 PolarHBondContact O-N 3.41Å; K45-I47 VanDerWaalsContact C-N 3.33Å; I47-H49 PolarHBondContact O-N 3.08Å; I47-L50 HydrophobicContact CD1-CD2 4.43Å; I47-L50 PolarHBondContact O-N 3.33Å; I47-T51 WeakPolarHBondContact O-CB 3.24Å; I47-T51 PolarHBondContact O-N 3.28Å; I47-T51 PolarHBondContact O-OG1 2.91Å; I47-L76 HydrophobicContact CD1-CD2 4.19Å; I47-W81 HydrophobicContact CG1-CH2 4.06Å; I47-W81 HydrophobicContact CG1-CZ2 4.15Å; I47-L87 HydrophobicContact CD1-CD1 4.17Å; I47-L87 HydrophobicContact CD1-CD2 4.27Å; I47-L87 HydrophobicContact CD1-CG 4.31Å; I47-L87 HydrophobicContact CG1-CD1 4.03Å; I47-L87 HydrophobicContact CG1-CG 4.42Å; I47-I88 HydrophobicContact CG2-CD1 4.1Å
48D87.9Confident85.7Confident56 Ų5653.1 Ų53.130%0.29928%0.284SS..Hα-helixtrans-53.8-53.7175.1-64.6-36.3000110.7S44 K45 L50 T51 D52 Q92S44-D48 PolarHBondContact O-N 3.02Å; K45-D48 PolarHBondContact O-N 2.9Å; D48-L50 VanDerWaalsContact C-N 3.32Å; D48-L50 PolarHBondContact O-N 2.71Å; D48-T51 PolarHBondContact O-N 2.98Å; D48-D52 VanDerWaalsContact O-CG 3.28Å; D48-D52 PolarHBondContact O-N 3.3Å; D48-Q92 PolarHBondContact OD1-NE2 3.17Å
49H89.1Confident85.9Confident130 Ų13052.4 Ų52.460%0.60229%0.285SS*.Hα-helixtrans-63.4-35.3178.8-69.7-41.4000113.6K45 I47 F53K45-H49 PolarHBondContact O-CD2 3.5Å; K45-H49 PolarHBondContact O-N 3.22Å; K45-H49 VanDerWaalsContact O-N 3.07Å; I47-H49 PolarHBondContact O-N 3.08Å; H49-F53 VanDerWaalsContact O-CB 3.23Å; H49-F53 WeakPolarHBondContact O-CB 3.34Å; H49-F53 PolarHBondContact O-N 3.23Å
50L89.9Confident85.9Confident5 Ų552.6 Ų52.63%0.02629%0.286CS..Hα-helixtrans-66.9-43.4175.817867.4000110.9L30 I34 E46 I47 D48 F53 L54 L76L30-L50 HydrophobicContact CD2-CD1 4.21Å; I34-L50 HydrophobicContact CD1-CD1 3.64Å; I34-L50 HydrophobicContact CD1-CD2 3.63Å; I34-L50 HydrophobicContact CD1-CG 4.28Å; E46-L50 WeakPolarHBondContact O-CB 3.37Å; E46-L50 PolarHBondContact O-N 3.47Å; I47-L50 HydrophobicContact CD1-CD2 4.43Å; I47-L50 PolarHBondContact O-N 3.33Å; D48-L50 VanDerWaalsContact C-N 3.32Å; D48-L50 PolarHBondContact O-N 2.71Å; L50-F53 PolarHBondContact O-N 3.15Å; L50-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 HydrophobicContact CG-CG 4.33Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 VanDerWaalsContact O-CG 3.24Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.38Å; L50-L76 HydrophobicContact CD2-CD1 4.15Å; L50-L76 HydrophobicContact CD2-CD2 4.28Å
51T89.7Confident85.7Confident0 Ų051.6 Ų51.60%028%0.283CS..Hα-helixtrans-64.3-42.9177.9-68.80000111.5I47 D48 S55 F73 I96I47-T51 WeakPolarHBondContact O-CB 3.24Å; I47-T51 PolarHBondContact O-N 3.28Å; I47-T51 PolarHBondContact O-OG1 2.91Å; D48-T51 PolarHBondContact O-N 2.98Å; T51-S55 VanDerWaalsContact O-CB 3.29Å; T51-S55 WeakPolarHBondContact O-CB 3.45Å; T51-S55 PolarHBondContact O-N 3.18Å; T51-S55 PolarHBondContact O-OG 3.3Å; T51-F73 HydrophobicContact CG2-CE1 4.33Å; T51-I96 HydrophobicContact CG2-CD1 3.69Å; T51-I96 HydrophobicContact CG2-CG1 3.39Å
52D89.5Confident85.8Confident55 Ų5549.8 Ų49.829%0.29427%0.274SS..Hα-helixtrans-58.3-52.6173.1-68.1-16.9000110.5D48 L54 S55 D56 Q95D48-D52 VanDerWaalsContact O-CG 3.28Å; D48-D52 PolarHBondContact O-N 3.3Å; D52-L54 PolarHBondContact O-N 3.25Å; D52-S55 PolarHBondContact O-N 3.13Å; D52-D56 PolarHBondContact O-N 2.79Å; D52-Q95 PolarHBondContact OD1-NE2 3.32Å
53F90.6Very high85.8Confident47 Ų4752.2 Ų52.221%0.20629%0.29CS..Hα-helixtrans-59.7-46.8-178.7173.5-97.2000112.6L15 L30 H49 L50 D56 R57L15-F53 HydrophobicContact CB-CZ 4.38Å; L15-F53 HydrophobicContact CD1-CZ 4.43Å; L15-F53 HydrophobicContact CD2-CE1 4.33Å; L15-F53 HydrophobicContact CD2-CZ 3.93Å; L15-F53 HydrophobicContact CG-CZ 4.47Å; L30-F53 HydrophobicContact CD2-CD1 4.26Å; L30-F53 HydrophobicContact CD2-CE1 3.85Å; H49-F53 VanDerWaalsContact O-CB 3.23Å; H49-F53 WeakPolarHBondContact O-CB 3.34Å; H49-F53 PolarHBondContact O-N 3.23Å; L50-F53 PolarHBondContact O-N 3.15Å; F53-D56 PolarHBondContact O-N 3.07Å; F53-R57 HydrophobicContact CD1-CG 4.4Å; F53-R57 HydrophobicContact CD2-CG 4.42Å; F53-R57 HydrophobicContact CE1-CG 3.98Å; F53-R57 HydrophobicContact CE2-CG 4.03Å; F53-R57 VanDerWaalsContact CE2-CZ 3.43Å; F53-R57 HydrophobicContact CZ-CG 3.77Å; F53-R57 WeakPolarHBondContact O-CB 3.36Å; F53-R57 WeakPolarHBondContact O-CG 3.44Å; F53-R57 PolarHBondContact O-N 3.39Å; F53-R57 VanDerWaalsContact O-N 3.08Å
54L90.3Very high85.8Confident2 Ų252.3 Ų52.31%0.0129%0.288CS..Hα-helixtrans-67-37.9-179.7-71.8179000111.6I31 L50 D52 R57 L58 I69 F73 L76I31-L54 HydrophobicContact CD1-CD2 4.4Å; L50-L54 HydrophobicContact CD1-CD1 3.99Å; L50-L54 HydrophobicContact CD1-CG 4.05Å; L50-L54 HydrophobicContact CG-CD1 3.94Å; L50-L54 HydrophobicContact CG-CG 4.33Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 VanDerWaalsContact O-CG 3.24Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.38Å; D52-L54 PolarHBondContact O-N 3.25Å; L54-R57 PolarHBondContact O-N 3.35Å; L54-L58 PolarHBondContact O-N 3.36Å; L54-I69 HydrophobicContact CB-CG2 4.07Å; L54-I69 HydrophobicContact CD2-CG1 4.24Å; L54-I69 HydrophobicContact CD2-CG2 4.42Å; L54-F73 HydrophobicContact CB-CE1 3.89Å; L54-F73 HydrophobicContact CB-CE2 4.2Å; L54-F73 HydrophobicContact CB-CZ 3.5Å; L54-F73 HydrophobicContact CD1-CE1 4.21Å; L54-L76 HydrophobicContact CD1-CD1 4.33Å
55S90Very high86Confident2 Ų249 Ų491%0.01426%0.264CS..Hα-helixtrans-62.4-49.7175.9-59.70000110.7T51 D52 R57 L58 H104T51-S55 VanDerWaalsContact O-CB 3.29Å; T51-S55 WeakPolarHBondContact O-CB 3.45Å; T51-S55 PolarHBondContact O-N 3.18Å; T51-S55 PolarHBondContact O-OG 3.3Å; D52-S55 PolarHBondContact O-N 3.13Å; S55-R57 PolarHBondContact O-N 2.86Å; S55-L58 WeakPolarHBondContact O-CB 3.28Å; S55-L58 PolarHBondContact O-N 3.49Å; S55-L58 VanDerWaalsContact O-N 3.1Å; S55-H104 PolarHBondContact O-CD2 3.34Å
56D87.3Confident86.2Confident99 Ų9942.1 Ų42.153%0.52924%0.235SC..Hα-helixtrans-58.5-34.5176.1-77.9-8.7000112.6D52 F53 L58 A59D52-D56 PolarHBondContact O-N 2.79Å; F53-D56 PolarHBondContact O-N 3.07Å; D56-L58 VanDerWaalsContact C-N 3.29Å; D56-L58 PolarHBondContact O-N 2.84Å; D56-A59 WeakPolarHBondContact O-CB 3.3Å; D56-A59 PolarHBondContact O-N 3.19Å
57R87.4Confident86.3Confident61 Ų6140.7 Ų40.723%0.2323%0.229CC..Hα-helixtrans-76-13.4-178.9-70.8-68.3179.5-76.74.3113.7F53 L54 S55 A59 L60 I69F53-R57 HydrophobicContact CD1-CG 4.4Å; F53-R57 HydrophobicContact CD2-CG 4.42Å; F53-R57 HydrophobicContact CE1-CG 3.98Å; F53-R57 HydrophobicContact CE2-CG 4.03Å; F53-R57 VanDerWaalsContact CE2-CZ 3.43Å; F53-R57 HydrophobicContact CZ-CG 3.77Å; F53-R57 WeakPolarHBondContact O-CB 3.36Å; F53-R57 WeakPolarHBondContact O-CG 3.44Å; F53-R57 PolarHBondContact O-N 3.39Å; F53-R57 VanDerWaalsContact O-N 3.08Å; L54-R57 PolarHBondContact O-N 3.35Å; S55-R57 PolarHBondContact O-N 2.86Å; R57-A59 PolarHBondContact O-N 2.89Å; R57-L60 HydrophobicContact CB-CD1 4.43Å; R57-L60 WeakPolarHBondContact O-CB 3.45Å; R57-L60 WeakPolarHBondContact O-CG 3.42Å; R57-L60 PolarHBondContact O-N 3.34Å; R57-I69 HydrophobicContact CB-CD1 3.71Å
58L86.7Confident86.4Confident2 Ų242.1 Ų42.11%0.0124%0.236CC..G310 helixtrans-63.4-25.5169.9-69.9174.4000112.2L54 S55 D56 L60 A61 T66 I69 F73 H104 L105L54-L58 PolarHBondContact O-N 3.36Å; S55-L58 WeakPolarHBondContact O-CB 3.28Å; S55-L58 PolarHBondContact O-N 3.49Å; S55-L58 VanDerWaalsContact O-N 3.1Å; D56-L58 VanDerWaalsContact C-N 3.29Å; D56-L58 PolarHBondContact O-N 2.84Å; L58-L60 PolarHBondContact O-N 3.19Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L58-A61 PolarHBondContact O-N 3.1Å; L58-T66 HydrophobicContact CD2-CG2 4.2Å; L58-I69 HydrophobicContact CD2-CB 3.86Å; L58-I69 HydrophobicContact CD2-CD1 4.05Å; L58-I69 HydrophobicContact CD2-CG2 3.56Å; L58-I69 HydrophobicContact CG-CD1 4.46Å; L58-I69 HydrophobicContact CG-CG2 3.94Å; L58-F73 HydrophobicContact CD1-CE2 4.08Å; L58-H104 HydrophobicContact CB-CB 4.11Å; L58-L105 HydrophobicContact CB-CD2 4.13Å; L58-L105 HydrophobicContact CB-CG 4.44Å; L58-L105 HydrophobicContact CD1-CD1 4.18Å; L58-L105 HydrophobicContact CD1-CG 4.43Å; L58-L105 HydrophobicContact CD2-CD1 4.21Å; L58-L105 HydrophobicContact CD2-CD2 4.27Å
59A81.9Confident86.6Confident58 Ų5839.4 Ų39.448%0.47922%0.222SC..G310 helixtrans-64.5-13.4175.500000114.6D56 R57 A61 H104D56-A59 WeakPolarHBondContact O-CB 3.3Å; D56-A59 PolarHBondContact O-N 3.19Å; R57-A59 PolarHBondContact O-N 2.89Å; A59-A61 PolarHBondContact O-N 3.44Å; A59-H104 HydrophobicContact CB-CB 4.42Å
60L78.9Confident86.7Confident58 Ų5833.2 Ų33.230%0.30419%0.193SC..G310 helixtrans-64.7-17.3176.9-68.2173.3000113.1I27 R57 L58 D62 I65I27-L60 HydrophobicContact CD1-CD1 4.46Å; R57-L60 HydrophobicContact CB-CD1 4.43Å; R57-L60 WeakPolarHBondContact O-CB 3.45Å; R57-L60 WeakPolarHBondContact O-CG 3.42Å; R57-L60 PolarHBondContact O-N 3.34Å; L58-L60 PolarHBondContact O-N 3.19Å; L58-L60 VanDerWaalsContact O-N 3.15Å; L60-D62 PolarHBondContact O-N 3.15Å; L60-I65 HydrophobicContact CD1-CD1 4.17Å; L60-I65 HydrophobicContact CD1-CG2 4.35Å
61A69.8Low86.8Confident80 Ų8035.6 Ų35.666%0.66121%0.206SC*.  trans5513.9176.700000115.9L58 A59L58-A61 PolarHBondContact O-N 3.1Å; A59-A61 PolarHBondContact O-N 3.44Å
62D82.5Confident86.9Confident38 Ų3835.8 Ų35.820%0.20321%0.208CC..  trans-78.8127.3172.1179.6-87.8000110.3I20 L60 N64 I65 T66I20-D62 HydrophobicContact CG2-CB 4.27Å; L60-D62 PolarHBondContact O-N 3.15Å; D62-N64 VanDerWaalsContact C-N 3.31Å; D62-N64 PolarHBondContact O-N 3.23Å; D62-N64 WeakPolarHBondContact OD1-CA 3.14Å; D62-N64 WeakPolarHBondContact OD1-CB 3.49Å; D62-N64 PolarHBondContact OD1-N 3.35Å; D62-I65 HydrophobicContact CB-CB 4.08Å; D62-I65 HydrophobicContact CB-CD1 3.98Å; D62-I65 HydrophobicContact CB-CG1 4.03Å; D62-I65 PolarHBondContact O-N 3.05Å; D62-I65 PolarHBondContact OD1-N 3.33Å; D62-T66 VanDerWaalsContact O-CB 3.32Å; D62-T66 WeakPolarHBondContact O-CB 3.39Å; D62-T66 PolarHBondContact O-N 3.09Å; D62-T66 PolarHBondContact O-OG1 3.09Å
63P82.9Confident87.1Confident59 Ų5933.2 Ų33.238%0.38319%0.194SC..Hα-helixtrans-64.3-28.8-176-22.131.3000114.8N67 M111P63-N67 WeakPolarHBondContact O-CB 3.33Å; P63-N67 PolarHBondContact O-N 3.18Å; P63-N67 PolarHBondContact O-ND2 3.42Å; P63-M111 HydrophobicContact CB-CE 3.52Å; P63-M111 HydrophobicContact CB-SD 4.38Å
64N84.5Confident87.2Confident78 Ų7831.6 Ų31.642%0.41719%0.188SC..Hα-helixtrans-77.9-45.9178.7-63.5-48.2000110.6K24 D62 T66 N67 L68K24-N64 HydrophobicContact CD-CB 4.21Å; D62-N64 VanDerWaalsContact C-N 3.31Å; D62-N64 PolarHBondContact O-N 3.23Å; D62-N64 WeakPolarHBondContact OD1-CA 3.14Å; D62-N64 WeakPolarHBondContact OD1-CB 3.49Å; D62-N64 PolarHBondContact OD1-N 3.35Å; N64-T66 VanDerWaalsContact C-N 3.31Å; N64-T66 PolarHBondContact O-N 3.32Å; N64-N67 PolarHBondContact O-N 3.26Å; N64-L68 WeakPolarHBondContact O-CG 3.47Å; N64-L68 PolarHBondContact O-N 3.46Å
65I86.2Confident87.2Confident1 Ų134.3 Ų34.31%0.00520%0.198CC..Hα-helixtrans-59.7-45.3175.6-62.6179.6000109.9I20 K24 I27 L60 D62 N67 L68 I69I20-I65 HydrophobicContact CG2-CD1 3.85Å; K24-I65 HydrophobicContact CB-CD1 3.98Å; K24-I65 HydrophobicContact CB-CG1 3.8Å; K24-I65 HydrophobicContact CG-CG1 3.97Å; I27-I65 HydrophobicContact CD1-CG2 3.7Å; L60-I65 HydrophobicContact CD1-CD1 4.17Å; L60-I65 HydrophobicContact CD1-CG2 4.35Å; D62-I65 HydrophobicContact CB-CB 4.08Å; D62-I65 HydrophobicContact CB-CD1 3.98Å; D62-I65 HydrophobicContact CB-CG1 4.03Å; D62-I65 PolarHBondContact O-N 3.05Å; D62-I65 PolarHBondContact OD1-N 3.33Å; I65-N67 VanDerWaalsContact C-N 3.34Å; I65-N67 PolarHBondContact O-N 2.82Å; I65-L68 PolarHBondContact O-N 3.34Å; I65-I69 HydrophobicContact CG2-CD1 3.63Å; I65-I69 HydrophobicContact CG2-CG1 4.21Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.14Å; I65-I69 PolarHBondContact O-N 3.06Å
66T89Confident87.3Confident5 Ų534.3 Ų34.33%0.03120%0.198CC..Hα-helixtrans-56.7-47.2176.6-56.50000111.3L58 D62 N64 L68 I69 L70 L105 L110L58-T66 HydrophobicContact CD2-CG2 4.2Å; D62-T66 VanDerWaalsContact O-CB 3.32Å; D62-T66 WeakPolarHBondContact O-CB 3.39Å; D62-T66 PolarHBondContact O-N 3.09Å; D62-T66 PolarHBondContact O-OG1 3.09Å; N64-T66 VanDerWaalsContact C-N 3.31Å; N64-T66 PolarHBondContact O-N 3.32Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-L68 PolarHBondContact O-N 2.83Å; T66-I69 PolarHBondContact O-N 3.44Å; T66-L70 HydrophobicContact CG2-CD1 3.96Å; T66-L70 HydrophobicContact CG2-CG 4.44Å; T66-L70 WeakPolarHBondContact O-CB 3.41Å; T66-L70 VanDerWaalsContact O-CG 3.25Å; T66-L70 WeakPolarHBondContact O-CG 3.45Å; T66-L70 PolarHBondContact O-N 3.18Å; T66-L105 HydrophobicContact CG2-CD1 4.22Å; T66-L105 HydrophobicContact CG2-CD2 3.88Å; T66-L110 HydrophobicContact CG2-CD2 4.15Å
67N90.3Very high87.4Confident18 Ų1830 Ų3010%0.09618%0.175CC..Hα-helixtrans-61.9-39.6178.2-90.6-57.7000113.1P63 N64 I65 D71 S113 G114 K117P63-N67 WeakPolarHBondContact O-CB 3.33Å; P63-N67 PolarHBondContact O-N 3.18Å; P63-N67 PolarHBondContact O-ND2 3.42Å; N64-N67 PolarHBondContact O-N 3.26Å; I65-N67 VanDerWaalsContact C-N 3.34Å; I65-N67 PolarHBondContact O-N 2.82Å; N67-D71 PolarHBondContact O-N 3.02Å; N67-D71 VanDerWaalsContact O-N 3.11Å; N67-S113 PolarHBondContact ND2-OG 3.22Å; N67-S113 PolarHBondContact OD1-OG 3.28Å; N67-G114 WeakPolarHBondContact OD1-CA 3.36Å; N67-G114 PolarHBondContact OD1-N 3.41Å; N67-K117 PolarHBondContact O-NZ 3.43Å
68L89.9Confident87.4Confident30 Ų3032.9 Ų32.916%0.15719%0.189CC..Hα-helixtrans-65.8-48.5176.8-72.9168.4000110.7K24 E28 I31 N64 I65 T66 L70 D71 G72K24-L68 HydrophobicContact CG-CD1 4.37Å; E28-L68 HydrophobicContact CB-CD1 3.76Å; E28-L68 HydrophobicContact CB-CD2 4.4Å; E28-L68 HydrophobicContact CG-CD1 4.15Å; E28-L68 HydrophobicContact CG-CD2 4.01Å; I31-L68 HydrophobicContact CD1-CB 4.16Å; I31-L68 WeakPolarHBondContact CD1-O 3.34Å; N64-L68 WeakPolarHBondContact O-CG 3.47Å; N64-L68 PolarHBondContact O-N 3.46Å; I65-L68 PolarHBondContact O-N 3.34Å; T66-L68 VanDerWaalsContact C-N 3.34Å; T66-L68 PolarHBondContact O-N 2.83Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 2.93Å; L68-D71 WeakPolarHBondContact O-CB 3.26Å; L68-D71 PolarHBondContact O-N 3.08Å; L68-D71 VanDerWaalsContact O-N 3.12Å; L68-G72 PolarHBondContact O-N 3.49Å
69I91.6Very high87.4Confident0 Ų033.8 Ų33.80%020%0.195CC..Hα-helixtrans-58.9-45.2178.7-66.6170.8000110.9I27 I31 L54 R57 L58 I65 T66 D71 G72 F73I27-I69 HydrophobicContact CG2-CG1 4.09Å; I31-I69 HydrophobicContact CD1-CG1 4.5Å; L54-I69 HydrophobicContact CB-CG2 4.07Å; L54-I69 HydrophobicContact CD2-CG1 4.24Å; L54-I69 HydrophobicContact CD2-CG2 4.42Å; R57-I69 HydrophobicContact CB-CD1 3.71Å; L58-I69 HydrophobicContact CD2-CB 3.86Å; L58-I69 HydrophobicContact CD2-CD1 4.05Å; L58-I69 HydrophobicContact CD2-CG2 3.56Å; L58-I69 HydrophobicContact CG-CD1 4.46Å; L58-I69 HydrophobicContact CG-CG2 3.94Å; I65-I69 HydrophobicContact CG2-CD1 3.63Å; I65-I69 HydrophobicContact CG2-CG1 4.21Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.14Å; I65-I69 PolarHBondContact O-N 3.06Å; T66-I69 PolarHBondContact O-N 3.44Å; I69-D71 VanDerWaalsContact C-N 3.33Å; I69-D71 PolarHBondContact O-N 2.98Å; I69-G72 WeakPolarHBondContact O-CA 3.31Å; I69-G72 PolarHBondContact O-N 2.89Å; I69-F73 HydrophobicContact CG2-CD2 3.81Å; I69-F73 HydrophobicContact CG2-CE2 3.45Å; I69-F73 VanDerWaalsContact CG2-CE2 3.45Å; I69-F73 HydrophobicContact CG2-CZ 4.24Å; I69-F73 PolarHBondContact O-N 3.18Å
70L92.9Very high87.6Confident0 Ų034.6 Ų34.60%020%0.195CC..Hα-helixtrans-62.7-37.2176.8-67.9170.8000112.3T66 L68 G72 F73 I74 L105 K117 V118 L121T66-L70 HydrophobicContact CG2-CD1 3.96Å; T66-L70 HydrophobicContact CG2-CG 4.44Å; T66-L70 WeakPolarHBondContact O-CB 3.41Å; T66-L70 VanDerWaalsContact O-CG 3.25Å; T66-L70 WeakPolarHBondContact O-CG 3.45Å; T66-L70 PolarHBondContact O-N 3.18Å; L68-L70 VanDerWaalsContact C-N 3.33Å; L68-L70 PolarHBondContact O-N 2.93Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.05Å; L70-F73 PolarHBondContact O-N 3.14Å; L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 2.79Å; L70-L105 HydrophobicContact CD2-CD1 4.5Å; L70-K117 HydrophobicContact CB-CB 3.9Å; L70-K117 HydrophobicContact CB-CD 4.09Å; L70-K117 HydrophobicContact CD1-CB 4.03Å; L70-V118 HydrophobicContact CD1-CG2 3.69Å; L70-V118 HydrophobicContact CD2-CG2 3.94Å; L70-V118 HydrophobicContact CG-CG2 4.5Å; L70-L121 HydrophobicContact CD2-CD2 4.34Å
71D91.3Very high87.7Confident54 Ų5434.4 Ų34.429%0.28919%0.19SC..Hα-helixtrans-64-36.1171.8-75.1-26.8000112.2N67 L68 I69 W75 K117N67-D71 PolarHBondContact O-N 3.02Å; N67-D71 VanDerWaalsContact O-N 3.11Å; L68-D71 WeakPolarHBondContact O-CB 3.26Å; L68-D71 PolarHBondContact O-N 3.08Å; L68-D71 VanDerWaalsContact O-N 3.12Å; I69-D71 VanDerWaalsContact C-N 3.33Å; I69-D71 PolarHBondContact O-N 2.98Å; D71-W75 WeakPolarHBondContact O-CB 3.47Å; D71-W75 PolarHBondContact O-N 2.91Å; D71-K117 WeakPolarHBondContact OD1-CD 3.31Å; D71-K117 WeakPolarHBondContact OD1-CE 3.36Å; D71-K117 IonicContact OD1-NZ 3.02Å; D71-K117 PolarHBondContact OD1-NZ 2.98Å; D71-K117 IonicContact OD2-NZ 3.68Å; D71-K117 PolarHBondContact OD2-NZ 3.38Å
72G90.8Very high88Confident5 Ų537 Ų375%0.05220%0.203CC..Hα-helixtrans-59.2-52.4171.900000111.3L68 I69 L70 I74 W75 L76L68-G72 PolarHBondContact O-N 3.49Å; I69-G72 WeakPolarHBondContact O-CA 3.31Å; I69-G72 PolarHBondContact O-N 2.89Å; L70-G72 VanDerWaalsContact C-N 3.28Å; L70-G72 PolarHBondContact O-N 3.05Å; G72-I74 PolarHBondContact O-N 3.35Å; G72-W75 PolarHBondContact O-N 2.85Å; G72-L76 VanDerWaalsContact O-CG 3.31Å; G72-L76 WeakPolarHBondContact O-CG 3.32Å; G72-L76 PolarHBondContact O-N 2.84Å
73F94Very high87.6Confident0 Ų040.6 Ų40.60%022%0.222CC..Hα-helixtrans-63.2-41178.7-72.8-48.3000113.5T51 L54 L58 I69 L70 W75 L76 T77 I96 L121T51-F73 HydrophobicContact CG2-CE1 4.33Å; L54-F73 HydrophobicContact CB-CE1 3.89Å; L54-F73 HydrophobicContact CB-CE2 4.2Å; L54-F73 HydrophobicContact CB-CZ 3.5Å; L54-F73 HydrophobicContact CD1-CE1 4.21Å; L58-F73 HydrophobicContact CD1-CE2 4.08Å; I69-F73 HydrophobicContact CG2-CD2 3.81Å; I69-F73 HydrophobicContact CG2-CE2 3.45Å; I69-F73 VanDerWaalsContact CG2-CE2 3.45Å; I69-F73 HydrophobicContact CG2-CZ 4.24Å; I69-F73 PolarHBondContact O-N 3.18Å; L70-F73 PolarHBondContact O-N 3.14Å; F73-W75 VanDerWaalsContact C-N 3.31Å; F73-W75 PolarHBondContact O-N 3.31Å; F73-L76 HydrophobicContact CD1-CD1 4.3Å; F73-L76 PolarHBondContact O-N 3.47Å; F73-T77 WeakPolarHBondContact O-CB 3.17Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 PolarHBondContact O-OG1 3.38Å; F73-I96 HydrophobicContact CD1-CD1 3.76Å; F73-I96 HydrophobicContact CD1-CG1 4.17Å; F73-I96 HydrophobicContact CD1-CG2 4.27Å; F73-I96 HydrophobicContact CD2-CG2 4.2Å; F73-I96 HydrophobicContact CE1-CD1 3.82Å; F73-I96 HydrophobicContact CE1-CG1 3.79Å; F73-I96 HydrophobicContact CE1-CG2 4.27Å; F73-I96 HydrophobicContact CE2-CG2 4.18Å; F73-I96 HydrophobicContact CG-CG2 4.24Å; F73-I96 HydrophobicContact CZ-CG1 4.22Å; F73-I96 HydrophobicContact CZ-CG2 4.22Å; F73-L121 HydrophobicContact CB-CD1 4.09Å; F73-L121 HydrophobicContact CB-CD2 3.64Å; F73-L121 HydrophobicContact CD2-CD2 4.45Å; F73-L121 HydrophobicContact CG-CD2 4.36Å
74I92.9Very high87.4Confident14 Ų1440.4 Ų40.47%0.07223%0.231CC..Hα-helixtrans-61.1-43.8175.3-69.9166.8000110.4L70 G72 T77 K78 K117 Q120 L121 Y124L70-I74 VanDerWaalsContact O-CG1 3.28Å; L70-I74 WeakPolarHBondContact O-CG1 3.47Å; L70-I74 PolarHBondContact O-N 2.79Å; G72-I74 PolarHBondContact O-N 3.35Å; I74-T77 PolarHBondContact O-N 2.76Å; I74-K78 HydrophobicContact CG2-CD 4.24Å; I74-K78 WeakPolarHBondContact O-CG 3.48Å; I74-K78 PolarHBondContact O-N 3.29Å; I74-K117 HydrophobicContact CD1-CB 3.87Å; I74-K117 HydrophobicContact CD1-CG 4.03Å; I74-Q120 HydrophobicContact CD1-CB 4.32Å; I74-L121 HydrophobicContact CG1-CB 4.01Å; I74-L121 HydrophobicContact CG1-CD1 4.22Å; I74-Y124 HydrophobicContact CG2-CD2 4.45Å; I74-Y124 HydrophobicContact CG2-CE2 4.05Å
75W90.9Very high87.1Confident59 Ų5940.2 Ų40.222%0.22324%0.235CC..Hα-helixtrans-63.8-48.2177.3-179.385.1000111.7I34 K35 L39 D71 G72 F73 T77 K78 C79 L87I34-W75 HydrophobicContact CG2-CE3 4.37Å; I34-W75 HydrophobicContact CG2-CH2 4.07Å; I34-W75 HydrophobicContact CG2-CZ3 3.59Å; K35-W75 HydrophobicContact CB-CZ2 4.32Å; K35-W75 HydrophobicContact CD-CG 4.24Å; K35-W75 HydrophobicContact CG-CD2 3.75Å; K35-W75 HydrophobicContact CG-CE3 4.36Å; K35-W75 HydrophobicContact CG-CG 3.9Å; K35-W75 HydrophobicContact CG-CZ2 4.19Å; L39-W75 HydrophobicContact CD2-CH2 4.39Å; D71-W75 WeakPolarHBondContact O-CB 3.47Å; D71-W75 PolarHBondContact O-N 2.91Å; G72-W75 PolarHBondContact O-N 2.85Å; F73-W75 VanDerWaalsContact C-N 3.31Å; F73-W75 PolarHBondContact O-N 3.31Å; W75-T77 VanDerWaalsContact C-N 3.26Å; W75-T77 PolarHBondContact O-N 2.79Å; W75-K78 PolarHBondContact O-N 3.45Å; W75-K78 VanDerWaalsContact O-N 3.14Å; W75-C79 VanDerWaalsContact CZ2-SG 3.5Å; W75-C79 PolarHBondContact O-N 3.47Å; W75-C79 VanDerWaalsContact O-N 3.17Å; W75-C79 PolarHBondContact O-SG 2.84Å; W75-C79 VanDerWaalsContact O-SG 3.41Å; W75-L87 HydrophobicContact CZ3-CD2 4.39Å
76L90.9Very high86.9Confident2 Ų241 Ų411%0.0124%0.241CC..Hα-helixtrans-56.9-41.3178-71.5170.6000111.6I47 L50 L54 G72 F73 K78 C79 L87 I88I47-L76 HydrophobicContact CD1-CD2 4.19Å; L50-L76 HydrophobicContact CD2-CD1 4.15Å; L50-L76 HydrophobicContact CD2-CD2 4.28Å; L54-L76 HydrophobicContact CD1-CD1 4.33Å; G72-L76 VanDerWaalsContact O-CG 3.31Å; G72-L76 WeakPolarHBondContact O-CG 3.32Å; G72-L76 PolarHBondContact O-N 2.84Å; F73-L76 HydrophobicContact CD1-CD1 4.3Å; F73-L76 PolarHBondContact O-N 3.47Å; L76-K78 PolarHBondContact O-N 3.25Å; L76-C79 PolarHBondContact O-N 3.22Å; L76-L87 HydrophobicContact CD2-CD2 3.59Å; L76-L87 WeakPolarHBondContact O-CB 3.46Å; L76-I88 HydrophobicContact CB-CD1 3.98Å; L76-I88 HydrophobicContact CB-CG1 3.83Å; L76-I88 HydrophobicContact CD1-CD1 4.44Å
77T90.7Very high86.8Confident9 Ų941 Ų416%0.05524%0.24CC..Hα-helixtrans-67-35.9-179.6-55.10000112.5F73 I74 W75 S86 L121 F125F73-T77 WeakPolarHBondContact O-CB 3.17Å; F73-T77 PolarHBondContact O-N 3.44Å; F73-T77 PolarHBondContact O-OG1 3.38Å; I74-T77 PolarHBondContact O-N 2.76Å; W75-T77 VanDerWaalsContact C-N 3.26Å; W75-T77 PolarHBondContact O-N 2.79Å; T77-S86 PolarHBondContact O-OG 3.43Å; T77-L121 WeakPolarHBondContact OG1-CD1 3.31Å; T77-F125 HydrophobicContact CG2-CD1 3.73Å; T77-F125 HydrophobicContact CG2-CE1 3.56Å; T77-F125 VanDerWaalsContact OG1-CE1 3.26Å; T77-F125 WeakPolarHBondContact OG1-CE1 3.47Å
78K87.7Confident86.8Confident121 Ų12140.1 Ų40.153%0.52624%0.236SC..Hα-helixtrans-74.6-24.5178.9-73.5178.5175.4-168.90113.5I74 W75 L76 Y124I74-K78 HydrophobicContact CG2-CD 4.24Å; I74-K78 WeakPolarHBondContact O-CG 3.48Å; I74-K78 PolarHBondContact O-N 3.29Å; W75-K78 PolarHBondContact O-N 3.45Å; W75-K78 VanDerWaalsContact O-N 3.14Å; L76-K78 PolarHBondContact O-N 3.25Å; K78-Y124 VanDerWaalsContact CE-CE2 3.49Å; K78-Y124 WeakPolarHBondContact CE-OH 3.2Å; K78-Y124 HydrophobicContact CG-CE1 4.41Å; K78-Y124 PolarHBondContact NZ-OH 2.93Å
79C86.7Confident86.7Confident20 Ų2041.7 Ų41.714%0.13524%0.244CC..  trans-76.4147.6-179-72.70000112.2W75 L76 L87W75-C79 VanDerWaalsContact CZ2-SG 3.5Å; W75-C79 PolarHBondContact O-N 3.47Å; W75-C79 VanDerWaalsContact O-N 3.17Å; W75-C79 PolarHBondContact O-SG 2.84Å; W75-C79 VanDerWaalsContact O-SG 3.41Å; L76-C79 PolarHBondContact O-N 3.22Å; C79-L87 HydrophobicContact CB-CB 4.05Å; C79-L87 HydrophobicContact CB-CD2 3.74Å; C79-L87 VanDerWaalsContact O-CB 3.31Å; C79-L87 WeakPolarHBondContact O-CB 3.26Å; C79-L87 PolarHBondContact O-N 3.09Å
80T84.7Confident86.7Confident76 Ų7643.6 Ų43.647%0.46626%0.257SS..BIsolated β-bridgetrans-123.914417549.80000109.8C85T80-C85 CarbonylContact C-O 3.54Å; T80-C85 VanDerWaalsContact CA-O 3.26Å; T80-C85 WeakPolarHBondContact CA-O 3.42Å; T80-C85 WeakPolarHBondContact CB-O 3.36Å
81W80.9Confident86.5Confident54 Ų5449.6 Ų49.621%0.20529%0.285CS..  trans-64164.5170-67.1111.7000110.6I42 I47 N83 G84 C85 L87I42-W81 HydrophobicContact CG2-CH2 4.44Å; I42-W81 VanDerWaalsContact O-CZ3 3.28Å; I42-W81 WeakPolarHBondContact O-CZ3 3.42Å; I47-W81 HydrophobicContact CG1-CH2 4.06Å; I47-W81 HydrophobicContact CG1-CZ2 4.15Å; W81-N83 WeakPolarHBondContact CB-OD1 3.31Å; W81-N83 PolarHBondContact O-N 3.32Å; W81-G84 PolarHBondContact O-N 2.84Å; W81-C85 PolarHBondContact N-O 3.38Å; W81-L87 HydrophobicContact CD2-CD1 3.76Å; W81-L87 VanDerWaalsContact CE2-CD1 3.41Å; W81-L87 HydrophobicContact CE3-CD1 3.92Å; W81-L87 HydrophobicContact CH2-CD1 3.47Å; W81-L87 VanDerWaalsContact CH2-CD1 3.47Å; W81-L87 HydrophobicContact CZ2-CD1 3.3Å; W81-L87 HydrophobicContact CZ3-CD1 3.78Å
82S76.2Confident86.6Confident135 Ų13547.4 Ų47.494%0.94427%0.273SS*.THydrogen-bonded Turntrans-59.9-18.6177.4550000114.5G84S82-G84 VanDerWaalsContact C-N 3.32Å
83N75.3Confident86.6Confident113 Ų11347.1 Ų47.160%0.60427%0.27SS*.THydrogen-bonded Turntrans-851.1174.165.74.3000113.8W81 C85W81-N83 WeakPolarHBondContact CB-OD1 3.31Å; W81-N83 PolarHBondContact O-N 3.32Å; N83-C85 VanDerWaalsContact C-N 3.32Å; N83-C85 PolarHBondContact O-N 3.07Å; N83-C85 VanDerWaalsContact OD1-CB 3.32Å; N83-C85 WeakPolarHBondContact OD1-CB 3.23Å; N83-C85 PolarHBondContact OD1-N 3.31Å
84G77Confident86.6Confident55 Ų5549.5 Ų49.557%0.56728%0.28SS*.SBendtrans84.5-6.9-178.700000115.2W81 S82W81-G84 PolarHBondContact O-N 2.84Å; S82-G84 VanDerWaalsContact C-N 3.32Å
85C78.5Confident86.5Confident73 Ų7351.7 Ų51.749%0.49329%0.29SS..  trans-73.2147.4174.7-60.60000110.8T80 W81 N83T80-C85 CarbonylContact C-O 3.54Å; T80-C85 VanDerWaalsContact CA-O 3.26Å; T80-C85 WeakPolarHBondContact CA-O 3.42Å; T80-C85 WeakPolarHBondContact CB-O 3.36Å; W81-C85 PolarHBondContact N-O 3.38Å; N83-C85 VanDerWaalsContact C-N 3.32Å; N83-C85 PolarHBondContact O-N 3.07Å; N83-C85 VanDerWaalsContact OD1-CB 3.32Å; N83-C85 WeakPolarHBondContact OD1-CB 3.23Å; N83-C85 PolarHBondContact OD1-N 3.31Å
86S83.3Confident86.6Confident19 Ų1948.9 Ų48.913%0.13328%0.28CS..BIsolated β-bridgetrans-62.8144.7175.1-173.60000111.9T77 I88 S129 Q130T77-S86 PolarHBondContact O-OG 3.43Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact OG-O 3.06Å; S86-S129 WeakPolarHBondContact CB-OG 3.33Å; S86-Q130 PolarHBondContact OG-NE2 3.01Å
87L85.6Confident86.7Confident3 Ų348.8 Ų48.82%0.01628%0.279CS..SBendtrans-61.5-41.1177.9-174.165.9000111.3L39 I47 W75 L76 C79 W81L39-L87 HydrophobicContact CD2-CD1 4.24Å; L39-L87 HydrophobicContact CD2-CD2 4.06Å; I47-L87 HydrophobicContact CD1-CD1 4.17Å; I47-L87 HydrophobicContact CD1-CD2 4.27Å; I47-L87 HydrophobicContact CD1-CG 4.31Å; I47-L87 HydrophobicContact CG1-CD1 4.03Å; I47-L87 HydrophobicContact CG1-CG 4.42Å; W75-L87 HydrophobicContact CZ3-CD2 4.39Å; L76-L87 HydrophobicContact CD2-CD2 3.59Å; L76-L87 WeakPolarHBondContact O-CB 3.46Å; C79-L87 HydrophobicContact CB-CB 4.05Å; C79-L87 HydrophobicContact CB-CD2 3.74Å; C79-L87 VanDerWaalsContact O-CB 3.31Å; C79-L87 WeakPolarHBondContact O-CB 3.26Å; C79-L87 PolarHBondContact O-N 3.09Å; W81-L87 HydrophobicContact CD2-CD1 3.76Å; W81-L87 VanDerWaalsContact CE2-CD1 3.41Å; W81-L87 HydrophobicContact CE3-CD1 3.92Å; W81-L87 HydrophobicContact CH2-CD1 3.47Å; W81-L87 VanDerWaalsContact CH2-CD1 3.47Å; W81-L87 HydrophobicContact CZ2-CD1 3.3Å; W81-L87 HydrophobicContact CZ3-CD1 3.78Å
88I90.4Very high86.7Confident0 Ų052.1 Ų52.10%029%0.294CS..SBendtrans-90.9117.1172-62.2-62.9000109.5I47 L76 S86 Q92 A93 I96 F125 Q130I47-I88 HydrophobicContact CG2-CD1 4.1Å; L76-I88 HydrophobicContact CB-CD1 3.98Å; L76-I88 HydrophobicContact CB-CG1 3.83Å; L76-I88 HydrophobicContact CD1-CD1 4.44Å; S86-I88 VanDerWaalsContact C-N 3.31Å; S86-I88 PolarHBondContact OG-O 3.06Å; I88-Q92 HydrophobicContact CG2-CB 3.99Å; I88-A93 HydrophobicContact CG2-CB 4.04Å; I88-I96 HydrophobicContact CD1-CD1 4.32Å; I88-I96 HydrophobicContact CG2-CD1 4.29Å; I88-F125 HydrophobicContact CG2-CE1 4.25Å; I88-Q130 HydrophobicContact CG2-CG 4.35Å; I88-Q130 PolarHBondContact O-NE2 3.12Å
89N89.4Confident86.8Confident63 Ų6349.9 Ų49.934%0.33729%0.288SS..  trans-79.7167.1175.275.941.2000111.5E91 Q92 A93N89-E91 PolarHBondContact O-N 3.17Å; N89-E91 PolarHBondContact OD1-N 3.12Å; N89-Q92 PolarHBondContact ND2-OE1 3.37Å; N89-Q92 PolarHBondContact O-N 3.34Å; N89-Q92 WeakPolarHBondContact OD1-CG 3.34Å; N89-Q92 PolarHBondContact OD1-N 3.18Å; N89-A93 PolarHBondContact O-N 3.04Å
90P89.9Confident86.8Confident40 Ų4049 Ų4926%0.2628%0.282SS..Hα-helixtrans-61.3-35.8-177.8-24.134.4000114.9A93 K94 S132 G133P90-A93 PolarHBondContact O-N 3.12Å; P90-K94 PolarHBondContact O-N 2.75Å; P90-S132 WeakPolarHBondContact CB-OG 3.49Å; P90-S132 WeakPolarHBondContact CG-OG 3.41Å; P90-G133 WeakPolarHBondContact O-CA 3.44Å
91E90.5Very high87.1Confident126 Ų12645.4 Ų45.459%0.58926%0.26SS*.Hα-helixtrans-69-40.9178.4-71.3-68171.600111.8N89 A93 K94 Q95N89-E91 PolarHBondContact O-N 3.17Å; N89-E91 PolarHBondContact OD1-N 3.12Å; E91-A93 VanDerWaalsContact C-N 3.35Å; E91-K94 WeakPolarHBondContact O-CB 3.32Å; E91-K94 PolarHBondContact O-N 3.45Å; E91-Q95 PolarHBondContact O-N 2.95Å
92Q91.5Very high87.4Confident8 Ų844.9 Ų44.94%0.03726%0.264CS..Hα-helixtrans-63.7-41173.8-70.8168.3-29.700111.3D48 I88 N89 K94 Q95 I96D48-Q92 PolarHBondContact OD1-NE2 3.17Å; I88-Q92 HydrophobicContact CG2-CB 3.99Å; N89-Q92 PolarHBondContact ND2-OE1 3.37Å; N89-Q92 PolarHBondContact O-N 3.34Å; N89-Q92 WeakPolarHBondContact OD1-CG 3.34Å; N89-Q92 PolarHBondContact OD1-N 3.18Å; Q92-K94 VanDerWaalsContact C-N 3.33Å; Q92-K94 PolarHBondContact O-N 3Å; Q92-Q95 WeakPolarHBondContact O-CB 3.34Å; Q92-Q95 PolarHBondContact O-N 2.96Å; Q92-I96 VanDerWaalsContact O-CG1 3.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.32Å; Q92-I96 PolarHBondContact O-N 2.84Å
93A92.5Very high87.8Confident0 Ų040.8 Ų40.80%024%0.243CC..Hα-helixtrans-61-43.5176.300000111.7I88 N89 P90 E91 Q95 I96 V97 F125 Q130 I134I88-A93 HydrophobicContact CG2-CB 4.04Å; N89-A93 PolarHBondContact O-N 3.04Å; P90-A93 PolarHBondContact O-N 3.12Å; E91-A93 VanDerWaalsContact C-N 3.35Å; A93-Q95 VanDerWaalsContact C-N 3.35Å; A93-Q95 PolarHBondContact O-N 3.32Å; A93-I96 PolarHBondContact O-N 3.24Å; A93-V97 WeakPolarHBondContact O-CG2 3.43Å; A93-V97 PolarHBondContact O-N 3.48Å; A93-V97 VanDerWaalsContact O-N 3.07Å; A93-F125 HydrophobicContact CB-CD1 3.96Å; A93-F125 HydrophobicContact CB-CD2 4.5Å; A93-F125 HydrophobicContact CB-CE1 3.85Å; A93-F125 HydrophobicContact CB-CE2 4.4Å; A93-F125 HydrophobicContact CB-CG 4.29Å; A93-F125 HydrophobicContact CB-CZ 4.08Å; A93-Q130 HydrophobicContact CB-CB 3.69Å; A93-Q130 HydrophobicContact CB-CG 3.78Å; A93-I134 HydrophobicContact CB-CD1 4.11Å
94K93.2Very high88.3Confident50 Ų5039.3 Ų39.322%0.21723%0.232CC..Hα-helixtrans-57.1-47.5172.6171.7-177.2-172.1166.60111.6P90 E91 Q92 V97 Q98 S136 M137P90-K94 PolarHBondContact O-N 2.75Å; E91-K94 WeakPolarHBondContact O-CB 3.32Å; E91-K94 PolarHBondContact O-N 3.45Å; Q92-K94 VanDerWaalsContact C-N 3.33Å; Q92-K94 PolarHBondContact O-N 3Å; K94-V97 PolarHBondContact O-N 3.42Å; K94-Q98 VanDerWaalsContact O-CB 3.26Å; K94-Q98 WeakPolarHBondContact O-CB 3.41Å; K94-Q98 PolarHBondContact O-N 3.29Å; K94-S136 WeakPolarHBondContact CD-OG 3.4Å; K94-S136 PolarHBondContact NZ-OG 3.45Å; K94-S136 VanDerWaalsContact NZ-OG 3.1Å; K94-M137 HydrophobicContact CB-SD 4.46Å; K94-M137 HydrophobicContact CD-CG 4.25Å; K94-M137 HydrophobicContact CG-CG 3.78Å; K94-M137 HydrophobicContact CG-SD 3.96Å
95Q91.3Very high88.8Confident60 Ų6037.5 Ų37.528%0.2821%0.209SC..Hα-helixtrans-61.8-45.1179.2-166.5-173.7-500112.2D52 E91 Q92 A93 V97 Q98 D99D52-Q95 PolarHBondContact OD1-NE2 3.32Å; E91-Q95 PolarHBondContact O-N 2.95Å; Q92-Q95 WeakPolarHBondContact O-CB 3.34Å; Q92-Q95 PolarHBondContact O-N 2.96Å; A93-Q95 VanDerWaalsContact C-N 3.35Å; A93-Q95 PolarHBondContact O-N 3.32Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 3.32Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q95-D99 WeakPolarHBondContact CG-OD2 3.26Å; Q95-D99 WeakPolarHBondContact O-CB 3.24Å; Q95-D99 PolarHBondContact O-N 2.8Å
96I92.9Very high89.1Confident0 Ų038 Ų380%021%0.211CC..Iπ-helixtrans-57.9-43.4176.4-68.5163.8000110.9T51 F73 I88 Q92 A93 G100 I101 L121 F125T51-I96 HydrophobicContact CG2-CD1 3.69Å; T51-I96 HydrophobicContact CG2-CG1 3.39Å; F73-I96 HydrophobicContact CD1-CD1 3.76Å; F73-I96 HydrophobicContact CD1-CG1 4.17Å; F73-I96 HydrophobicContact CD1-CG2 4.27Å; F73-I96 HydrophobicContact CD2-CG2 4.2Å; F73-I96 HydrophobicContact CE1-CD1 3.82Å; F73-I96 HydrophobicContact CE1-CG1 3.79Å; F73-I96 HydrophobicContact CE1-CG2 4.27Å; F73-I96 HydrophobicContact CE2-CG2 4.18Å; F73-I96 HydrophobicContact CG-CG2 4.24Å; F73-I96 HydrophobicContact CZ-CG1 4.22Å; F73-I96 HydrophobicContact CZ-CG2 4.22Å; I88-I96 HydrophobicContact CD1-CD1 4.32Å; I88-I96 HydrophobicContact CG2-CD1 4.29Å; Q92-I96 VanDerWaalsContact O-CG1 3.25Å; Q92-I96 WeakPolarHBondContact O-CG1 3.32Å; Q92-I96 PolarHBondContact O-N 2.84Å; A93-I96 PolarHBondContact O-N 3.24Å; I96-G100 CarbonylContact O-C 3.6Å; I96-G100 VanDerWaalsContact O-CA 3.24Å; I96-G100 WeakPolarHBondContact O-CA 3.38Å; I96-G100 PolarHBondContact O-N 3.25Å; I96-I101 HydrophobicContact CG2-CD1 4.32Å; I96-I101 HydrophobicContact CG2-CG1 4.5Å; I96-I101 PolarHBondContact O-N 3Å; I96-L121 HydrophobicContact CG2-CD2 4.44Å; I96-F125 HydrophobicContact CD1-CZ 4.22Å; I96-F125 HydrophobicContact CG2-CE2 4.27Å; I96-F125 HydrophobicContact CG2-CZ 4.4Å
97V93Very high89.3Confident0 Ų037.8 Ų37.80%021%0.208CC..Iπ-helixtrans-70.6-48.7179.1175.20000110.9A93 K94 Q95 I101 C102 L122 F125 I134 M137 F141A93-V97 WeakPolarHBondContact O-CG2 3.43Å; A93-V97 PolarHBondContact O-N 3.48Å; A93-V97 VanDerWaalsContact O-N 3.07Å; K94-V97 PolarHBondContact O-N 3.42Å; Q95-V97 VanDerWaalsContact C-N 3.3Å; Q95-V97 PolarHBondContact O-N 3.32Å; V97-I101 HydrophobicContact CG2-CD1 4.26Å; V97-I101 PolarHBondContact O-N 3.27Å; V97-C102 VanDerWaalsContact O-CB 3.3Å; V97-C102 WeakPolarHBondContact O-CB 3.12Å; V97-C102 PolarHBondContact O-N 3.16Å; V97-C102 PolarHBondContact O-SG 3.01Å; V97-C102 VanDerWaalsContact O-SG 3.33Å; V97-L122 HydrophobicContact CG1-CD2 4.48Å; V97-L122 HydrophobicContact CG2-CD2 4Å; V97-F125 HydrophobicContact CG2-CD2 3.83Å; V97-F125 HydrophobicContact CG2-CE2 3.92Å; V97-I134 HydrophobicContact CB-CD1 4.33Å; V97-I134 HydrophobicContact CG2-CD1 3.73Å; V97-M137 HydrophobicContact CB-SD 4.38Å; V97-M137 HydrophobicContact CG1-CE 4.07Å; V97-M137 HydrophobicContact CG1-SD 4.22Å; V97-F141 HydrophobicContact CG1-CD2 4.1Å; V97-F141 HydrophobicContact CG1-CE2 4.28Å
98Q90.8Very high89.4Confident79 Ų7941.5 Ų41.537%0.36923%0.225SC..Iπ-helixtrans-69.9-53.9-173.6-175.5172.2-13.500112.7K94 Q95 G103 M137K94-Q98 VanDerWaalsContact O-CB 3.26Å; K94-Q98 WeakPolarHBondContact O-CB 3.41Å; K94-Q98 PolarHBondContact O-N 3.29Å; Q95-Q98 PolarHBondContact O-N 3.45Å; Q98-G103 PolarHBondContact O-N 3.47Å; Q98-G103 VanDerWaalsContact O-N 3.09Å; Q98-M137 HydrophobicContact CB-CE 3.88Å; Q98-M137 HydrophobicContact CG-CE 4.43Å
99D88.3Confident89.3Confident74 Ų7448 Ų4840%0.39626%0.26SS..Iπ-helixtrans-89.4-37.3-172.1-58.9-26.3000111Q95 G103 H104Q95-D99 WeakPolarHBondContact CG-OD2 3.26Å; Q95-D99 WeakPolarHBondContact O-CB 3.24Å; Q95-D99 PolarHBondContact O-N 2.8Å; D99-G103 WeakPolarHBondContact O-CA 3.39Å; D99-H104 PolarHBondContact O-CD2 2.92Å
100G88.3Confident89.3Confident0 Ų046.2 Ų46.20%025%0.25CC..Iπ-helixtrans-81.5-73.7179.700000113.3I96 H104I96-G100 CarbonylContact O-C 3.6Å; I96-G100 VanDerWaalsContact O-CA 3.24Å; I96-G100 WeakPolarHBondContact O-CA 3.38Å; I96-G100 PolarHBondContact O-N 3.25Å; G100-H104 WeakPolarHBondContact O-CB 3.18Å; G100-H104 PolarHBondContact O-N 2.86Å; G100-H104 VanDerWaalsContact O-N 3.09Å
101I90.2Very high89.3Confident1 Ų149 Ų491%0.00526%0.26CS..Iπ-helixtrans-67.6-56-170-61.6172.8000111I96 V97 L105 I107 V118 L121 L122I96-I101 HydrophobicContact CG2-CD1 4.32Å; I96-I101 HydrophobicContact CG2-CG1 4.5Å; I96-I101 PolarHBondContact O-N 3Å; V97-I101 HydrophobicContact CG2-CD1 4.26Å; V97-I101 PolarHBondContact O-N 3.27Å; I101-L105 VanDerWaalsContact O-CB 3.32Å; I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 PolarHBondContact O-N 3.48Å; I101-I107 HydrophobicContact CG2-CD1 3.83Å; I101-I107 HydrophobicContact CG2-CG1 4.39Å; I101-V118 HydrophobicContact CG2-CG1 3.88Å; I101-L121 HydrophobicContact CD1-CD2 3.89Å; I101-L122 HydrophobicContact CD1-CD2 4.42Å
102C87.5Confident89.3Confident43 Ų4347.3 Ų47.329%0.29125%0.251SS..Hα-helixtrans-78.5-28.9-177.6-60.50000112.6V97 N144V97-C102 VanDerWaalsContact O-CB 3.3Å; V97-C102 WeakPolarHBondContact O-CB 3.12Å; V97-C102 PolarHBondContact O-N 3.16Å; V97-C102 PolarHBondContact O-SG 3.01Å; V97-C102 VanDerWaalsContact O-SG 3.33Å; C102-N144 HydrophobicContact CB-CB 4.21Å; C102-N144 VanDerWaalsContact SG-CB 3.52Å
103G84.5Confident89.2Confident49 Ų4949.5 Ų49.551%0.50527%0.267SS..Hα-helixtrans-77.8-35.2-178.900000114.5Q98 D99Q98-G103 PolarHBondContact O-N 3.47Å; Q98-G103 VanDerWaalsContact O-N 3.09Å; D99-G103 WeakPolarHBondContact O-CA 3.39Å
104H85.7Confident89.1Confident83 Ų8349.6 Ų49.638%0.38427%0.268SS..Hα-helixtrans-118.7-26-172.3-63.5-39.8000115.1S55 L58 A59 D99 G100S55-H104 PolarHBondContact O-CD2 3.34Å; L58-H104 HydrophobicContact CB-CB 4.11Å; A59-H104 HydrophobicContact CB-CB 4.42Å; D99-H104 PolarHBondContact O-CD2 2.92Å; G100-H104 WeakPolarHBondContact O-CB 3.18Å; G100-H104 PolarHBondContact O-N 2.86Å; G100-H104 VanDerWaalsContact O-N 3.09Å
105L86.9Confident89.2Confident16 Ų1649.4 Ų49.48%0.08427%0.266CS..  trans-100.6126.5-174.5-55179.4000111.9L58 T66 L70 I101 I107 L110 V118L58-L105 HydrophobicContact CB-CD2 4.13Å; L58-L105 HydrophobicContact CB-CG 4.44Å; L58-L105 HydrophobicContact CD1-CD1 4.18Å; L58-L105 HydrophobicContact CD1-CG 4.43Å; L58-L105 HydrophobicContact CD2-CD1 4.21Å; L58-L105 HydrophobicContact CD2-CD2 4.27Å; T66-L105 HydrophobicContact CG2-CD1 4.22Å; T66-L105 HydrophobicContact CG2-CD2 3.88Å; L70-L105 HydrophobicContact CD2-CD1 4.5Å; I101-L105 VanDerWaalsContact O-CB 3.32Å; I101-L105 WeakPolarHBondContact O-CB 3.45Å; I101-L105 PolarHBondContact O-N 3.48Å; L105-I107 PolarHBondContact O-N 2.63Å; L105-L110 HydrophobicContact CD1-CD1 4.44Å; L105-V118 HydrophobicContact CD1-CG2 4.38Å
106T86.2Confident89.3Confident85 Ų8547.8 Ų47.852%0.52126%0.259SS..  trans-85.592.8159.7-47.60000108.7Q108 N109T106-Q108 VanDerWaalsContact C-N 3.27Å; T106-Q108 PolarHBondContact O-N 3.38Å; T106-N109 HydrophobicContact CG2-CB 4.28Å; T106-N109 WeakPolarHBondContact O-CB 3.45Å; T106-N109 PolarHBondContact O-N 2.66Å
107I87.6Confident89.3Confident13 Ų1349.3 Ų49.37%0.06727%0.266CS..G310 helixtrans-54.7-41.5-169.9-62.7164.9000112.2I101 L105 N109 L110 R115 V118 F119 A148I101-I107 HydrophobicContact CG2-CD1 3.83Å; I101-I107 HydrophobicContact CG2-CG1 4.39Å; L105-I107 PolarHBondContact O-N 2.63Å; I107-N109 PolarHBondContact O-N 3.3Å; I107-L110 WeakPolarHBondContact O-CB 3.22Å; I107-L110 PolarHBondContact O-N 3.43Å; I107-R115 HydrophobicContact CG2-CG 4.39Å; I107-R115 VanDerWaalsContact O-CD 3.28Å; I107-R115 WeakPolarHBondContact O-CD 3.39Å; I107-R115 VanDerWaalsContact O-CG 3.27Å; I107-R115 WeakPolarHBondContact O-CG 3.38Å; I107-V118 HydrophobicContact CD1-CG1 3.87Å; I107-V118 HydrophobicContact CG1-CG1 4.18Å; I107-V118 HydrophobicContact CG2-CG1 4.43Å; I107-F119 HydrophobicContact CG2-CE2 4.29Å; I107-F119 HydrophobicContact CG2-CZ 4.27Å; I107-A148 HydrophobicContact CB-CB 4.45Å; I107-A148 HydrophobicContact CD1-CB 3.41Å; I107-A148 VanDerWaalsContact CD1-CB 3.41Å
108Q87.7Confident89.4Confident82 Ų8249.3 Ų49.338%0.38327%0.266SS..G310 helixtrans-60.1-30.5178.4-67.1175.8-33.400113.6T106 L110 V147 D150T106-Q108 VanDerWaalsContact C-N 3.27Å; T106-Q108 PolarHBondContact O-N 3.38Å; Q108-L110 VanDerWaalsContact C-N 3.33Å; Q108-V147 PolarHBondContact NE2-O 2.69Å; Q108-D150 PolarHBondContact NE2-O 2.95Å
109N87.8Confident89.6Confident136 Ų13645.6 Ų45.673%0.72725%0.249SC*.G310 helixtrans-81.9-10.2179.2-70.6-15.2000113.2T106 I107T106-N109 HydrophobicContact CG2-CB 4.28Å; T106-N109 WeakPolarHBondContact O-CB 3.45Å; T106-N109 PolarHBondContact O-N 2.66Å; I107-N109 PolarHBondContact O-N 3.3Å
110L88.9Confident89.9Confident25 Ų2544.7 Ų44.713%0.13124%0.242CC..SBendtrans-71.5148.5178.2-59.8176.1000110.6T66 L105 I107 Q108 R115 V118T66-L110 HydrophobicContact CG2-CD2 4.15Å; L105-L110 HydrophobicContact CD1-CD1 4.44Å; I107-L110 WeakPolarHBondContact O-CB 3.22Å; I107-L110 PolarHBondContact O-N 3.43Å; Q108-L110 VanDerWaalsContact C-N 3.33Å; L110-R115 HydrophobicContact CB-CG 3.74Å; L110-R115 PolarHBondContact O-NH1 3.17Å; L110-V118 HydrophobicContact CD1-CG2 4Å
111M90.5Very high90.2Very high98 Ų9844.7 Ų44.748%0.48324%0.242SC..  trans-60.9158.4166.7-58-177-56.200110.3P63 S113 G114 R115P63-M111 HydrophobicContact CB-CE 3.52Å; P63-M111 HydrophobicContact CB-SD 4.38Å; M111-S113 PolarHBondContact O-N 3.37Å; M111-G114 PolarHBondContact O-N 3.49Å; M111-R115 PolarHBondContact O-N 2.9Å; M111-R115 VanDerWaalsContact O-N 3.09Å
112K89.8Confident90.5Very high92 Ų9245 Ų4540%0.424%0.244SC..Hα-helixtrans-45.2-45.1180172.9-179.9169.3160.30113.4G114 R115 L116 D154K112-G114 PolarHBondContact O-N 2.82Å; K112-R115 PolarHBondContact O-N 3.4Å; K112-L116 WeakPolarHBondContact O-CB 3.39Å; K112-L116 PolarHBondContact O-N 3.2Å; K112-D154 WeakPolarHBondContact CD-OD2 3.47Å; K112-D154 WeakPolarHBondContact CE-OD2 3.37Å; K112-D154 IonicContact NZ-OD1 3.87Å; K112-D154 IonicContact NZ-OD2 2.86Å; K112-D154 PolarHBondContact NZ-OD2 3.24Å
113S89.6Confident90.8Very high53 Ų5344.1 Ų44.137%0.37124%0.235SC..Hα-helixtrans-60.3-43.3-179.552.90000112.7N67 M111 K117N67-S113 PolarHBondContact ND2-OG 3.22Å; N67-S113 PolarHBondContact OD1-OG 3.28Å; M111-S113 PolarHBondContact O-N 3.37Å; S113-K117 VanDerWaalsContact O-CG 3.31Å; S113-K117 WeakPolarHBondContact O-CG 3.37Å; S113-K117 PolarHBondContact O-N 2.96Å; S113-K117 VanDerWaalsContact O-N 3.16Å
114G91Very high91.2Very high2 Ų245.4 Ų45.42%0.02123%0.225CC..Hα-helixtrans-65.4-48.1177.100000111.4N67 M111 K112 L116 K117 V118N67-G114 WeakPolarHBondContact OD1-CA 3.36Å; N67-G114 PolarHBondContact OD1-N 3.41Å; M111-G114 PolarHBondContact O-N 3.49Å; K112-G114 PolarHBondContact O-N 2.82Å; G114-L116 PolarHBondContact O-N 2.94Å; G114-K117 PolarHBondContact O-N 2.71Å; G114-V118 WeakPolarHBondContact O-CG2 3.34Å; G114-V118 PolarHBondContact O-N 2.89Å
115R93.8Very high91.6Very high47 Ų4741.5 Ų41.518%0.17721%0.207CC..Hα-helixtrans-58.8-48.3178.1-61.6-161.5-48.9-94.18.9112I107 L110 M111 K112 K117 V118 F119 E152 I157I107-R115 HydrophobicContact CG2-CG 4.39Å; I107-R115 VanDerWaalsContact O-CD 3.28Å; I107-R115 WeakPolarHBondContact O-CD 3.39Å; I107-R115 VanDerWaalsContact O-CG 3.27Å; I107-R115 WeakPolarHBondContact O-CG 3.38Å; L110-R115 HydrophobicContact CB-CG 3.74Å; L110-R115 PolarHBondContact O-NH1 3.17Å; M111-R115 PolarHBondContact O-N 2.9Å; M111-R115 VanDerWaalsContact O-N 3.09Å; K112-R115 PolarHBondContact O-N 3.4Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 3.14Å; R115-V118 PolarHBondContact O-N 3.46Å; R115-F119 HydrophobicContact CB-CD2 4.45Å; R115-F119 HydrophobicContact CB-CE2 4.36Å; R115-F119 WeakPolarHBondContact O-CD2 3.37Å; R115-F119 PolarHBondContact O-N 3.02Å; R115-E152 IonicContact CZ-OE1 2.91Å; R115-E152 IonicContact CZ-OE2 3.6Å; R115-E152 IonicContact NE-OE1 2.64Å; R115-E152 IonicContact NE-OE2 2.76Å; R115-E152 PolarHBondContact NE-OE2 3.49Å; R115-E152 IonicContact NH2-OE1 2.74Å; R115-E152 PolarHBondContact NH2-OE1 3.33Å; R115-E152 VanDerWaalsContact NH2-OE1 3.13Å; R115-E152 IonicContact NH2-OE2 2.71Å; R115-E152 PolarHBondContact NH2-OE2 3.19Å; R115-I157 HydrophobicContact CB-CD1 3.76Å
116L93.6Very high91.9Very high25 Ų2540.9 Ų40.913%0.13120%0.204CC..Hα-helixtrans-56.3-44.3178178.562.9000111.7K112 G114 F119 Q120 Q156 I157 L160K112-L116 WeakPolarHBondContact O-CB 3.39Å; K112-L116 PolarHBondContact O-N 3.2Å; G114-L116 PolarHBondContact O-N 2.94Å; L116-F119 PolarHBondContact O-N 2.72Å; L116-Q120 HydrophobicContact CD1-CG 4.3Å; L116-Q120 HydrophobicContact CG-CG 4.46Å; L116-Q120 WeakPolarHBondContact O-CB 3.09Å; L116-Q120 VanDerWaalsContact O-CG 3.24Å; L116-Q120 WeakPolarHBondContact O-CG 3.35Å; L116-Q120 PolarHBondContact O-N 3.48Å; L116-Q156 HydrophobicContact CD1-CG 3.98Å; L116-I157 HydrophobicContact CB-CD1 4.25Å; L116-I157 HydrophobicContact CB-CG1 4.21Å; L116-I157 HydrophobicContact CD1-CG1 4.03Å; L116-L160 HydrophobicContact CD1-CD1 3.79Å
117K94Very high92Very high33 Ų3340.6 Ų40.614%0.14320%0.202CC..Hα-helixtrans-66-40.5178.2-72.2175.3-177.6-173.40112.7N67 L70 D71 I74 S113 G114 R115 Q120 L121N67-K117 PolarHBondContact O-NZ 3.43Å; L70-K117 HydrophobicContact CB-CB 3.9Å; L70-K117 HydrophobicContact CB-CD 4.09Å; L70-K117 HydrophobicContact CD1-CB 4.03Å; D71-K117 WeakPolarHBondContact OD1-CD 3.31Å; D71-K117 WeakPolarHBondContact OD1-CE 3.36Å; D71-K117 IonicContact OD1-NZ 3.02Å; D71-K117 PolarHBondContact OD1-NZ 2.98Å; D71-K117 IonicContact OD2-NZ 3.68Å; D71-K117 PolarHBondContact OD2-NZ 3.38Å; I74-K117 HydrophobicContact CD1-CB 3.87Å; I74-K117 HydrophobicContact CD1-CG 4.03Å; S113-K117 VanDerWaalsContact O-CG 3.31Å; S113-K117 WeakPolarHBondContact O-CG 3.37Å; S113-K117 PolarHBondContact O-N 2.96Å; S113-K117 VanDerWaalsContact O-N 3.16Å; G114-K117 PolarHBondContact O-N 2.71Å; R115-K117 VanDerWaalsContact C-N 3.29Å; R115-K117 PolarHBondContact O-N 3.14Å; K117-Q120 PolarHBondContact O-N 3.18Å; K117-L121 WeakPolarHBondContact O-CB 3.4Å; K117-L121 PolarHBondContact O-N 3.47Å
118V94.7Very high92Very high0 Ų041.5 Ų41.50%022%0.215CC..Hα-helixtrans-58.4-50.21741730000110.2L70 I101 L105 I107 L110 G114 R115 Q120 L121 L122L70-V118 HydrophobicContact CD1-CG2 3.69Å; L70-V118 HydrophobicContact CD2-CG2 3.94Å; L70-V118 HydrophobicContact CG-CG2 4.5Å; I101-V118 HydrophobicContact CG2-CG1 3.88Å; L105-V118 HydrophobicContact CD1-CG2 4.38Å; I107-V118 HydrophobicContact CD1-CG1 3.87Å; I107-V118 HydrophobicContact CG1-CG1 4.18Å; I107-V118 HydrophobicContact CG2-CG1 4.43Å; L110-V118 HydrophobicContact CD1-CG2 4Å; G114-V118 WeakPolarHBondContact O-CG2 3.34Å; G114-V118 PolarHBondContact O-N 2.89Å; R115-V118 PolarHBondContact O-N 3.46Å; V118-Q120 PolarHBondContact O-N 3.24Å; V118-L121 WeakPolarHBondContact O-CB 3.46Å; V118-L121 PolarHBondContact O-N 3.05Å; V118-L122 HydrophobicContact CG1-CD1 4.11Å; V118-L122 HydrophobicContact CG1-CG 4.43Å; V118-L122 WeakPolarHBondContact O-CG 3.36Å; V118-L122 PolarHBondContact O-N 2.96Å
119F95.9Very high92Very high0 Ų041.4 Ų41.40%022%0.223CC..Hα-helixtrans-68.9-31.9-179.6-69.8-60.1000113.5I107 R115 L116 L122 H123 A148 I149 I157 L160 I161 M164I107-F119 HydrophobicContact CG2-CE2 4.29Å; I107-F119 HydrophobicContact CG2-CZ 4.27Å; R115-F119 HydrophobicContact CB-CD2 4.45Å; R115-F119 HydrophobicContact CB-CE2 4.36Å; R115-F119 WeakPolarHBondContact O-CD2 3.37Å; R115-F119 PolarHBondContact O-N 3.02Å; L116-F119 PolarHBondContact O-N 2.72Å; F119-L122 HydrophobicContact CD1-CD1 4.22Å; F119-H123 VanDerWaalsContact O-CB 3.25Å; F119-H123 WeakPolarHBondContact O-CB 3.28Å; F119-H123 PolarHBondContact O-N 2.86Å; F119-A148 HydrophobicContact CE1-CB 4.32Å; F119-A148 HydrophobicContact CZ-CB 4.45Å; F119-A148 WeakPolarHBondContact CZ-O 3.49Å; F119-I149 HydrophobicContact CE1-CG2 3.61Å; F119-I149 HydrophobicContact CZ-CG2 4.08Å; F119-I157 HydrophobicContact CB-CG2 4.4Å; F119-I157 HydrophobicContact CD2-CB 4.49Å; F119-I157 HydrophobicContact CD2-CG2 3.15Å; F119-I157 HydrophobicContact CE2-CG2 3.45Å; F119-I157 VanDerWaalsContact CE2-CG2 3.45Å; F119-I157 HydrophobicContact CG-CG2 3.92Å; F119-I157 HydrophobicContact CZ-CG2 4.41Å; F119-L160 HydrophobicContact CB-CD1 4.45Å; F119-I161 HydrophobicContact CD1-CG1 4.21Å; F119-I161 HydrophobicContact CE1-CD1 4.24Å; F119-I161 HydrophobicContact CE1-CG1 4.13Å; F119-I161 HydrophobicContact CE2-CD1 4.27Å; F119-I161 HydrophobicContact CZ-CD1 3.99Å; F119-I161 HydrophobicContact CZ-CG1 4.37Å; F119-M164 HydrophobicContact CB-CE 4.03Å; F119-M164 HydrophobicContact CD1-CE 3.66Å; F119-M164 HydrophobicContact CG-CE 4.23Å
120Q94.6Very high92.1Very high55 Ų5535.1 Ų35.126%0.25719%0.189SC..Hα-helixtrans-63.8-45.8170.2-77.4176-12.500111.5I74 L116 K117 V118 H123 Y124 L160I74-Q120 HydrophobicContact CD1-CB 4.32Å; L116-Q120 HydrophobicContact CD1-CG 4.3Å; L116-Q120 HydrophobicContact CG-CG 4.46Å; L116-Q120 WeakPolarHBondContact O-CB 3.09Å; L116-Q120 VanDerWaalsContact O-CG 3.24Å; L116-Q120 WeakPolarHBondContact O-CG 3.35Å; L116-Q120 PolarHBondContact O-N 3.48Å; K117-Q120 PolarHBondContact O-N 3.18Å; V118-Q120 PolarHBondContact O-N 3.24Å; Q120-H123 WeakPolarHBondContact O-CB 3.48Å; Q120-H123 PolarHBondContact O-N 3.1Å; Q120-Y124 HydrophobicContact CB-CE2 4.35Å; Q120-Y124 WeakPolarHBondContact O-CD2 3.47Å; Q120-Y124 PolarHBondContact O-N 3.41Å; Q120-L160 HydrophobicContact CG-CD1 3.85Å
121L94.7Very high92.3Very high0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-61.4-47.5177.8-177.858.7000111.5L70 F73 I74 T77 I96 I101 K117 V118 H123 Y124 F125L70-L121 HydrophobicContact CD2-CD2 4.34Å; F73-L121 HydrophobicContact CB-CD1 4.09Å; F73-L121 HydrophobicContact CB-CD2 3.64Å; F73-L121 HydrophobicContact CD2-CD2 4.45Å; F73-L121 HydrophobicContact CG-CD2 4.36Å; I74-L121 HydrophobicContact CG1-CB 4.01Å; I74-L121 HydrophobicContact CG1-CD1 4.22Å; T77-L121 WeakPolarHBondContact OG1-CD1 3.31Å; I96-L121 HydrophobicContact CG2-CD2 4.44Å; I101-L121 HydrophobicContact CD1-CD2 3.89Å; K117-L121 WeakPolarHBondContact O-CB 3.4Å; K117-L121 PolarHBondContact O-N 3.47Å; V118-L121 WeakPolarHBondContact O-CB 3.46Å; V118-L121 PolarHBondContact O-N 3.05Å; L121-H123 VanDerWaalsContact C-N 3.31Å; L121-H123 PolarHBondContact O-N 2.88Å; L121-Y124 PolarHBondContact O-N 3.46Å; L121-F125 HydrophobicContact CD1-CE1 4.04Å; L121-F125 HydrophobicContact CD1-CE2 3.85Å; L121-F125 HydrophobicContact CD1-CZ 3.59Å; L121-F125 HydrophobicContact CD2-CE2 4.3Å; L121-F125 HydrophobicContact CG-CD2 4.31Å; L121-F125 HydrophobicContact CG-CE2 3.74Å; L121-F125 HydrophobicContact CG-CZ 4.01Å; L121-F125 PolarHBondContact O-N 3.42Å
122L95.3Very high92.3Very high8 Ų834 Ų344%0.04219%0.191CC..Hα-helixtrans-58.7-42.4174-69.8177.4000111.7V97 I101 V118 F119 Y124 F125 L126 F141 M164V97-L122 HydrophobicContact CG1-CD2 4.48Å; V97-L122 HydrophobicContact CG2-CD2 4Å; I101-L122 HydrophobicContact CD1-CD2 4.42Å; V118-L122 HydrophobicContact CG1-CD1 4.11Å; V118-L122 HydrophobicContact CG1-CG 4.43Å; V118-L122 WeakPolarHBondContact O-CG 3.36Å; V118-L122 PolarHBondContact O-N 2.96Å; F119-L122 HydrophobicContact CD1-CD1 4.22Å; L122-Y124 PolarHBondContact O-N 2.92Å; L122-F125 PolarHBondContact O-N 3.12Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.11Å; L122-F141 HydrophobicContact CD2-CE2 4.22Å; L122-M164 HydrophobicContact CB-SD 3.88Å
123H94.1Very high92.4Very high24 Ų2429.8 Ų29.811%0.11117%0.173CC..Hα-helixtrans-61.5-41.7176.9-174.661.9000112.2F119 Q120 L121 L126 T127 M164F119-H123 VanDerWaalsContact O-CB 3.25Å; F119-H123 WeakPolarHBondContact O-CB 3.28Å; F119-H123 PolarHBondContact O-N 2.86Å; Q120-H123 WeakPolarHBondContact O-CB 3.48Å; Q120-H123 PolarHBondContact O-N 3.1Å; L121-H123 VanDerWaalsContact C-N 3.31Å; L121-H123 PolarHBondContact O-N 2.88Å; H123-L126 PolarHBondContact O-N 3.41Å; H123-T127 WeakPolarHBondContact O-CB 3.33Å; H123-T127 WeakPolarHBondContact O-CG2 3.4Å; H123-T127 PolarHBondContact O-N 2.97Å; H123-T127 PolarHBondContact O-OG1 3.36Å; H123-M164 HydrophobicContact CB-CG 4.03Å; H123-M164 HydrophobicContact CB-SD 3.8Å; H123-M164 PolarHBondContact N-SD 2.71Å
124Y92.8Very high92.6Very high77 Ų7727.3 Ų27.330%0.30216%0.156SC..Hα-helixtrans-62.5-42.4174.3-72.9-62.8000111.9I74 K78 Q120 L121 L122 L126 T127 G128I74-Y124 HydrophobicContact CG2-CD2 4.45Å; I74-Y124 HydrophobicContact CG2-CE2 4.05Å; K78-Y124 VanDerWaalsContact CE-CE2 3.49Å; K78-Y124 WeakPolarHBondContact CE-OH 3.2Å; K78-Y124 HydrophobicContact CG-CE1 4.41Å; K78-Y124 PolarHBondContact NZ-OH 2.93Å; Q120-Y124 HydrophobicContact CB-CE2 4.35Å; Q120-Y124 WeakPolarHBondContact O-CD2 3.47Å; Q120-Y124 PolarHBondContact O-N 3.41Å; L121-Y124 PolarHBondContact O-N 3.46Å; L122-Y124 PolarHBondContact O-N 2.92Å; Y124-L126 VanDerWaalsContact C-N 3.33Å; Y124-L126 PolarHBondContact O-N 3.33Å; Y124-T127 PolarHBondContact O-N 2.94Å; Y124-G128 WeakPolarHBondContact O-CA 3.49Å; Y124-G128 PolarHBondContact O-N 2.9Å
125F94.2Very high92.7Very high1 Ų129.9 Ų29.90%0.00417%0.168CC..Hα-helixtrans-65.8-36.2177.5-66-29.8000113.1T77 I88 A93 I96 V97 L121 L122 Q130 L131 I134T77-F125 HydrophobicContact CG2-CD1 3.73Å; T77-F125 HydrophobicContact CG2-CE1 3.56Å; T77-F125 VanDerWaalsContact OG1-CE1 3.26Å; T77-F125 WeakPolarHBondContact OG1-CE1 3.47Å; I88-F125 HydrophobicContact CG2-CE1 4.25Å; A93-F125 HydrophobicContact CB-CD1 3.96Å; A93-F125 HydrophobicContact CB-CD2 4.5Å; A93-F125 HydrophobicContact CB-CE1 3.85Å; A93-F125 HydrophobicContact CB-CE2 4.4Å; A93-F125 HydrophobicContact CB-CG 4.29Å; A93-F125 HydrophobicContact CB-CZ 4.08Å; I96-F125 HydrophobicContact CD1-CZ 4.22Å; I96-F125 HydrophobicContact CG2-CE2 4.27Å; I96-F125 HydrophobicContact CG2-CZ 4.4Å; V97-F125 HydrophobicContact CG2-CD2 3.83Å; V97-F125 HydrophobicContact CG2-CE2 3.92Å; L121-F125 HydrophobicContact CD1-CE1 4.04Å; L121-F125 HydrophobicContact CD1-CE2 3.85Å; L121-F125 HydrophobicContact CD1-CZ 3.59Å; L121-F125 HydrophobicContact CD2-CE2 4.3Å; L121-F125 HydrophobicContact CG-CD2 4.31Å; L121-F125 HydrophobicContact CG-CE2 3.74Å; L121-F125 HydrophobicContact CG-CZ 4.01Å; L121-F125 PolarHBondContact O-N 3.42Å; L122-F125 PolarHBondContact O-N 3.12Å; F125-Q130 HydrophobicContact CB-CB 4.31Å; F125-Q130 HydrophobicContact CD1-CB 3.84Å; F125-Q130 HydrophobicContact CD1-CG 3.81Å; F125-Q130 HydrophobicContact CE1-CG 4.21Å; F125-Q130 HydrophobicContact CG-CB 4.41Å; F125-L131 WeakPolarHBondContact O-CA 3.38Å; F125-L131 PolarHBondContact O-N 2.89Å; F125-L131 VanDerWaalsContact O-N 3.12Å; F125-I134 HydrophobicContact CB-CD1 4.37Å; F125-I134 HydrophobicContact CB-CG1 3.89Å; F125-I134 HydrophobicContact CD2-CD1 4.34Å
126L92.5Very high92.7Very high3 Ų330.2 Ų30.22%0.01618%0.177CC..Hα-helixtrans-75.9-24.3179.2-71.3173.5000113.7L122 H123 Y124 L131 I134 F141 M164 I167 V168 F172L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 WeakPolarHBondContact O-CG 3.4Å; L122-L126 PolarHBondContact O-N 3.11Å; H123-L126 PolarHBondContact O-N 3.41Å; Y124-L126 VanDerWaalsContact C-N 3.33Å; Y124-L126 PolarHBondContact O-N 3.33Å; L126-L131 HydrophobicContact CD2-CD1 4.04Å; L126-I134 HydrophobicContact CD2-CG2 4.37Å; L126-F141 HydrophobicContact CD1-CZ 4.41Å; L126-F141 HydrophobicContact CD2-CE1 4.18Å; L126-F141 HydrophobicContact CD2-CZ 4.13Å; L126-M164 HydrophobicContact CD1-CB 3.88Å; L126-M164 HydrophobicContact CD1-CG 3.82Å; L126-M164 HydrophobicContact CD1-SD 4.03Å; L126-I167 HydrophobicContact CB-CD1 4.25Å; L126-I167 HydrophobicContact CB-CG2 4.18Å; L126-V168 HydrophobicContact CD1-CG2 4.11Å; L126-F172 HydrophobicContact CD2-CE2 3.77Å; L126-F172 HydrophobicContact CD2-CZ 4.01Å
127T89.6Confident92.6Very high78 Ų7829.7 Ų29.748%0.47917%0.174SC..Hα-helixtrans-103.3-18-17952.90000113.9H123 Y124 I167H123-T127 WeakPolarHBondContact O-CB 3.33Å; H123-T127 WeakPolarHBondContact O-CG2 3.4Å; H123-T127 PolarHBondContact O-N 2.97Å; H123-T127 PolarHBondContact O-OG1 3.36Å; Y124-T127 PolarHBondContact O-N 2.94Å; T127-I167 HydrophobicContact CG2-CD1 3.45Å; T127-I167 VanDerWaalsContact CG2-CD1 3.45Å
128G87.5Confident92.6Very high33 Ų3334.2 Ų34.234%0.3420%0.196SC..SBendtrans-96.3-169.7-176.200000114.6Y124 Q130 L131Y124-G128 WeakPolarHBondContact O-CA 3.49Å; Y124-G128 PolarHBondContact O-N 2.9Å; G128-Q130 PolarHBondContact O-N 3.17Å; G128-Q130 VanDerWaalsContact O-N 3.12Å; G128-L131 PolarHBondContact O-N 3.42Å
129S86.3Confident92.5Very high79 Ų7935.7 Ų35.755%0.55221%0.206SC*.THydrogen-bonded Turntrans-66.5-9.4178.153.10000114.3S86 L131S86-S129 WeakPolarHBondContact CB-OG 3.33Å; S129-L131 VanDerWaalsContact C-N 3.34Å
130Q91.3Very high92.4Very high4 Ų439 Ų392%0.01922%0.224CC..THydrogen-bonded Turntrans-82.7-10.8-179.3-62.976.816.400113.4S86 I88 A93 F125 G128 S132 G133 I134S86-Q130 PolarHBondContact OG-NE2 3.01Å; I88-Q130 HydrophobicContact CG2-CG 4.35Å; I88-Q130 PolarHBondContact O-NE2 3.12Å; A93-Q130 HydrophobicContact CB-CB 3.69Å; A93-Q130 HydrophobicContact CB-CG 3.78Å; F125-Q130 HydrophobicContact CB-CB 4.31Å; F125-Q130 HydrophobicContact CD1-CB 3.84Å; F125-Q130 HydrophobicContact CD1-CG 3.81Å; F125-Q130 HydrophobicContact CE1-CG 4.21Å; F125-Q130 HydrophobicContact CG-CB 4.41Å; G128-Q130 PolarHBondContact O-N 3.17Å; G128-Q130 VanDerWaalsContact O-N 3.12Å; Q130-S132 PolarHBondContact O-N 3.4Å; Q130-S132 VanDerWaalsContact O-N 3.13Å; Q130-G133 PolarHBondContact O-N 3.46Å; Q130-I134 PolarHBondContact O-N 3.35Å
131L91.8Very high92.4Very high30 Ų3036.5 Ų36.516%0.15721%0.212CC..Hα-helixtrans-50.8-42.3-175.1175.363.4000112.3F125 L126 G128 S129 G133 I134 Q135 E171 F172F125-L131 WeakPolarHBondContact O-CA 3.38Å; F125-L131 PolarHBondContact O-N 2.89Å; F125-L131 VanDerWaalsContact O-N 3.12Å; L126-L131 HydrophobicContact CD2-CD1 4.04Å; G128-L131 PolarHBondContact O-N 3.42Å; S129-L131 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 3.25Å; L131-I134 PolarHBondContact O-N 2.92Å; L131-I134 VanDerWaalsContact O-N 3.15Å; L131-Q135 HydrophobicContact CD1-CG 3.86Å; L131-Q135 HydrophobicContact CG-CG 3.99Å; L131-Q135 WeakPolarHBondContact O-CB 3.25Å; L131-Q135 WeakPolarHBondContact O-CG 3.32Å; L131-Q135 PolarHBondContact O-N 3.38Å; L131-E171 HydrophobicContact CD1-CB 4.32Å; L131-E171 HydrophobicContact CD2-CB 4.44Å; L131-E171 HydrophobicContact CD2-CG 3.97Å; L131-F172 HydrophobicContact CD1-CE2 4.24Å
132S91.4Very high92.4Very high70 Ų7036.7 Ų36.749%0.4921%0.213SC..Hα-helixtrans-59.6-30.5-179.963.60000113.5P90 Q130 S136P90-S132 WeakPolarHBondContact CB-OG 3.49Å; P90-S132 WeakPolarHBondContact CG-OG 3.41Å; Q130-S132 PolarHBondContact O-N 3.4Å; Q130-S132 VanDerWaalsContact O-N 3.13Å; S132-S136 PolarHBondContact O-N 2.96Å
133G91.6Very high92.4Very high3 Ų341.6 Ų41.63%0.03124%0.236CC..Hα-helixtrans-72.6-46.7177.600000111.4P90 Q130 L131 S136P90-G133 WeakPolarHBondContact O-CA 3.44Å; Q130-G133 PolarHBondContact O-N 3.46Å; L131-G133 PolarHBondContact O-N 3.25Å; G133-S136 WeakPolarHBondContact O-CB 3.41Å; G133-S136 PolarHBondContact O-N 3.03Å; G133-S136 PolarHBondContact O-OG 3.21Å
134I94.9Very high92.3Very high1 Ų142.6 Ų42.61%0.00524%0.242CC..Hα-helixtrans-66.8-40.8176.3-51.6-49.8000110.8A93 V97 F125 L126 Q130 L131 S136 M137 F141 F172A93-I134 HydrophobicContact CB-CD1 4.11Å; V97-I134 HydrophobicContact CB-CD1 4.33Å; V97-I134 HydrophobicContact CG2-CD1 3.73Å; F125-I134 HydrophobicContact CB-CD1 4.37Å; F125-I134 HydrophobicContact CB-CG1 3.89Å; F125-I134 HydrophobicContact CD2-CD1 4.34Å; L126-I134 HydrophobicContact CD2-CG2 4.37Å; Q130-I134 PolarHBondContact O-N 3.35Å; L131-I134 PolarHBondContact O-N 2.92Å; L131-I134 VanDerWaalsContact O-N 3.15Å; I134-S136 PolarHBondContact O-N 3.03Å; I134-M137 VanDerWaalsContact O-CB 3.28Å; I134-M137 WeakPolarHBondContact O-CB 3.38Å; I134-M137 PolarHBondContact O-N 2.96Å; I134-F141 HydrophobicContact CG2-CD1 4Å; I134-F141 HydrophobicContact CG2-CD2 3.45Å; I134-F141 VanDerWaalsContact CG2-CD2 3.45Å; I134-F141 HydrophobicContact CG2-CE1 4Å; I134-F141 HydrophobicContact CG2-CE2 3.45Å; I134-F141 VanDerWaalsContact CG2-CE2 3.45Å; I134-F141 HydrophobicContact CG2-CG 3.74Å; I134-F141 HydrophobicContact CG2-CZ 3.73Å; I134-F172 HydrophobicContact CB-CZ 4.42Å; I134-F172 HydrophobicContact CG2-CE1 4.3Å; I134-F172 HydrophobicContact CG2-CZ 3.85Å
135Q92.4Very high92.4Very high56 Ų5639.2 Ų39.226%0.26223%0.229SC..Hα-helixtrans-55.8-36.9174.2-79.7177.3-38.700112.4L131 M137 E138 E171 F172L131-Q135 HydrophobicContact CD1-CG 3.86Å; L131-Q135 HydrophobicContact CG-CG 3.99Å; L131-Q135 WeakPolarHBondContact O-CB 3.25Å; L131-Q135 WeakPolarHBondContact O-CG 3.32Å; L131-Q135 PolarHBondContact O-N 3.38Å; Q135-M137 PolarHBondContact O-N 3.41Å; Q135-E138 PolarHBondContact O-N 3.21Å; Q135-E171 PolarHBondContact NE2-O 3.39Å; Q135-E171 PolarHBondContact NE2-OE2 3.34Å; Q135-F172 HydrophobicContact CG-CE1 4.3Å; Q135-F172 HydrophobicContact CG-CE2 4.22Å; Q135-F172 HydrophobicContact CG-CZ 4Å
136S92.9Very high92.4Very high55 Ų5540 Ų4039%0.38523%0.233SC..THydrogen-bonded Turntrans-63.4-11.5178830000114.7K94 S132 G133 I134K94-S136 WeakPolarHBondContact CD-OG 3.4Å; K94-S136 PolarHBondContact NZ-OG 3.45Å; K94-S136 VanDerWaalsContact NZ-OG 3.1Å; S132-S136 PolarHBondContact O-N 2.96Å; G133-S136 WeakPolarHBondContact O-CB 3.41Å; G133-S136 PolarHBondContact O-N 3.03Å; G133-S136 PolarHBondContact O-OG 3.21Å; I134-S136 PolarHBondContact O-N 3.03Å
137M93.1Very high92.4Very high14 Ų1444.1 Ų44.17%0.06926%0.258CS..THydrogen-bonded Turntrans-85.6-16.1176-59.2175.967.600113.2K94 V97 Q98 I134 Q135 S139 N140 F141K94-M137 HydrophobicContact CB-SD 4.46Å; K94-M137 HydrophobicContact CD-CG 4.25Å; K94-M137 HydrophobicContact CG-CG 3.78Å; K94-M137 HydrophobicContact CG-SD 3.96Å; V97-M137 HydrophobicContact CB-SD 4.38Å; V97-M137 HydrophobicContact CG1-CE 4.07Å; V97-M137 HydrophobicContact CG1-SD 4.22Å; Q98-M137 HydrophobicContact CB-CE 3.88Å; Q98-M137 HydrophobicContact CG-CE 4.43Å; I134-M137 VanDerWaalsContact O-CB 3.28Å; I134-M137 WeakPolarHBondContact O-CB 3.38Å; I134-M137 PolarHBondContact O-N 2.96Å; Q135-M137 PolarHBondContact O-N 3.41Å; M137-S139 PolarHBondContact O-N 3.26Å; M137-N140 WeakPolarHBondContact O-CB 3.22Å; M137-N140 PolarHBondContact O-N 3.45Å; M137-N140 VanDerWaalsContact O-N 3.11Å; M137-F141 HydrophobicContact CB-CB 3.73Å; M137-F141 HydrophobicContact CE-CB 4.43Å; M137-F141 HydrophobicContact SD-CB 4.39Å; M137-F141 HydrophobicContact SD-CD2 4.48Å
138E92.5Very high92.6Very high128 Ų12840.8 Ų40.860%0.59824%0.239SC*.Hα-helixtrans43.5-122.9178.1-59.6-173.7152.700113.6Q135 N140 F141 I142Q135-E138 PolarHBondContact O-N 3.21Å; E138-N140 VanDerWaalsContact C-N 3.27Å; E138-N140 PolarHBondContact O-N 2.91Å; E138-F141 PolarHBondContact O-N 2.9Å; E138-I142 PolarHBondContact O-N 3.22Å
139S93.7Very high92.9Very high31 Ų3139.3 Ų39.322%0.21722%0.223CC..Hα-helixtrans-60.2-30.8-176.8-56.40000113.6M137 F141 I142 Q143 S174 E177M137-S139 PolarHBondContact O-N 3.26Å; S139-F141 VanDerWaalsContact C-N 3.34Å; S139-F141 PolarHBondContact O-N 3Å; S139-I142 PolarHBondContact O-N 2.89Å; S139-Q143 WeakPolarHBondContact O-CB 3.34Å; S139-Q143 PolarHBondContact O-N 2.9Å; S139-S174 PolarHBondContact N-OG 3.23Å; S139-S174 WeakPolarHBondContact OG-CB 3.1Å; S139-E177 PolarHBondContact OG-OE2 2.83Å
140N93.3Very high93.2Very high68 Ų6839 Ų3936%0.36422%0.215SC..Hα-helixtrans-66.2-37.4179.3-173.627.3000111.5M137 E138 N144M137-N140 WeakPolarHBondContact O-CB 3.22Å; M137-N140 PolarHBondContact O-N 3.45Å; M137-N140 VanDerWaalsContact O-N 3.11Å; E138-N140 VanDerWaalsContact C-N 3.27Å; E138-N140 PolarHBondContact O-N 2.91Å; N140-N144 PolarHBondContact O-N 3.45Å; N140-N144 PolarHBondContact O-ND2 3.38Å; N140-N144 PolarHBondContact OD1-ND2 3.34Å
141F95.1Very high93.1Very high4 Ų445.5 Ų45.52%0.01825%0.245CC..Hα-helixtrans-66.3-46.7174.4173.5-102.6000111.2V97 L122 L126 I134 M137 E138 S139 Q143 N144 Y145 V168 F172V97-F141 HydrophobicContact CG1-CD2 4.1Å; V97-F141 HydrophobicContact CG1-CE2 4.28Å; L122-F141 HydrophobicContact CD2-CE2 4.22Å; L126-F141 HydrophobicContact CD1-CZ 4.41Å; L126-F141 HydrophobicContact CD2-CE1 4.18Å; L126-F141 HydrophobicContact CD2-CZ 4.13Å; I134-F141 HydrophobicContact CG2-CD1 4Å; I134-F141 HydrophobicContact CG2-CD2 3.45Å; I134-F141 VanDerWaalsContact CG2-CD2 3.45Å; I134-F141 HydrophobicContact CG2-CE1 4Å; I134-F141 HydrophobicContact CG2-CE2 3.45Å; I134-F141 VanDerWaalsContact CG2-CE2 3.45Å; I134-F141 HydrophobicContact CG2-CG 3.74Å; I134-F141 HydrophobicContact CG2-CZ 3.73Å; M137-F141 HydrophobicContact CB-CB 3.73Å; M137-F141 HydrophobicContact CE-CB 4.43Å; M137-F141 HydrophobicContact SD-CB 4.39Å; M137-F141 HydrophobicContact SD-CD2 4.48Å; E138-F141 PolarHBondContact O-N 2.9Å; S139-F141 VanDerWaalsContact C-N 3.34Å; S139-F141 PolarHBondContact O-N 3Å; F141-Q143 PolarHBondContact O-N 3.17Å; F141-N144 PolarHBondContact O-N 3.19Å; F141-Y145 HydrophobicContact CE1-CG 4.46Å; F141-Y145 HydrophobicContact CZ-CD2 4.23Å; F141-Y145 HydrophobicContact CZ-CG 4.47Å; F141-Y145 WeakPolarHBondContact O-CB 3.44Å; F141-Y145 PolarHBondContact O-N 2.71Å; F141-V168 HydrophobicContact CE1-CG2 4.16Å; F141-F172 HydrophobicContact CB-CE1 4.36Å; F141-F172 HydrophobicContact CD1-CD1 4.14Å; F141-F172 AromaticContact CD1-CE1 3.5Å; F141-F172 HydrophobicContact CD1-CE1 3.5Å; F141-F172 VanDerWaalsContact CD1-CE1 3.5Å; F141-F172 HydrophobicContact CD1-CE2 4.44Å; F141-F172 AromaticContact CD1-CZ 3.69Å; F141-F172 HydrophobicContact CD1-CZ 3.69Å; F141-F172 HydrophobicContact CE1-CE1 4.12Å; F141-F172 HydrophobicContact CE1-CE2 4.29Å; F141-F172 AromaticContact CE1-CZ 3.83Å; F141-F172 HydrophobicContact CE1-CZ 3.83Å; F141-F172 HydrophobicContact CG-CE1 4.16Å
142I94.6Very high93.2Very high3 Ų344.7 Ų44.72%0.01524%0.241CC..Hα-helixtrans-61.7-45.3-177.6-62.8158.1000111.3E138 S139 N144 Y145 L146 V168 F172 S174 V175 F178E138-I142 PolarHBondContact O-N 3.22Å; S139-I142 PolarHBondContact O-N 2.89Å; I142-N144 PolarHBondContact O-N 3.29Å; I142-Y145 PolarHBondContact O-N 3.37Å; I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.3Å; I142-L146 WeakPolarHBondContact O-CG 3.49Å; I142-L146 PolarHBondContact O-N 3.27Å; I142-V168 HydrophobicContact CG1-CG1 4.45Å; I142-F172 HydrophobicContact CD1-CB 4.04Å; I142-F172 HydrophobicContact CG1-CB 4.46Å; I142-F172 HydrophobicContact CG1-CD1 4.47Å; I142-S174 WeakPolarHBondContact CD1-OG 3.35Å; I142-V175 HydrophobicContact CD1-CB 4.12Å; I142-F178 HydrophobicContact CB-CD2 4.03Å; I142-F178 HydrophobicContact CB-CE2 4.2Å; I142-F178 HydrophobicContact CD1-CD2 4.25Å; I142-F178 HydrophobicContact CD1-CE2 4.48Å; I142-F178 HydrophobicContact CG2-CB 3.85Å; I142-F178 HydrophobicContact CG2-CD1 4.4Å; I142-F178 HydrophobicContact CG2-CD2 3.54Å; I142-F178 HydrophobicContact CG2-CE2 4.18Å; I142-F178 HydrophobicContact CG2-CG 3.67Å
143Q94.2Very high93.3Very high111 Ų11149 Ų4952%0.51925%0.251SS..Hα-helixtrans-58.5-47178.8-175.8179.2-7.900111.6S139 F141 V147 F178S139-Q143 WeakPolarHBondContact O-CB 3.34Å; S139-Q143 PolarHBondContact O-N 2.9Å; F141-Q143 PolarHBondContact O-N 3.17Å; Q143-V147 WeakPolarHBondContact O-CG2 3.28Å; Q143-V147 PolarHBondContact O-N 3.35Å; Q143-F178 HydrophobicContact CB-CE1 4.08Å; Q143-F178 HydrophobicContact CB-CZ 4.24Å
144N93.2Very high93.2Very high46 Ų4650 Ų5025%0.24626%0.255CS..Hα-helixtrans-70.8-34.7178.5-67.9-46.6000112.4C102 N140 F141 I142 V147 A148C102-N144 HydrophobicContact CB-CB 4.21Å; C102-N144 VanDerWaalsContact SG-CB 3.52Å; N140-N144 PolarHBondContact O-N 3.45Å; N140-N144 PolarHBondContact O-ND2 3.38Å; N140-N144 PolarHBondContact OD1-ND2 3.34Å; F141-N144 PolarHBondContact O-N 3.19Å; I142-N144 PolarHBondContact O-N 3.29Å; N144-V147 PolarHBondContact O-N 2.87Å; N144-A148 WeakPolarHBondContact O-CB 3.21Å; N144-A148 PolarHBondContact O-N 3.13Å
145Y94.7Very high93Very high5 Ų551.5 Ų51.52%0.0227%0.265CS..Hα-helixtrans-64.1-44175.9175.4-101.1000111.6F141 I142 V147 A148 I149 M164 N165 V168F141-Y145 HydrophobicContact CE1-CG 4.46Å; F141-Y145 HydrophobicContact CZ-CD2 4.23Å; F141-Y145 HydrophobicContact CZ-CG 4.47Å; F141-Y145 WeakPolarHBondContact O-CB 3.44Å; F141-Y145 PolarHBondContact O-N 2.71Å; I142-Y145 PolarHBondContact O-N 3.37Å; Y145-V147 PolarHBondContact O-N 3.06Å; Y145-A148 VanDerWaalsContact O-CB 3.29Å; Y145-A148 WeakPolarHBondContact O-CB 3.34Å; Y145-A148 PolarHBondContact O-N 3.23Å; Y145-I149 HydrophobicContact CD1-CD1 4.34Å; Y145-I149 HydrophobicContact CD2-CG2 4.3Å; Y145-I149 HydrophobicContact CE1-CD1 3.8Å; Y145-I149 HydrophobicContact CE1-CG2 4.17Å; Y145-I149 HydrophobicContact CE2-CG2 3.81Å; Y145-I149 WeakPolarHBondContact O-CG1 3.29Å; Y145-I149 PolarHBondContact O-N 3.43Å; Y145-M164 HydrophobicContact CE2-CB 4.45Å; Y145-M164 HydrophobicContact CE2-CE 4.35Å; Y145-M164 WeakPolarHBondContact OH-CB 3.32Å; Y145-N165 WeakPolarHBondContact CE1-OD1 3.47Å; Y145-N165 PolarHBondContact OH-OD1 2.84Å; Y145-V168 HydrophobicContact CE1-CG2 4.28Å
146L94.2Very high93Very high17 Ų1751.2 Ų51.29%0.08926%0.264CS..Hα-helixtrans-60.4-45.2176-75.6173.1000111.9I142 A148 I149 D150 F178 E181 L182I142-L146 HydrophobicContact CG2-CD1 3.99Å; I142-L146 HydrophobicContact CG2-CG 4.3Å; I142-L146 WeakPolarHBondContact O-CG 3.49Å; I142-L146 PolarHBondContact O-N 3.27Å; L146-A148 PolarHBondContact O-N 2.93Å; L146-I149 HydrophobicContact CD2-CD1 4.17Å; L146-I149 WeakPolarHBondContact O-CG1 3.41Å; L146-I149 PolarHBondContact O-N 2.86Å; L146-D150 WeakPolarHBondContact O-CB 3.28Å; L146-D150 PolarHBondContact O-N 2.67Å; L146-D150 VanDerWaalsContact O-N 3.17Å; L146-F178 HydrophobicContact CD1-CB 3.76Å; L146-F178 HydrophobicContact CD1-CD1 4.05Å; L146-F178 HydrophobicContact CD1-CG 4.17Å; L146-E181 HydrophobicContact CD1-CB 4.09Å; L146-L182 HydrophobicContact CD2-CB 4Å; L146-L182 HydrophobicContact CD2-CD1 3.62Å; L146-L182 HydrophobicContact CD2-CG 4.42Å
147V93Very high93Very high91 Ų9148.6 Ų48.655%0.55225%0.245SC*.Hα-helixtrans-60.8-34.4173.8174.10000111.6Q108 Q143 N144 Y145Q108-V147 PolarHBondContact NE2-O 2.69Å; Q143-V147 WeakPolarHBondContact O-CG2 3.28Å; Q143-V147 PolarHBondContact O-N 3.35Å; N144-V147 PolarHBondContact O-N 2.87Å; Y145-V147 PolarHBondContact O-N 3.06Å
148A92.8Very high93.1Very high8 Ų848.5 Ų48.57%0.06625%0.245CC..Hα-helixtrans-69.2-41.9179.700000113.2I107 F119 N144 Y145 L146I107-A148 HydrophobicContact CB-CB 4.45Å; I107-A148 HydrophobicContact CD1-CB 3.41Å; I107-A148 VanDerWaalsContact CD1-CB 3.41Å; F119-A148 HydrophobicContact CE1-CB 4.32Å; F119-A148 HydrophobicContact CZ-CB 4.45Å; F119-A148 WeakPolarHBondContact CZ-O 3.49Å; N144-A148 WeakPolarHBondContact O-CB 3.21Å; N144-A148 PolarHBondContact O-N 3.13Å; Y145-A148 VanDerWaalsContact O-CB 3.29Å; Y145-A148 WeakPolarHBondContact O-CB 3.34Å; Y145-A148 PolarHBondContact O-N 3.23Å; L146-A148 PolarHBondContact O-N 2.93Å
149I94.5Very high93.1Very high2 Ų243.7 Ų43.71%0.0122%0.223CC..Hα-helixtrans-85.1-16.8-174.163.7169.5000113.8F119 Y145 L146 E152 I161 L182 T185 I186F119-I149 HydrophobicContact CE1-CG2 3.61Å; F119-I149 HydrophobicContact CZ-CG2 4.08Å; Y145-I149 HydrophobicContact CD1-CD1 4.34Å; Y145-I149 HydrophobicContact CD2-CG2 4.3Å; Y145-I149 HydrophobicContact CE1-CD1 3.8Å; Y145-I149 HydrophobicContact CE1-CG2 4.17Å; Y145-I149 HydrophobicContact CE2-CG2 3.81Å; Y145-I149 WeakPolarHBondContact O-CG1 3.29Å; Y145-I149 PolarHBondContact O-N 3.43Å; L146-I149 HydrophobicContact CD2-CD1 4.17Å; L146-I149 WeakPolarHBondContact O-CG1 3.41Å; L146-I149 PolarHBondContact O-N 2.86Å; I149-E152 PolarHBondContact O-N 3.06Å; I149-I161 HydrophobicContact CB-CD1 3.99Å; I149-I161 HydrophobicContact CB-CG1 4.43Å; I149-I161 HydrophobicContact CB-CG2 4.1Å; I149-I161 HydrophobicContact CD1-CG2 4.26Å; I149-I161 HydrophobicContact CG2-CD1 3.89Å; I149-I161 HydrophobicContact CG2-CG1 3.85Å; I149-I161 HydrophobicContact CG2-CG2 3.9Å; I149-L182 HydrophobicContact CD1-CD1 4.4Å; I149-T185 HydrophobicContact CD1-CG2 3.92Å; I149-T185 HydrophobicContact CG1-CG2 3.94Å; I149-I186 HydrophobicContact CD1-CD1 4.31Å
150D92.1Very high93.1Very high73 Ų7343.3 Ų43.339%0.3922%0.218SC..THydrogen-bonded Turntrans-58.9138.2-175.2-172.337.8000112.6Q108 L146 E152Q108-D150 PolarHBondContact NE2-O 2.95Å; L146-D150 WeakPolarHBondContact O-CB 3.28Å; L146-D150 PolarHBondContact O-N 2.67Å; L146-D150 VanDerWaalsContact O-N 3.17Å; D150-E152 PolarHBondContact O-N 3.36Å
151E89.8Confident93.2Very high139 Ų13940.1 Ų40.165%0.6520%0.201SC*.THydrogen-bonded Turntrans54.617.6-175-57.2-165.8161.300117.8
152E94.1Very high93.2Very high13 Ų1340 Ų406%0.06120%0.2CC..  trans-64.9143.7177.9-176.257-99.100112.1R115 I149 D150 D154 I157 L158 I161 Y189R115-E152 IonicContact CZ-OE1 2.91Å; R115-E152 IonicContact CZ-OE2 3.6Å; R115-E152 IonicContact NE-OE1 2.64Å; R115-E152 IonicContact NE-OE2 2.76Å; R115-E152 PolarHBondContact NE-OE2 3.49Å; R115-E152 IonicContact NH2-OE1 2.74Å; R115-E152 PolarHBondContact NH2-OE1 3.33Å; R115-E152 VanDerWaalsContact NH2-OE1 3.13Å; R115-E152 IonicContact NH2-OE2 2.71Å; R115-E152 PolarHBondContact NH2-OE2 3.19Å; I149-E152 PolarHBondContact O-N 3.06Å; D150-E152 PolarHBondContact O-N 3.36Å; E152-D154 PolarHBondContact OE1-N 3.07Å; E152-I157 HydrophobicContact CG-CB 3.97Å; E152-I157 HydrophobicContact CG-CG2 3.64Å; E152-L158 HydrophobicContact CB-CD2 4.34Å; E152-L158 HydrophobicContact CG-CD2 4.38Å; E152-I161 HydrophobicContact CB-CD1 3.92Å; E152-I161 HydrophobicContact CG-CD1 3.9Å; E152-Y189 PolarHBondContact N-OH 3.07Å; E152-Y189 WeakPolarHBondContact O-CE1 3.33Å; E152-Y189 PolarHBondContact O-OH 3.37Å
153K91.8Very high93Very high161 Ų16141.7 Ų41.770%0.721%0.207SC*.  trans-129.8-16.7-173.6-66.8172.8-170.8170.90113.5
154D91.4Very high93Very high23 Ų2336.4 Ų36.412%0.12318%0.182CC..  trans-72.3125-178.7-175.3-88.7000111K112 E152 Q156 I157 L158K112-D154 WeakPolarHBondContact CD-OD2 3.47Å; K112-D154 WeakPolarHBondContact CE-OD2 3.37Å; K112-D154 IonicContact NZ-OD1 3.87Å; K112-D154 IonicContact NZ-OD2 2.86Å; K112-D154 PolarHBondContact NZ-OD2 3.24Å; E152-D154 PolarHBondContact OE1-N 3.07Å; D154-Q156 VanDerWaalsContact C-N 3.28Å; D154-Q156 PolarHBondContact O-N 2.96Å; D154-Q156 VanDerWaalsContact OD1-CB 3.26Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.21Å; D154-Q156 PolarHBondContact OD1-N 3.17Å; D154-I157 HydrophobicContact CB-CB 4.16Å; D154-I157 HydrophobicContact CB-CD1 3.94Å; D154-I157 HydrophobicContact CB-CG1 3.99Å; D154-I157 PolarHBondContact O-N 3.44Å; D154-I157 VanDerWaalsContact O-N 3.12Å; D154-I157 PolarHBondContact OD1-N 3.01Å; D154-L158 WeakPolarHBondContact O-CG 3.5Å; D154-L158 PolarHBondContact O-N 2.95Å
155P90.7Very high93Very high33 Ų3334.2 Ų34.221%0.21417%0.17CC..Hα-helixtrans-64-30.2-174.425.2-35.4000113.2H159 F194 V205 L210P155-H159 PolarHBondContact O-N 2.99Å; P155-H159 VanDerWaalsContact O-N 3.15Å; P155-F194 HydrophobicContact CB-CD2 4.35Å; P155-F194 HydrophobicContact CB-CE1 4.47Å; P155-F194 HydrophobicContact CB-CE2 3.9Å; P155-F194 HydrophobicContact CB-CZ 3.95Å; P155-F194 HydrophobicContact CG-CE2 3.8Å; P155-F194 HydrophobicContact CG-CZ 3.9Å; P155-V205 HydrophobicContact CB-CG1 4.04Å; P155-L210 HydrophobicContact CB-CD1 3.82Å; P155-L210 WeakPolarHBondContact O-CD2 3.36Å
156Q91.2Very high92.9Very high50 Ų5034.1 Ų34.123%0.23417%0.17CC..Hα-helixtrans-71.5-38177.3-176178.8-3.200111.2L116 D154 L160 S203 V205L116-Q156 HydrophobicContact CD1-CG 3.98Å; D154-Q156 VanDerWaalsContact C-N 3.28Å; D154-Q156 PolarHBondContact O-N 2.96Å; D154-Q156 VanDerWaalsContact OD1-CB 3.26Å; D154-Q156 WeakPolarHBondContact OD1-CB 3.21Å; D154-Q156 PolarHBondContact OD1-N 3.17Å; Q156-L160 PolarHBondContact O-N 3.24Å; Q156-S203 PolarHBondContact OE1-OG 3.07Å; Q156-V205 HydrophobicContact CB-CG2 4.28Å
157I93.7Very high92.7Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-72-43.8176.7-58.8179.5000110.4R115 L116 F119 E152 D154 H159 L160 I161R115-I157 HydrophobicContact CB-CD1 3.76Å; L116-I157 HydrophobicContact CB-CD1 4.25Å; L116-I157 HydrophobicContact CB-CG1 4.21Å; L116-I157 HydrophobicContact CD1-CG1 4.03Å; F119-I157 HydrophobicContact CB-CG2 4.4Å; F119-I157 HydrophobicContact CD2-CB 4.49Å; F119-I157 HydrophobicContact CD2-CG2 3.15Å; F119-I157 HydrophobicContact CE2-CG2 3.45Å; F119-I157 VanDerWaalsContact CE2-CG2 3.45Å; F119-I157 HydrophobicContact CG-CG2 3.92Å; F119-I157 HydrophobicContact CZ-CG2 4.41Å; E152-I157 HydrophobicContact CG-CB 3.97Å; E152-I157 HydrophobicContact CG-CG2 3.64Å; D154-I157 HydrophobicContact CB-CB 4.16Å; D154-I157 HydrophobicContact CB-CD1 3.94Å; D154-I157 HydrophobicContact CB-CG1 3.99Å; D154-I157 PolarHBondContact O-N 3.44Å; D154-I157 VanDerWaalsContact O-N 3.12Å; D154-I157 PolarHBondContact OD1-N 3.01Å; I157-H159 VanDerWaalsContact C-N 3.29Å; I157-H159 PolarHBondContact O-N 2.92Å; I157-L160 WeakPolarHBondContact O-CA 2.97Å; I157-L160 WeakPolarHBondContact O-CB 3.4Å; I157-L160 PolarHBondContact O-N 3.07Å; I157-I161 HydrophobicContact CG2-CD1 3.74Å; I157-I161 HydrophobicContact CG2-CG1 4.17Å; I157-I161 WeakPolarHBondContact O-CG1 3.23Å; I157-I161 PolarHBondContact O-N 2.9Å
158L95Very high92.7Very high13 Ų1329.9 Ų29.97%0.06814%0.144CC..Hα-helixtrans-56.4-42.2177-74.1174.6000112.4E152 D154 L160 I161 F162 Y189 L210E152-L158 HydrophobicContact CB-CD2 4.34Å; E152-L158 HydrophobicContact CG-CD2 4.38Å; D154-L158 WeakPolarHBondContact O-CG 3.5Å; D154-L158 PolarHBondContact O-N 2.95Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 3.38Å; L158-I161 PolarHBondContact O-N 3.01Å; L158-F162 HydrophobicContact CB-CE2 4.16Å; L158-F162 HydrophobicContact CB-CZ 4.23Å; L158-F162 HydrophobicContact CD2-CE1 4.49Å; L158-F162 HydrophobicContact CD2-CZ 4.25Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 2.9Å; L158-F162 VanDerWaalsContact O-CG 3.23Å; L158-F162 WeakPolarHBondContact O-CG 2.97Å; L158-F162 PolarHBondContact O-N 2.97Å; L158-Y189 HydrophobicContact CD1-CD1 4.1Å; L158-Y189 HydrophobicContact CD1-CE1 3.92Å; L158-Y189 HydrophobicContact CD2-CD1 4.16Å; L158-Y189 HydrophobicContact CD2-CD2 4.49Å; L158-Y189 HydrophobicContact CD2-CE1 3.57Å; L158-Y189 HydrophobicContact CD2-CE2 3.97Å; L158-Y189 VanDerWaalsContact CD2-CZ 3.48Å; L158-Y189 HydrophobicContact CG-CE1 4.42Å; L158-L210 HydrophobicContact CB-CD2 4.18Å
159H92.6Very high92.6Very high27 Ų2730.5 Ų30.513%0.12515%0.147CC..Hα-helixtrans-58.3-44.2174.517761000112.3P155 I157 R163 L210 S213P155-H159 PolarHBondContact O-N 2.99Å; P155-H159 VanDerWaalsContact O-N 3.15Å; I157-H159 VanDerWaalsContact C-N 3.29Å; I157-H159 PolarHBondContact O-N 2.92Å; H159-R163 WeakPolarHBondContact NE2-CD 3.41Å; H159-R163 VanDerWaalsContact O-CG 3.29Å; H159-R163 WeakPolarHBondContact O-CG 3.38Å; H159-R163 PolarHBondContact O-N 3.28Å; H159-L210 HydrophobicContact CB-CD2 4.02Å; H159-S213 PolarHBondContact CE1-OG 2.97Å; H159-S213 PolarHBondContact ND1-OG 3.23Å
160L92.8Very high92.3Very high22 Ų2235 Ų3512%0.11517%0.166CC..Hα-helixtrans-64.2-43.1175.4-70.3171.9000111.5L116 F119 Q120 Q156 I157 L158 R163 M164L116-L160 HydrophobicContact CD1-CD1 3.79Å; F119-L160 HydrophobicContact CB-CD1 4.45Å; Q120-L160 HydrophobicContact CG-CD1 3.85Å; Q156-L160 PolarHBondContact O-N 3.24Å; I157-L160 WeakPolarHBondContact O-CA 2.97Å; I157-L160 WeakPolarHBondContact O-CB 3.4Å; I157-L160 PolarHBondContact O-N 3.07Å; L158-L160 VanDerWaalsContact C-N 3.33Å; L158-L160 PolarHBondContact O-N 3.38Å; L160-R163 PolarHBondContact O-N 2.76Å; L160-M164 HydrophobicContact CB-CE 4.32Å; L160-M164 WeakPolarHBondContact O-CG 3.22Å; L160-M164 PolarHBondContact O-N 2.79Å
161I95.4Very high92.2Very high2 Ų234.2 Ų34.21%0.0116%0.16CC..Hα-helixtrans-59.7-50178.9-70170.6000110.7F119 I149 E152 I157 L158 R163 M164 N165 I186F119-I161 HydrophobicContact CD1-CG1 4.21Å; F119-I161 HydrophobicContact CE1-CD1 4.24Å; F119-I161 HydrophobicContact CE1-CG1 4.13Å; F119-I161 HydrophobicContact CE2-CD1 4.27Å; F119-I161 HydrophobicContact CZ-CD1 3.99Å; F119-I161 HydrophobicContact CZ-CG1 4.37Å; I149-I161 HydrophobicContact CB-CD1 3.99Å; I149-I161 HydrophobicContact CB-CG1 4.43Å; I149-I161 HydrophobicContact CB-CG2 4.1Å; I149-I161 HydrophobicContact CD1-CG2 4.26Å; I149-I161 HydrophobicContact CG2-CD1 3.89Å; I149-I161 HydrophobicContact CG2-CG1 3.85Å; I149-I161 HydrophobicContact CG2-CG2 3.9Å; E152-I161 HydrophobicContact CB-CD1 3.92Å; E152-I161 HydrophobicContact CG-CD1 3.9Å; I157-I161 HydrophobicContact CG2-CD1 3.74Å; I157-I161 HydrophobicContact CG2-CG1 4.17Å; I157-I161 WeakPolarHBondContact O-CG1 3.23Å; I157-I161 PolarHBondContact O-N 2.9Å; L158-I161 PolarHBondContact O-N 3.01Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.12Å; I161-M164 HydrophobicContact CG1-CE 4.2Å; I161-M164 PolarHBondContact O-N 3.4Å; I161-M164 VanDerWaalsContact O-N 3.14Å; I161-N165 PolarHBondContact O-N 2.82Å; I161-N165 PolarHBondContact O-ND2 3.29Å; I161-I186 HydrophobicContact CG2-CD1 4.34Å
162F94.8Very high92.3Very high0 Ų027.7 Ų27.70%013%0.129CC..Hα-helixtrans-59.5-38.5179.5-61.2-28000112.2L158 V166 I186 Y189 I192 L210 L214L158-F162 HydrophobicContact CB-CE2 4.16Å; L158-F162 HydrophobicContact CB-CZ 4.23Å; L158-F162 HydrophobicContact CD2-CE1 4.49Å; L158-F162 HydrophobicContact CD2-CZ 4.25Å; L158-F162 VanDerWaalsContact O-CD2 3.32Å; L158-F162 WeakPolarHBondContact O-CD2 2.9Å; L158-F162 VanDerWaalsContact O-CG 3.23Å; L158-F162 WeakPolarHBondContact O-CG 2.97Å; L158-F162 PolarHBondContact O-N 2.97Å; F162-V166 PolarHBondContact O-N 2.92Å; F162-I186 HydrophobicContact CD1-CD1 4.41Å; F162-I186 HydrophobicContact CE1-CD1 4.35Å; F162-I186 HydrophobicContact CE1-CG2 4.48Å; F162-Y189 AromaticContact CE1-CD2 3.8Å; F162-Y189 HydrophobicContact CE1-CD2 3.8Å; F162-Y189 HydrophobicContact CE1-CE2 4.38Å; F162-Y189 HydrophobicContact CE1-CG 4.26Å; F162-Y189 AromaticContact CZ-CD2 3.9Å; F162-Y189 HydrophobicContact CZ-CD2 3.9Å; F162-Y189 AromaticContact CZ-CG 3.87Å; F162-Y189 HydrophobicContact CZ-CG 3.87Å; F162-I192 HydrophobicContact CE2-CD1 4.35Å; F162-L210 HydrophobicContact CE2-CD2 4.3Å; F162-L214 HydrophobicContact CD1-CD1 4.1Å; F162-L214 HydrophobicContact CD2-CB 3.94Å; F162-L214 HydrophobicContact CE1-CD1 3.78Å; F162-L214 HydrophobicContact CE2-CB 3.85Å; F162-L214 HydrophobicContact CE2-CD1 4.4Å; F162-L214 HydrophobicContact CG-CB 4.4Å; F162-L214 HydrophobicContact CZ-CB 4.24Å; F162-L214 HydrophobicContact CZ-CD1 3.94Å; F162-L214 HydrophobicContact CZ-CG 4.47Å
163R91.3Very high92.1Very high40 Ų4032.4 Ų32.415%0.15116%0.161CC..Hα-helixtrans-66.3-45.6174.7-69.8172.663.113011.8112.4H159 L160 I161 N165 V166 D266 I269H159-R163 WeakPolarHBondContact NE2-CD 3.41Å; H159-R163 VanDerWaalsContact O-CG 3.29Å; H159-R163 WeakPolarHBondContact O-CG 3.38Å; H159-R163 PolarHBondContact O-N 3.28Å; L160-R163 PolarHBondContact O-N 2.76Å; I161-R163 VanDerWaalsContact C-N 3.26Å; I161-R163 PolarHBondContact O-N 3.12Å; R163-N165 VanDerWaalsContact C-N 3.3Å; R163-N165 PolarHBondContact O-N 2.88Å; R163-V166 PolarHBondContact O-N 3.11Å; R163-D266 IonicContact CZ-OD2 2.65Å; R163-D266 IonicContact NH1-OD2 3.62Å; R163-D266 PolarHBondContact NH1-OD2 3.4Å; R163-D266 IonicContact NH2-OD1 2.84Å; R163-D266 IonicContact NH2-OD2 3.94Å; R163-D266 PolarHBondContact NH2-OD2 3.17Å; R163-I269 HydrophobicContact CB-CD1 3.76Å; R163-I269 HydrophobicContact CG-CD1 3.6Å
164M93.8Very high92Very high0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-63.3-37.8177.9-73.7-175.7-63.100111.5F119 L122 H123 L126 Y145 L160 I161 V166 I167 V168F119-M164 HydrophobicContact CB-CE 4.03Å; F119-M164 HydrophobicContact CD1-CE 3.66Å; F119-M164 HydrophobicContact CG-CE 4.23Å; L122-M164 HydrophobicContact CB-SD 3.88Å; H123-M164 HydrophobicContact CB-CG 4.03Å; H123-M164 HydrophobicContact CB-SD 3.8Å; H123-M164 PolarHBondContact N-SD 2.71Å; L126-M164 HydrophobicContact CD1-CB 3.88Å; L126-M164 HydrophobicContact CD1-CG 3.82Å; L126-M164 HydrophobicContact CD1-SD 4.03Å; Y145-M164 HydrophobicContact CE2-CB 4.45Å; Y145-M164 HydrophobicContact CE2-CE 4.35Å; Y145-M164 WeakPolarHBondContact OH-CB 3.32Å; L160-M164 HydrophobicContact CB-CE 4.32Å; L160-M164 WeakPolarHBondContact O-CG 3.22Å; L160-M164 PolarHBondContact O-N 2.79Å; I161-M164 HydrophobicContact CG1-CE 4.2Å; I161-M164 PolarHBondContact O-N 3.4Å; I161-M164 VanDerWaalsContact O-N 3.14Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-V166 PolarHBondContact O-N 3.03Å; M164-I167 WeakPolarHBondContact O-CA 3.48Å; M164-I167 WeakPolarHBondContact O-CB 3.25Å; M164-I167 PolarHBondContact O-N 2.73Å; M164-V168 WeakPolarHBondContact O-CG2 3.41Å; M164-V168 PolarHBondContact O-N 2.91Å
165N93.6Very high92.1Very high0 Ų024.6 Ų24.60%013%0.128CC..Hα-helixtrans-59.8-39.8178.1-70.1-24.7000113Y145 I161 R163 I167 V168 L169 I186 C217Y145-N165 WeakPolarHBondContact CE1-OD1 3.47Å; Y145-N165 PolarHBondContact OH-OD1 2.84Å; I161-N165 PolarHBondContact O-N 2.82Å; I161-N165 PolarHBondContact O-ND2 3.29Å; R163-N165 VanDerWaalsContact C-N 3.3Å; R163-N165 PolarHBondContact O-N 2.88Å; N165-I167 VanDerWaalsContact C-N 3.25Å; N165-I167 PolarHBondContact O-N 3.22Å; N165-V168 PolarHBondContact O-N 2.64Å; N165-L169 WeakPolarHBondContact O-CB 3.4Å; N165-L169 WeakPolarHBondContact O-CD1 3.43Å; N165-L169 VanDerWaalsContact O-CG 3.22Å; N165-L169 WeakPolarHBondContact O-CG 3.31Å; N165-L169 PolarHBondContact O-N 3.4Å; N165-I186 WeakPolarHBondContact ND2-CD1 3.47Å; N165-C217 WeakPolarHBondContact CB-SG 3.47Å
166V91.8Very high92.1Very high2 Ų226.8 Ų26.81%0.01214%0.141CC..Hα-helixtrans-60-39.8175.7175.80000111F162 R163 M164 K170 Q216 C217 I269 V272 L273F162-V166 PolarHBondContact O-N 2.92Å; R163-V166 PolarHBondContact O-N 3.11Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-V166 PolarHBondContact O-N 3.03Å; V166-K170 PolarHBondContact O-N 3.04Å; V166-Q216 HydrophobicContact CG2-CB 4.26Å; V166-C217 HydrophobicContact CG2-CB 4.37Å; V166-I269 HydrophobicContact CB-CG2 4.38Å; V166-I269 HydrophobicContact CG1-CG2 3.89Å; V166-V272 HydrophobicContact CG1-CG1 4.2Å; V166-L273 HydrophobicContact CG1-CD1 4.28Å; V166-L273 HydrophobicContact CG1-CD2 3.69Å; V166-L273 HydrophobicContact CG1-CG 3.94Å
167I91.3Very high92.1Very high18 Ų1830.9 Ų30.99%0.09216%0.16CC..Hα-helixtrans-68.4-48.9176.2-56.4169.4000109.9L126 T127 M164 N165 L169 K170 E171L126-I167 HydrophobicContact CB-CD1 4.25Å; L126-I167 HydrophobicContact CB-CG2 4.18Å; T127-I167 HydrophobicContact CG2-CD1 3.45Å; T127-I167 VanDerWaalsContact CG2-CD1 3.45Å; M164-I167 WeakPolarHBondContact O-CA 3.48Å; M164-I167 WeakPolarHBondContact O-CB 3.25Å; M164-I167 PolarHBondContact O-N 2.73Å; N165-I167 VanDerWaalsContact C-N 3.25Å; N165-I167 PolarHBondContact O-N 3.22Å; I167-L169 VanDerWaalsContact C-N 3.31Å; I167-L169 PolarHBondContact O-N 2.99Å; I167-K170 PolarHBondContact O-N 2.95Å; I167-K170 VanDerWaalsContact O-N 3.13Å; I167-E171 HydrophobicContact CG2-CB 4.31Å; I167-E171 HydrophobicContact CG2-CG 3.77Å; I167-E171 VanDerWaalsContact O-CB 3.26Å; I167-E171 WeakPolarHBondContact O-CB 3.4Å; I167-E171 WeakPolarHBondContact O-CG 3.33Å; I167-E171 PolarHBondContact O-N 3.19Å
168V92.7Very high92.1Very high1 Ų132.3 Ų32.31%0.00617%0.166CC..Hα-helixtrans-57.3-44.7-179.6172.80000111.2L126 F141 I142 Y145 M164 N165 K170 F172 V175L126-V168 HydrophobicContact CD1-CG2 4.11Å; F141-V168 HydrophobicContact CE1-CG2 4.16Å; I142-V168 HydrophobicContact CG1-CG1 4.45Å; Y145-V168 HydrophobicContact CE1-CG2 4.28Å; M164-V168 WeakPolarHBondContact O-CG2 3.41Å; M164-V168 PolarHBondContact O-N 2.91Å; N165-V168 PolarHBondContact O-N 2.64Å; V168-K170 VanDerWaalsContact C-N 3.26Å; V168-K170 PolarHBondContact O-N 2.87Å; V168-F172 HydrophobicContact CB-CD2 4.44Å; V168-F172 HydrophobicContact CG1-CD2 4.32Å; V168-F172 WeakPolarHBondContact O-CB 3.24Å; V168-F172 PolarHBondContact O-N 3.41Å; V168-F172 VanDerWaalsContact O-N 3.12Å; V168-V175 HydrophobicContact CG1-CG2 4.29Å
169L91.1Very high92Very high22 Ų2234.6 Ų34.612%0.11518%0.176CC..Hα-helixtrans-60.2-34.1179.1-77.3163.3000113.6N165 I167 V175 L182 A220 M221 I224N165-L169 WeakPolarHBondContact O-CB 3.4Å; N165-L169 WeakPolarHBondContact O-CD1 3.43Å; N165-L169 VanDerWaalsContact O-CG 3.22Å; N165-L169 WeakPolarHBondContact O-CG 3.31Å; N165-L169 PolarHBondContact O-N 3.4Å; I167-L169 VanDerWaalsContact C-N 3.31Å; I167-L169 PolarHBondContact O-N 2.99Å; L169-V175 HydrophobicContact CD2-CG1 4.39Å; L169-V175 HydrophobicContact CD2-CG2 4.14Å; L169-L182 HydrophobicContact CD2-CD2 3.61Å; L169-L182 HydrophobicContact CG-CD2 4.05Å; L169-A220 HydrophobicContact CD1-CB 3.86Å; L169-M221 HydrophobicContact CD1-CG 3.33Å; L169-M221 HydrophobicContact CD1-SD 4.36Å; L169-M221 HydrophobicContact CD2-CG 3.95Å; L169-M221 HydrophobicContact CG-CG 4.29Å; L169-I224 HydrophobicContact CD2-CD1 4.33Å
170K87.5Confident92Very high97 Ų9736 Ų3642%0.42218%0.184SC..Hα-helixtrans-87.7-45.9-178.8-179.8-175.1170.9-170.80112.5V166 I167 V168 V272V166-K170 PolarHBondContact O-N 3.04Å; I167-K170 PolarHBondContact O-N 2.95Å; I167-K170 VanDerWaalsContact O-N 3.13Å; V168-K170 VanDerWaalsContact C-N 3.26Å; V168-K170 PolarHBondContact O-N 2.87Å; K170-V272 HydrophobicContact CD-CG1 3.43Å; K170-V272 VanDerWaalsContact CD-CG1 3.43Å
171E89.7Confident92Very high55 Ų5539.5 Ų39.526%0.25720%0.2SC..Hα-helixtrans-87.7-11.4-166-65.1-57146.700112.7L131 Q135 I167L131-E171 HydrophobicContact CD1-CB 4.32Å; L131-E171 HydrophobicContact CD2-CB 4.44Å; L131-E171 HydrophobicContact CD2-CG 3.97Å; Q135-E171 PolarHBondContact NE2-O 3.39Å; Q135-E171 PolarHBondContact NE2-OE2 3.34Å; I167-E171 HydrophobicContact CG2-CB 4.31Å; I167-E171 HydrophobicContact CG2-CG 3.77Å; I167-E171 VanDerWaalsContact O-CB 3.26Å; I167-E171 WeakPolarHBondContact O-CB 3.4Å; I167-E171 WeakPolarHBondContact O-CG 3.33Å; I167-E171 PolarHBondContact O-N 3.19Å
172F92.4Very high92Very high3 Ų339.6 Ų39.61%0.01320%0.2CC..  trans-122.997.5-179.4-64.1-106.3000111.5L126 L131 I134 Q135 F141 I142 V168 S174 V175L126-F172 HydrophobicContact CD2-CE2 3.77Å; L126-F172 HydrophobicContact CD2-CZ 4.01Å; L131-F172 HydrophobicContact CD1-CE2 4.24Å; I134-F172 HydrophobicContact CB-CZ 4.42Å; I134-F172 HydrophobicContact CG2-CE1 4.3Å; I134-F172 HydrophobicContact CG2-CZ 3.85Å; Q135-F172 HydrophobicContact CG-CE1 4.3Å; Q135-F172 HydrophobicContact CG-CE2 4.22Å; Q135-F172 HydrophobicContact CG-CZ 4Å; F141-F172 HydrophobicContact CB-CE1 4.36Å; F141-F172 HydrophobicContact CD1-CD1 4.14Å; F141-F172 AromaticContact CD1-CE1 3.5Å; F141-F172 HydrophobicContact CD1-CE1 3.5Å; F141-F172 VanDerWaalsContact CD1-CE1 3.5Å; F141-F172 HydrophobicContact CD1-CE2 4.44Å; F141-F172 AromaticContact CD1-CZ 3.69Å; F141-F172 HydrophobicContact CD1-CZ 3.69Å; F141-F172 HydrophobicContact CE1-CE1 4.12Å; F141-F172 HydrophobicContact CE1-CE2 4.29Å; F141-F172 AromaticContact CE1-CZ 3.83Å; F141-F172 HydrophobicContact CE1-CZ 3.83Å; F141-F172 HydrophobicContact CG-CE1 4.16Å; I142-F172 HydrophobicContact CD1-CB 4.04Å; I142-F172 HydrophobicContact CG1-CB 4.46Å; I142-F172 HydrophobicContact CG1-CD1 4.47Å; V168-F172 HydrophobicContact CB-CD2 4.44Å; V168-F172 HydrophobicContact CG1-CD2 4.32Å; V168-F172 WeakPolarHBondContact O-CB 3.24Å; V168-F172 PolarHBondContact O-N 3.41Å; V168-F172 VanDerWaalsContact O-N 3.12Å; F172-S174 PolarHBondContact O-N 3.16Å; F172-V175 VanDerWaalsContact O-CB 3.24Å; F172-V175 WeakPolarHBondContact O-CB 3.37Å; F172-V175 WeakPolarHBondContact O-CG1 3.46Å; F172-V175 PolarHBondContact O-N 2.87Å
173P88.8Confident92Very high112 Ų11240.2 Ų40.273%0.72720%0.203SC*.G310 helixtrans-58.8-29.9178.7-26.235.3000114.4V175 V176P173-V175 PolarHBondContact O-N 3.4Å; P173-V176 WeakPolarHBondContact O-CG2 3.42Å; P173-V176 PolarHBondContact O-N 3.23Å
174S91.5Very high92.1Very high16 Ų1644.4 Ų44.411%0.11223%0.225CC..G310 helixtrans-66.1-11.1176.949.80000113.8S139 I142 F172 V176 E177S139-S174 PolarHBondContact N-OG 3.23Å; S139-S174 WeakPolarHBondContact OG-CB 3.1Å; I142-S174 WeakPolarHBondContact CD1-OG 3.35Å; F172-S174 PolarHBondContact O-N 3.16Å; S174-V176 PolarHBondContact O-N 3.32Å; S174-V176 VanDerWaalsContact O-N 3.08Å; S174-E177 WeakPolarHBondContact O-CB 3.27Å; S174-E177 PolarHBondContact O-N 3.45Å
175V92.3Very high92.1Very high3 Ų345.3 Ų45.32%0.01823%0.23CC..G310 helixtrans-57.7-2417577.50000112.9I142 V168 L169 F172 P173 E177 F178 K179 L182 I224I142-V175 HydrophobicContact CD1-CB 4.12Å; V168-V175 HydrophobicContact CG1-CG2 4.29Å; L169-V175 HydrophobicContact CD2-CG1 4.39Å; L169-V175 HydrophobicContact CD2-CG2 4.14Å; F172-V175 VanDerWaalsContact O-CB 3.24Å; F172-V175 WeakPolarHBondContact O-CB 3.37Å; F172-V175 WeakPolarHBondContact O-CG1 3.46Å; F172-V175 PolarHBondContact O-N 2.87Å; P173-V175 PolarHBondContact O-N 3.4Å; V175-E177 PolarHBondContact O-N 2.95Å; V175-F178 CarbonylContact O-C 3.48Å; V175-F178 PolarHBondContact O-N 3.47Å; V175-K179 PolarHBondContact O-N 3.41Å; V175-K179 VanDerWaalsContact O-N 3.16Å; V175-L182 HydrophobicContact CG2-CD2 3.8Å; V175-I224 HydrophobicContact CG1-CD1 4.2Å
176V90.2Very high92.2Very high80 Ų8045.4 Ų45.449%0.48523%0.23SC..G310 helixtrans-59.7-30.4176.11780000112P173 S174 F178 K179 I224P173-V176 WeakPolarHBondContact O-CG2 3.42Å; P173-V176 PolarHBondContact O-N 3.23Å; S174-V176 PolarHBondContact O-N 3.32Å; S174-V176 VanDerWaalsContact O-N 3.08Å; V176-F178 VanDerWaalsContact C-N 3.28Å; V176-F178 PolarHBondContact O-N 3.22Å; V176-K179 WeakPolarHBondContact O-CG 3.43Å; V176-I224 HydrophobicContact CG2-CD1 4.33Å; V176-I224 HydrophobicContact CG2-CG2 4.29Å
177E92.3Very high92.2Very high135 Ų13546.2 Ų46.263%0.63124%0.236SC*.G310 helixtrans-69.7-25.5176.5-60.3179.716500112.6S139 S174 V175S139-E177 PolarHBondContact OG-OE2 2.83Å; S174-E177 WeakPolarHBondContact O-CB 3.27Å; S174-E177 PolarHBondContact O-N 3.45Å; V175-E177 PolarHBondContact O-N 2.95Å
178F93.7Very high92.4Very high31 Ų3150.5 Ų50.514%0.13626%0.263CS..G310 helixtrans-114.218.6-175.3-56.7-89000112.9I142 Q143 L146 V175 V176 D180 E181 L182I142-F178 HydrophobicContact CB-CD2 4.03Å; I142-F178 HydrophobicContact CB-CE2 4.2Å; I142-F178 HydrophobicContact CD1-CD2 4.25Å; I142-F178 HydrophobicContact CD1-CE2 4.48Å; I142-F178 HydrophobicContact CG2-CB 3.85Å; I142-F178 HydrophobicContact CG2-CD1 4.4Å; I142-F178 HydrophobicContact CG2-CD2 3.54Å; I142-F178 HydrophobicContact CG2-CE2 4.18Å; I142-F178 HydrophobicContact CG2-CG 3.67Å; Q143-F178 HydrophobicContact CB-CE1 4.08Å; Q143-F178 HydrophobicContact CB-CZ 4.24Å; L146-F178 HydrophobicContact CD1-CB 3.76Å; L146-F178 HydrophobicContact CD1-CD1 4.05Å; L146-F178 HydrophobicContact CD1-CG 4.17Å; V175-F178 CarbonylContact O-C 3.48Å; V175-F178 PolarHBondContact O-N 3.47Å; V176-F178 VanDerWaalsContact C-N 3.28Å; V176-F178 PolarHBondContact O-N 3.22Å; F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.11Å; F178-E181 WeakPolarHBondContact CA-OE2 3.31Å; F178-E181 PolarHBondContact O-N 3.36Å; F178-L182 WeakPolarHBondContact O-CB 3.4Å; F178-L182 PolarHBondContact O-N 2.98Å
179K91.5Very high92.5Very high60 Ų6052.2 Ų52.226%0.26127%0.27SS..Hα-helixtrans-63.3-36-169.168.7179.5-177.6168.90112.8V175 V176 F183 I224 T225V175-K179 PolarHBondContact O-N 3.41Å; V175-K179 VanDerWaalsContact O-N 3.16Å; V176-K179 WeakPolarHBondContact O-CG 3.43Å; K179-F183 WeakPolarHBondContact O-CB 3.44Å; K179-F183 PolarHBondContact O-N 3.47Å; K179-I224 HydrophobicContact CB-CG2 3.6Å; K179-I224 HydrophobicContact CD-CG2 3.68Å; K179-I224 HydrophobicContact CG-CG2 4.26Å; K179-T225 HydrophobicContact CB-CG2 3.78Å; K179-T225 HydrophobicContact CG-CG2 4.29Å; K179-T225 VanDerWaalsContact O-CG2 3.28Å; K179-T225 WeakPolarHBondContact O-CG2 3.34Å
180D92.8Very high92.7Very high57 Ų5751.7 Ų51.731%0.30527%0.267SS..Hα-helixtrans-78.2-42.8-175.2-67.9-55000108.8F178 F183 E184 H227 N228F178-D180 VanDerWaalsContact C-N 3.29Å; F178-D180 PolarHBondContact O-N 3.11Å; D180-F183 PolarHBondContact O-N 3.24Å; D180-E184 WeakPolarHBondContact O-CG 3.39Å; D180-E184 PolarHBondContact O-N 3.08Å; D180-H227 IonicContact OD1-CE1 3.03Å; D180-H227 IonicContact OD1-NE2 3.11Å; D180-H227 PolarHBondContact OD1-NE2 2.94Å; D180-N228 PolarHBondContact OD1-ND2 3.46Å
181E94Very high92.9Very high96 Ų9648.2 Ų48.245%0.44925%0.254SS..Hα-helixtrans-59.5-48.2172.7-62.485.2170.200111.6L146 F178 F183 E184 T185L146-E181 HydrophobicContact CD1-CB 4.09Å; F178-E181 WeakPolarHBondContact CA-OE2 3.31Å; F178-E181 PolarHBondContact O-N 3.36Å; E181-F183 VanDerWaalsContact C-N 3.3Å; E181-F183 PolarHBondContact O-N 3.28Å; E181-E184 PolarHBondContact O-N 3.42Å; E181-T185 PolarHBondContact O-N 3.14Å; E181-T185 PolarHBondContact O-OG1 2.99Å
182L94.2Very high93Very high3 Ų346.1 Ų46.12%0.01624%0.244CC..Hα-helixtrans-61.3-40.3177.5-177.865.2000111.6L146 I149 L169 V175 F178 T185 I186 M221L146-L182 HydrophobicContact CD2-CB 4Å; L146-L182 HydrophobicContact CD2-CD1 3.62Å; L146-L182 HydrophobicContact CD2-CG 4.42Å; I149-L182 HydrophobicContact CD1-CD1 4.4Å; L169-L182 HydrophobicContact CD2-CD2 3.61Å; L169-L182 HydrophobicContact CG-CD2 4.05Å; V175-L182 HydrophobicContact CG2-CD2 3.8Å; F178-L182 WeakPolarHBondContact O-CB 3.4Å; F178-L182 PolarHBondContact O-N 2.98Å; L182-T185 PolarHBondContact O-N 2.89Å; L182-I186 HydrophobicContact CD1-CG1 4.22Å; L182-I186 WeakPolarHBondContact O-CG1 3.02Å; L182-I186 PolarHBondContact O-N 3.39Å; L182-I186 VanDerWaalsContact O-N 3.13Å; L182-M221 HydrophobicContact CB-CE 4.39Å; L182-M221 HydrophobicContact CD2-CE 4.21Å; L182-M221 HydrophobicContact CG-CE 3.99Å
183F95Very high92.7Very high13 Ų1352.2 Ų52.26%0.05728%0.277CS..Hα-helixtrans-65.6-44.5177.2-175.9-89.3000111.8K179 D180 E181 T185 I186 S187 L218 M221 T225 N228 L229 L232K179-F183 WeakPolarHBondContact O-CB 3.44Å; K179-F183 PolarHBondContact O-N 3.47Å; D180-F183 PolarHBondContact O-N 3.24Å; E181-F183 VanDerWaalsContact C-N 3.3Å; E181-F183 PolarHBondContact O-N 3.28Å; F183-T185 VanDerWaalsContact C-N 3.32Å; F183-T185 PolarHBondContact O-N 3.29Å; F183-I186 PolarHBondContact O-N 3.2Å; F183-S187 WeakPolarHBondContact O-CB 3.32Å; F183-S187 PolarHBondContact O-N 2.88Å; F183-S187 PolarHBondContact O-OG 3.28Å; F183-L218 HydrophobicContact CE2-CD2 4.33Å; F183-M221 VanDerWaalsContact CA-CE 3.41Å; F183-M221 HydrophobicContact CB-CE 3.65Å; F183-M221 HydrophobicContact CD2-CE 3.91Å; F183-M221 HydrophobicContact CG-CE 4.27Å; F183-T225 HydrophobicContact CB-CG2 4.1Å; F183-T225 WeakPolarHBondContact CD2-OG1 2.85Å; F183-N228 HydrophobicContact CD1-CB 3.53Å; F183-N228 HydrophobicContact CD2-CB 4.25Å; F183-N228 HydrophobicContact CE1-CB 3.45Å; F183-N228 VanDerWaalsContact CE1-CB 3.45Å; F183-N228 HydrophobicContact CE2-CB 4.17Å; F183-N228 HydrophobicContact CG-CB 3.95Å; F183-N228 VanDerWaalsContact CZ-C 3.47Å; F183-N228 HydrophobicContact CZ-CB 3.78Å; F183-N228 WeakPolarHBondContact CZ-O 3.41Å; F183-L229 HydrophobicContact CE2-CB 4.02Å; F183-L229 HydrophobicContact CE2-CD1 4.13Å; F183-L229 HydrophobicContact CZ-CB 4.49Å; F183-L232 HydrophobicContact CZ-CB 4.28Å; F183-L232 HydrophobicContact CZ-CD2 3.91Å
184E94Very high92.5Very high129 Ų12949.2 Ų49.260%0.60325%0.253SS*.Hα-helixtrans-59.4-43.2176.5-73.9179.6-179.600111.2D180 E181 I186 S187 V188D180-E184 WeakPolarHBondContact O-CG 3.39Å; D180-E184 PolarHBondContact O-N 3.08Å; E181-E184 PolarHBondContact O-N 3.42Å; E184-I186 VanDerWaalsContact C-N 3.35Å; E184-I186 PolarHBondContact O-N 2.92Å; E184-S187 PolarHBondContact O-OG 2.78Å; E184-V188 WeakPolarHBondContact O-CG1 3.25Å
185T94Very high92.1Very high19 Ų1953.3 Ų53.312%0.11728%0.281CS..Hα-helixtrans-65.4-33.8177.9-53.30000113.3I149 E181 L182 F183 V188 Y189I149-T185 HydrophobicContact CD1-CG2 3.92Å; I149-T185 HydrophobicContact CG1-CG2 3.94Å; E181-T185 PolarHBondContact O-N 3.14Å; E181-T185 PolarHBondContact O-OG1 2.99Å; L182-T185 PolarHBondContact O-N 2.89Å; F183-T185 VanDerWaalsContact C-N 3.32Å; F183-T185 PolarHBondContact O-N 3.29Å; T185-V188 WeakPolarHBondContact O-CG2 3.13Å; T185-Y189 WeakPolarHBondContact O-CE2 3.36Å
186I94.5Very high91.2Very high1 Ų155.9 Ų55.91%0.00530%0.298CS..Hα-helixtrans-93.6-34.8-174.9-61.4-50.5000113.4I149 I161 F162 N165 L182 F183 E184 V188 Y189 L214 L218I149-I186 HydrophobicContact CD1-CD1 4.31Å; I161-I186 HydrophobicContact CG2-CD1 4.34Å; F162-I186 HydrophobicContact CD1-CD1 4.41Å; F162-I186 HydrophobicContact CE1-CD1 4.35Å; F162-I186 HydrophobicContact CE1-CG2 4.48Å; N165-I186 WeakPolarHBondContact ND2-CD1 3.47Å; L182-I186 HydrophobicContact CD1-CG1 4.22Å; L182-I186 WeakPolarHBondContact O-CG1 3.02Å; L182-I186 PolarHBondContact O-N 3.39Å; L182-I186 VanDerWaalsContact O-N 3.13Å; F183-I186 PolarHBondContact O-N 3.2Å; E184-I186 VanDerWaalsContact C-N 3.35Å; E184-I186 PolarHBondContact O-N 2.92Å; I186-V188 PolarHBondContact O-N 3.38Å; I186-Y189 WeakPolarHBondContact O-CD2 3.49Å; I186-Y189 PolarHBondContact O-N 3.09Å; I186-L214 HydrophobicContact CG2-CD1 3.46Å; I186-L214 VanDerWaalsContact CG2-CD1 3.46Å; I186-L218 HydrophobicContact CG2-CD2 4.19Å
187S93.8Very high90.5Very high20 Ų2055.8 Ų55.814%0.1430%0.299CS..Hα-helixtrans-65-24.7-175.558.60000113.8F183 E184 Y189 F190F183-S187 WeakPolarHBondContact O-CB 3.32Å; F183-S187 PolarHBondContact O-N 2.88Å; F183-S187 PolarHBondContact O-OG 3.28Å; E184-S187 PolarHBondContact O-OG 2.78Å; S187-Y189 PolarHBondContact O-N 3.44Å; S187-Y189 VanDerWaalsContact O-N 3.15Å; S187-F190 WeakPolarHBondContact O-CB 3.27Å; S187-F190 PolarHBondContact O-N 2.79Å
188V93.8Very high89Confident107 Ų10755.3 Ų55.365%0.64831%0.308SS*.THydrogen-bonded Turntrans-61.3-22177.5-64.10000113.7E184 T185 I186E184-V188 WeakPolarHBondContact O-CG1 3.25Å; T185-V188 WeakPolarHBondContact O-CG2 3.13Å; I186-V188 PolarHBondContact O-N 3.38Å
189Y94.9Very high87.3Confident38 Ų3855.1 Ų55.115%0.14931%0.314CS..THydrogen-bonded Turntrans-87.9-4.6177.8-55.2-72.7000113.2E152 L158 F162 T185 I186 S187 P191 I192 L214E152-Y189 PolarHBondContact N-OH 3.07Å; E152-Y189 WeakPolarHBondContact O-CE1 3.33Å; E152-Y189 PolarHBondContact O-OH 3.37Å; L158-Y189 HydrophobicContact CD1-CD1 4.1Å; L158-Y189 HydrophobicContact CD1-CE1 3.92Å; L158-Y189 HydrophobicContact CD2-CD1 4.16Å; L158-Y189 HydrophobicContact CD2-CD2 4.49Å; L158-Y189 HydrophobicContact CD2-CE1 3.57Å; L158-Y189 HydrophobicContact CD2-CE2 3.97Å; L158-Y189 VanDerWaalsContact CD2-CZ 3.48Å; L158-Y189 HydrophobicContact CG-CE1 4.42Å; F162-Y189 AromaticContact CE1-CD2 3.8Å; F162-Y189 HydrophobicContact CE1-CD2 3.8Å; F162-Y189 HydrophobicContact CE1-CE2 4.38Å; F162-Y189 HydrophobicContact CE1-CG 4.26Å; F162-Y189 AromaticContact CZ-CD2 3.9Å; F162-Y189 HydrophobicContact CZ-CD2 3.9Å; F162-Y189 AromaticContact CZ-CG 3.87Å; F162-Y189 HydrophobicContact CZ-CG 3.87Å; T185-Y189 WeakPolarHBondContact O-CE2 3.36Å; I186-Y189 WeakPolarHBondContact O-CD2 3.49Å; I186-Y189 PolarHBondContact O-N 3.09Å; S187-Y189 PolarHBondContact O-N 3.44Å; S187-Y189 VanDerWaalsContact O-N 3.15Å; Y189-P191 CarbonylContact O-C 3.46Å; Y189-I192 VanDerWaalsContact O-CD1 3.31Å; Y189-I192 WeakPolarHBondContact O-CD1 3.34Å; Y189-I192 PolarHBondContact O-N 3.44Å; Y189-L214 VanDerWaalsContact C-CD2 3.49Å; Y189-L214 VanDerWaalsContact O-CD2 3.25Å; Y189-L214 WeakPolarHBondContact O-CD2 3.39Å
190F95Very high85.5Confident11 Ų1154.5 Ų54.55%0.04833%0.325CS..  trans-98.6125.6-176-171.8-100.1000111.9S187 L214 L218 L232 K236 D247 A248 L251S187-F190 WeakPolarHBondContact O-CB 3.27Å; S187-F190 PolarHBondContact O-N 2.79Å; F190-L214 HydrophobicContact CB-CD2 3.92Å; F190-L214 HydrophobicContact CD2-CD2 4.03Å; F190-L214 HydrophobicContact CD2-CG 4.46Å; F190-L218 HydrophobicContact CB-CD1 3.88Å; F190-L218 HydrophobicContact CD1-CD1 4.44Å; F190-L218 HydrophobicContact CD2-CD1 3.42Å; F190-L218 VanDerWaalsContact CD2-CD1 3.42Å; F190-L218 HydrophobicContact CE2-CD1 4.05Å; F190-L218 HydrophobicContact CG-CD1 3.65Å; F190-L232 HydrophobicContact CB-CD2 4.2Å; F190-L232 HydrophobicContact CD1-CD1 4.11Å; F190-L232 HydrophobicContact CD1-CD2 3.82Å; F190-L232 HydrophobicContact CD1-CG 3.83Å; F190-L232 HydrophobicContact CE1-CG 4.44Å; F190-L232 HydrophobicContact CG-CD2 4.26Å; F190-K236 HydrophobicContact CD1-CG 3.82Å; F190-K236 HydrophobicContact CE1-CB 4.06Å; F190-K236 HydrophobicContact CE1-CG 3.67Å; F190-K236 VanDerWaalsContact O-CE 3.24Å; F190-K236 WeakPolarHBondContact O-CE 3.22Å; F190-D247 HydrophobicContact CE2-CB 4.08Å; F190-D247 HydrophobicContact CZ-CB 4.21Å; F190-A248 HydrophobicContact CE1-CB 4.2Å; F190-A248 HydrophobicContact CZ-CB 4.09Å; F190-L251 HydrophobicContact CE2-CD2 4Å; F190-L251 HydrophobicContact CZ-CD2 3.95Å
191P91.8Very high83.5Confident24 Ų2452.8 Ų52.816%0.15632%0.32CS..SBendcis-83.9159.9-5.435-38.3000113.5Y189 D193 W241 D247Y189-P191 CarbonylContact O-C 3.46Å; P191-D193 PolarHBondContact O-N 3.27Å; P191-W241 HydrophobicContact CB-CE3 4.45Å; P191-W241 HydrophobicContact CB-CZ3 3.73Å; P191-W241 HydrophobicContact CG-CE3 3.74Å; P191-W241 HydrophobicContact CG-CZ3 3.38Å; P191-D247 HydrophobicContact CB-CB 4.4Å
192I91.7Very high81.4Confident11 Ų1155.4 Ų55.46%0.05634%0.336CS..  trans-78.1114.3-179.1-61.2-72.6000110.9F162 Y189 F194 R207 L210 A211 L214F162-I192 HydrophobicContact CE2-CD1 4.35Å; Y189-I192 VanDerWaalsContact O-CD1 3.31Å; Y189-I192 WeakPolarHBondContact O-CD1 3.34Å; Y189-I192 PolarHBondContact O-N 3.44Å; I192-F194 HydrophobicContact CG2-CB 3.59Å; I192-R207 HydrophobicContact CG2-CG 4.05Å; I192-R207 PolarHBondContact O-NE 3.32Å; I192-L210 HydrophobicContact CD1-CB 4.26Å; I192-L210 HydrophobicContact CG1-CB 4.23Å; I192-L210 HydrophobicContact CG2-CB 3.97Å; I192-L210 HydrophobicContact CG2-CD1 4.43Å; I192-A211 HydrophobicContact CB-CB 4.21Å; I192-A211 HydrophobicContact CG1-CB 4.29Å; I192-L214 HydrophobicContact CD1-CD2 3.85Å; I192-L214 HydrophobicContact CG1-CB 4.5Å; I192-L214 HydrophobicContact CG1-CD2 3.85Å
193D86.4Confident79.9Confident130 Ų13057 Ų5770%0.69535%0.347SS*.  trans-99.28.1173.971.5-15.8000113.7P191 S195 W241P191-D193 PolarHBondContact O-N 3.27Å; D193-S195 PolarHBondContact O-N 2.86Å; D193-W241 HydrophobicContact CB-CH2 4.07Å; D193-W241 HydrophobicContact CB-CZ2 4.44Å
194F85.9Confident78.7Confident50 Ų5058 Ų5822%0.21936%0.361CS..  trans-52.2123.1-178.2176.9-109.1000112P155 I192 P196 R207 L210P155-F194 HydrophobicContact CB-CD2 4.35Å; P155-F194 HydrophobicContact CB-CE1 4.47Å; P155-F194 HydrophobicContact CB-CE2 3.9Å; P155-F194 HydrophobicContact CB-CZ 3.95Å; P155-F194 HydrophobicContact CG-CE2 3.8Å; P155-F194 HydrophobicContact CG-CZ 3.9Å; I192-F194 HydrophobicContact CG2-CB 3.59Å; F194-P196 HydrophobicContact CE1-CB 3.82Å; F194-P196 HydrophobicContact CE1-CG 4.35Å; F194-P196 HydrophobicContact CZ-CB 4.03Å; F194-R207 VanDerWaalsContact O-CB 3.27Å; F194-R207 WeakPolarHBondContact O-CB 3.47Å; F194-R207 WeakPolarHBondContact O-CG 3.31Å; F194-L210 HydrophobicContact CB-CD1 3.98Å; F194-L210 HydrophobicContact CD1-CD1 3.67Å; F194-L210 HydrophobicContact CD2-CD1 4.46Å; F194-L210 HydrophobicContact CE1-CD1 4.25Å; F194-L210 HydrophobicContact CG-CD1 3.78Å
195S81.4Confident78.1Confident102 Ų10252.4 Ų52.471%0.71334%0.336SS*.  trans-112.9111170.4-65.70000108.4D193D193-S195 PolarHBondContact O-N 2.86Å
196P75.2Confident77.7Confident57 Ų5754.7 Ų54.737%0.3735%0.35SS..PPolyproline II helixtrans-59.3146.9-179.922.9-31.6000110.5F194F194-P196 HydrophobicContact CE1-CB 3.82Å; F194-P196 HydrophobicContact CE1-CG 4.35Å; F194-P196 HydrophobicContact CZ-CB 4.03Å
197P75.1Confident77.4Confident78 Ų7856.7 Ų56.751%0.50636%0.358SS..PPolyproline II helixtrans-53.7146.1177-24.332.1000111.9G199 G200P197-G199 PolarHBondContact O-N 2.89Å; P197-G200 PolarHBondContact O-N 2.76Å
198P60.1Low77Confident125 Ų12560.6 Ų60.681%0.81238%0.377SS*.THydrogen-bonded Turntrans-55.1121.6176.3-19.629.5000110.7
199G57.6Low76.7Confident27 Ų2757.6 Ų57.628%0.27836%0.357SS..THydrogen-bonded Turntrans110.13.9-175.700000115.5P197P197-G199 PolarHBondContact O-N 2.89Å
200G55Low76.5Confident46 Ų4656 Ų5647%0.47435%0.351SS..  trans76.4101.4179.100000110.3P197 I202P197-G200 PolarHBondContact O-N 2.76Å; G200-I202 PolarHBondContact O-N 3.5Å
201G50.3Low76.4Confident21 Ų2156 Ų5622%0.21635%0.353CS..  trans-44.3134.8179.200000111.4S203 G204G201-S203 PolarHBondContact O-N 3.07Å; G201-G204 PolarHBondContact O-N 2.79Å
202I50Low76.3Confident152 Ų15255.5 Ų55.578%0.77935%0.35SS*.THydrogen-bonded Turntrans-50.2-21.4-166.6-52.4159.8000113.1G200G200-I202 PolarHBondContact O-N 3.5Å
203S62.5Low76.2Confident35 Ų3555.2 Ų55.225%0.24535%0.349CS..THydrogen-bonded Turntrans-98.8-1.3-176.1-47.60000116Q156 G201 V205 K1120Q156-S203 PolarHBondContact OE1-OG 3.07Å; G201-S203 PolarHBondContact O-N 3.07Å; S203-V205 PolarHBondContact O-N 2.85Å; S203-K1120 PolarHBondContact O-NZ 2.88Å
204G68.9Low76.6Confident34 Ų3449.1 Ų49.135%0.35132%0.316SS..  trans67.518.8-179.500000114.9G201G201-G204 PolarHBondContact O-N 2.79Å
205V82.1Confident77Confident13 Ų1347 Ų478%0.07931%0.307CS..  trans-83.7121.5176.2179.90000108.7P155 Q156 S203 L209 L210P155-V205 HydrophobicContact CB-CG1 4.04Å; Q156-V205 HydrophobicContact CB-CG2 4.28Å; S203-V205 PolarHBondContact O-N 2.85Å; V205-L209 HydrophobicContact CG1-CD2 4.45Å; V205-L210 HydrophobicContact CG1-CD1 3.77Å; V205-L210 HydrophobicContact CG1-CD2 3.97Å; V205-L210 HydrophobicContact CG1-CG 3.57Å
206T85.1Confident77.5Confident67 Ų6742.9 Ų42.941%0.41128%0.277SS..  trans-101.7164.5176.4630000110.8D208 L209 L210T206-D208 VanDerWaalsContact C-N 3.26Å; T206-D208 PolarHBondContact O-N 3.43Å; T206-L209 PolarHBondContact O-N 3.36Å; T206-L209 WeakPolarHBondContact OG1-CB 3.31Å; T206-L209 PolarHBondContact OG1-N 3.27Å; T206-L209 VanDerWaalsContact OG1-N 3.11Å; T206-L210 PolarHBondContact O-N 3.28Å
207R88.1Confident78.3Confident43 Ų4340.1 Ų40.116%0.16226%0.259CS..Hα-helixtrans-55.8-43.9170.5-176.6-105.6170.4-154.60.6111.4I192 F194 L210 A211 D247I192-R207 HydrophobicContact CG2-CG 4.05Å; I192-R207 PolarHBondContact O-NE 3.32Å; F194-R207 VanDerWaalsContact O-CB 3.27Å; F194-R207 WeakPolarHBondContact O-CB 3.47Å; F194-R207 WeakPolarHBondContact O-CG 3.31Å; R207-L210 PolarHBondContact O-N 3.14Å; R207-A211 WeakPolarHBondContact O-CB 3.49Å; R207-A211 PolarHBondContact O-N 3.13Å; R207-D247 IonicContact CZ-OD1 2.68Å; R207-D247 IonicContact CZ-OD2 4Å; R207-D247 IonicContact NH1-OD1 2.67Å; R207-D247 IonicContact NH2-OD1 3.07Å; R207-D247 PolarHBondContact NH2-OD1 3.26Å; R207-D247 IonicContact NH2-OD2 3.22Å; R207-D247 PolarHBondContact NH2-OD2 2.93Å
208D86.6Confident79.2Confident101 Ų10136.4 Ų36.454%0.5424%0.235SC..Hα-helixtrans-69-38.1-177.1-58.6-39.3000112.1T206 L210 A211 S212T206-D208 VanDerWaalsContact C-N 3.26Å; T206-D208 PolarHBondContact O-N 3.43Å; D208-L210 VanDerWaalsContact C-N 3.35Å; D208-L210 PolarHBondContact O-N 3.36Å; D208-A211 PolarHBondContact O-N 3.47Å; D208-S212 WeakPolarHBondContact O-CB 3.39Å; D208-S212 PolarHBondContact O-N 3.33Å
209L87.4Confident80.8Confident45 Ų4530.5 Ų30.524%0.23620%0.196CC..Hα-helixtrans-61-44.5174.4-177.667.7000111.5V205 T206 S213V205-L209 HydrophobicContact CG1-CD2 4.45Å; T206-L209 PolarHBondContact O-N 3.36Å; T206-L209 WeakPolarHBondContact OG1-CB 3.31Å; T206-L209 PolarHBondContact OG1-N 3.27Å; T206-L209 VanDerWaalsContact OG1-N 3.11Å; L209-S213 WeakPolarHBondContact O-CB 3.18Å; L209-S213 PolarHBondContact O-N 3.09Å; L209-S213 PolarHBondContact O-OG 3.06Å
210L91.2Very high82.3Confident3 Ų330.1 Ų30.12%0.01619%0.191CC..Hα-helixtrans-65.8-46.3176.4-74.9171.6000111.9P155 L158 H159 F162 I192 F194 V205 T206 R207 D208 S212 S213 L214P155-L210 HydrophobicContact CB-CD1 3.82Å; P155-L210 WeakPolarHBondContact O-CD2 3.36Å; L158-L210 HydrophobicContact CB-CD2 4.18Å; H159-L210 HydrophobicContact CB-CD2 4.02Å; F162-L210 HydrophobicContact CE2-CD2 4.3Å; I192-L210 HydrophobicContact CD1-CB 4.26Å; I192-L210 HydrophobicContact CG1-CB 4.23Å; I192-L210 HydrophobicContact CG2-CB 3.97Å; I192-L210 HydrophobicContact CG2-CD1 4.43Å; F194-L210 HydrophobicContact CB-CD1 3.98Å; F194-L210 HydrophobicContact CD1-CD1 3.67Å; F194-L210 HydrophobicContact CD2-CD1 4.46Å; F194-L210 HydrophobicContact CE1-CD1 4.25Å; F194-L210 HydrophobicContact CG-CD1 3.78Å; V205-L210 HydrophobicContact CG1-CD1 3.77Å; V205-L210 HydrophobicContact CG1-CD2 3.97Å; V205-L210 HydrophobicContact CG1-CG 3.57Å; T206-L210 PolarHBondContact O-N 3.28Å; R207-L210 PolarHBondContact O-N 3.14Å; D208-L210 VanDerWaalsContact C-N 3.35Å; D208-L210 PolarHBondContact O-N 3.36Å; L210-S212 PolarHBondContact O-N 3.47Å; L210-S213 PolarHBondContact O-N 3.19Å; L210-L214 WeakPolarHBondContact O-CB 3.29Å; L210-L214 PolarHBondContact O-N 2.96Å
211A91.7Very high84Confident11 Ų1128 Ų289%0.09117%0.168CC..Hα-helixtrans-62.1-43.4179.600000111.5I192 R207 D208 L214 H215I192-A211 HydrophobicContact CB-CB 4.21Å; I192-A211 HydrophobicContact CG1-CB 4.29Å; R207-A211 WeakPolarHBondContact O-CB 3.49Å; R207-A211 PolarHBondContact O-N 3.13Å; D208-A211 PolarHBondContact O-N 3.47Å; A211-L214 PolarHBondContact O-N 3.38Å; A211-H215 WeakPolarHBondContact O-CB 3.15Å; A211-H215 PolarHBondContact O-N 3.5Å
212S90.1Very high86Confident14 Ų1427.1 Ų27.110%0.09816%0.158CC..Hα-helixtrans-61.3-45.9175.5-1800000111.7D208 L210 H215 Q216 D264D208-S212 WeakPolarHBondContact O-CB 3.39Å; D208-S212 PolarHBondContact O-N 3.33Å; L210-S212 PolarHBondContact O-N 3.47Å; S212-H215 WeakPolarHBondContact O-CB 3.47Å; S212-H215 PolarHBondContact O-N 2.84Å; S212-Q216 WeakPolarHBondContact O-CG 3.42Å; S212-Q216 PolarHBondContact O-N 3.33Å; S212-D264 WeakPolarHBondContact CB-OD2 3.25Å; S212-D264 PolarHBondContact OG-OD2 3.22Å
213S90.5Very high87.7Confident6 Ų622.9 Ų22.94%0.04214%0.137CC..Hα-helixtrans-66.3-42.9178.1-53.80000112.2H159 L209 L210 Q216 C217H159-S213 PolarHBondContact CE1-OG 2.97Å; H159-S213 PolarHBondContact ND1-OG 3.23Å; L209-S213 WeakPolarHBondContact O-CB 3.18Å; L209-S213 PolarHBondContact O-N 3.09Å; L209-S213 PolarHBondContact O-OG 3.06Å; L210-S213 PolarHBondContact O-N 3.19Å; S213-Q216 PolarHBondContact O-N 2.85Å; S213-C217 PolarHBondContact O-N 2.93Å; S213-C217 VanDerWaalsContact O-N 3.13Å
214L94.6Very high88.9Confident1 Ų123.2 Ų23.21%0.00514%0.136CC..Hα-helixtrans-65.4-40.9175.6178.760.9000111.6F162 I186 Y189 F190 I192 L210 A211 Q216 C217 L218F162-L214 HydrophobicContact CD1-CD1 4.1Å; F162-L214 HydrophobicContact CD2-CB 3.94Å; F162-L214 HydrophobicContact CE1-CD1 3.78Å; F162-L214 HydrophobicContact CE2-CB 3.85Å; F162-L214 HydrophobicContact CE2-CD1 4.4Å; F162-L214 HydrophobicContact CG-CB 4.4Å; F162-L214 HydrophobicContact CZ-CB 4.24Å; F162-L214 HydrophobicContact CZ-CD1 3.94Å; F162-L214 HydrophobicContact CZ-CG 4.47Å; I186-L214 HydrophobicContact CG2-CD1 3.46Å; I186-L214 VanDerWaalsContact CG2-CD1 3.46Å; Y189-L214 VanDerWaalsContact C-CD2 3.49Å; Y189-L214 VanDerWaalsContact O-CD2 3.25Å; Y189-L214 WeakPolarHBondContact O-CD2 3.39Å; F190-L214 HydrophobicContact CB-CD2 3.92Å; F190-L214 HydrophobicContact CD2-CD2 4.03Å; F190-L214 HydrophobicContact CD2-CG 4.46Å; I192-L214 HydrophobicContact CD1-CD2 3.85Å; I192-L214 HydrophobicContact CG1-CB 4.5Å; I192-L214 HydrophobicContact CG1-CD2 3.85Å; L210-L214 WeakPolarHBondContact O-CB 3.29Å; L210-L214 PolarHBondContact O-N 2.96Å; A211-L214 PolarHBondContact O-N 3.38Å; L214-Q216 VanDerWaalsContact C-N 3.35Å; L214-Q216 PolarHBondContact O-N 3.26Å; L214-C217 WeakPolarHBondContact O-CB 3.35Å; L214-C217 PolarHBondContact O-N 2.97Å; L214-L218 HydrophobicContact CD1-CD1 4.25Å; L214-L218 HydrophobicContact CD1-CG 4.18Å; L214-L218 HydrophobicContact CG-CD1 4.11Å; L214-L218 HydrophobicContact CG-CG 4.44Å; L214-L218 PolarHBondContact O-N 3.46Å
215H93.9Very high89.8Confident7 Ų721.7 Ų21.73%0.03212%0.12CC..Hα-helixtrans-58.3-46.7175.8179.7118.2000111.1A211 S212 C217 L218 F219 C250 L251 D254 L260A211-H215 WeakPolarHBondContact O-CB 3.15Å; A211-H215 PolarHBondContact O-N 3.5Å; S212-H215 WeakPolarHBondContact O-CB 3.47Å; S212-H215 PolarHBondContact O-N 2.84Å; H215-C217 VanDerWaalsContact C-N 3.3Å; H215-C217 PolarHBondContact O-N 3.14Å; H215-L218 PolarHBondContact O-N 2.83Å; H215-F219 WeakPolarHBondContact O-CB 3.34Å; H215-F219 PolarHBondContact O-N 3.27Å; H215-C250 VanDerWaalsContact CE1-C 3.48Å; H215-L251 WeakPolarHBondContact CE1-CA 3.26Å; H215-L251 PolarHBondContact CE1-N 3.47Å; H215-L251 VanDerWaalsContact CE1-N 3.29Å; H215-D254 IonicContact CD2-OD2 2.98Å; H215-D254 IonicContact CE1-OD2 3.45Å; H215-D254 PolarHBondContact CE1-OD2 2.83Å; H215-D254 IonicContact NE2-OD2 3.68Å; H215-D254 PolarHBondContact NE2-OD2 3.5Å; H215-L260 VanDerWaalsContact CD2-CD1 3.44Å; H215-L260 WeakPolarHBondContact CD2-CD1 3.47Å
216Q91.7Very high90Very high14 Ų1421 Ų217%0.06512%0.116CC..Hα-helixtrans-58.2-42.3175-75.1176.917.900112.2V166 S212 S213 L214 A220 L260 L273V166-Q216 HydrophobicContact CG2-CB 4.26Å; S212-Q216 WeakPolarHBondContact O-CG 3.42Å; S212-Q216 PolarHBondContact O-N 3.33Å; S213-Q216 PolarHBondContact O-N 2.85Å; L214-Q216 VanDerWaalsContact C-N 3.35Å; L214-Q216 PolarHBondContact O-N 3.26Å; Q216-A220 WeakPolarHBondContact O-CB 3.08Å; Q216-A220 PolarHBondContact O-N 3.19Å; Q216-L260 HydrophobicContact CG-CD1 4.31Å; Q216-L260 HydrophobicContact CG-CD2 3.89Å; Q216-L273 HydrophobicContact CB-CD1 3.76Å; Q216-L273 HydrophobicContact CG-CD1 3.77Å
217C91.8Very high90.3Very high0 Ų020.9 Ų20.90%011%0.11CC..Hα-helixtrans-62.6-54176.5-171.40000111.6N165 V166 S213 L214 H215 F219 A220 M221N165-C217 WeakPolarHBondContact CB-SG 3.47Å; V166-C217 HydrophobicContact CG2-CB 4.37Å; S213-C217 PolarHBondContact O-N 2.93Å; S213-C217 VanDerWaalsContact O-N 3.13Å; L214-C217 WeakPolarHBondContact O-CB 3.35Å; L214-C217 PolarHBondContact O-N 2.97Å; H215-C217 VanDerWaalsContact C-N 3.3Å; H215-C217 PolarHBondContact O-N 3.14Å; C217-F219 VanDerWaalsContact C-N 3.29Å; C217-F219 PolarHBondContact O-N 2.75Å; C217-A220 WeakPolarHBondContact O-CB 3.37Å; C217-A220 PolarHBondContact O-N 3.41Å; C217-A220 VanDerWaalsContact O-N 3.14Å; C217-M221 VanDerWaalsContact O-CG 3.27Å; C217-M221 WeakPolarHBondContact O-CG 3.39Å; C217-M221 PolarHBondContact O-N 3.15Å; C217-M221 VanDerWaalsContact O-N 3.09Å
218L94.3Very high90.5Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-63.6-35.6-179.9-66.9173.6000112.4F183 I186 F190 L214 H215 M221 R222 L229 L251F183-L218 HydrophobicContact CE2-CD2 4.33Å; I186-L218 HydrophobicContact CG2-CD2 4.19Å; F190-L218 HydrophobicContact CB-CD1 3.88Å; F190-L218 HydrophobicContact CD1-CD1 4.44Å; F190-L218 HydrophobicContact CD2-CD1 3.42Å; F190-L218 VanDerWaalsContact CD2-CD1 3.42Å; F190-L218 HydrophobicContact CE2-CD1 4.05Å; F190-L218 HydrophobicContact CG-CD1 3.65Å; L214-L218 HydrophobicContact CD1-CD1 4.25Å; L214-L218 HydrophobicContact CD1-CG 4.18Å; L214-L218 HydrophobicContact CG-CD1 4.11Å; L214-L218 HydrophobicContact CG-CG 4.44Å; L214-L218 PolarHBondContact O-N 3.46Å; H215-L218 PolarHBondContact O-N 2.83Å; L218-M221 HydrophobicContact CD2-SD 4.44Å; L218-M221 PolarHBondContact O-N 3.12Å; L218-R222 PolarHBondContact O-N 3.21Å; L218-L229 HydrophobicContact CB-CD1 4.32Å; L218-L229 HydrophobicContact CD2-CD1 4.48Å; L218-L251 HydrophobicContact CB-CD1 4.08Å; L218-L251 HydrophobicContact CB-CD2 3.79Å; L218-L251 HydrophobicContact CD1-CD2 3.77Å; L218-L251 HydrophobicContact CG-CD2 4.45Å
219F92.8Very high90.9Very high1 Ų116.1 Ų16.10%0.0049%0.088CC..Hα-helixtrans-62.6-44.1173.2175.2-104.5000111.4H215 C217 M221 R222 L251 D254 L260 L273H215-F219 WeakPolarHBondContact O-CB 3.34Å; H215-F219 PolarHBondContact O-N 3.27Å; C217-F219 VanDerWaalsContact C-N 3.29Å; C217-F219 PolarHBondContact O-N 2.75Å; F219-M221 PolarHBondContact O-N 3.45Å; F219-R222 VanDerWaalsContact CE2-CZ 3.46Å; F219-R222 WeakPolarHBondContact O-CB 3.32Å; F219-R222 VanDerWaalsContact O-CD 3.25Å; F219-R222 WeakPolarHBondContact O-CD 3.45Å; F219-R222 WeakPolarHBondContact O-CG 3.24Å; F219-R222 PolarHBondContact O-N 3.25Å; F219-R222 PolarHBondContact O-NH1 3.15Å; F219-L251 HydrophobicContact CB-CD1 4.03Å; F219-D254 HydrophobicContact CD2-CB 4.03Å; F219-D254 HydrophobicContact CE2-CB 4.12Å; F219-D254 WeakPolarHBondContact CE2-O 3.31Å; F219-L260 HydrophobicContact CD1-CD1 4.34Å; F219-L260 HydrophobicContact CE1-CB 4.25Å; F219-L260 HydrophobicContact CG-CD1 4.45Å; F219-L273 HydrophobicContact CD1-CD2 4.35Å
220A90.2Very high91.2Very high19 Ų1914 Ų1416%0.1578%0.077CC..Hα-helixtrans-61.6-33.9175.500000112.4L169 Q216 C217 R222 L273L169-A220 HydrophobicContact CD1-CB 3.86Å; Q216-A220 WeakPolarHBondContact O-CB 3.08Å; Q216-A220 PolarHBondContact O-N 3.19Å; C217-A220 WeakPolarHBondContact O-CB 3.37Å; C217-A220 PolarHBondContact O-N 3.41Å; C217-A220 VanDerWaalsContact O-N 3.14Å; A220-R222 VanDerWaalsContact C-N 3.31Å; A220-R222 PolarHBondContact O-N 2.97Å; A220-L273 HydrophobicContact CB-CD2 3.81Å
221M90.7Very high91.3Very high1 Ų116.2 Ų16.21%0.0059%0.092CC..Hα-helixtrans-74.8-16.4-179.4-64.8177.876.200114.2L169 L182 F183 C217 L218 F219 N223 I224 T225L169-M221 HydrophobicContact CD1-CG 3.33Å; L169-M221 HydrophobicContact CD1-SD 4.36Å; L169-M221 HydrophobicContact CD2-CG 3.95Å; L169-M221 HydrophobicContact CG-CG 4.29Å; L182-M221 HydrophobicContact CB-CE 4.39Å; L182-M221 HydrophobicContact CD2-CE 4.21Å; L182-M221 HydrophobicContact CG-CE 3.99Å; F183-M221 VanDerWaalsContact CA-CE 3.41Å; F183-M221 HydrophobicContact CB-CE 3.65Å; F183-M221 HydrophobicContact CD2-CE 3.91Å; F183-M221 HydrophobicContact CG-CE 4.27Å; C217-M221 VanDerWaalsContact O-CG 3.27Å; C217-M221 WeakPolarHBondContact O-CG 3.39Å; C217-M221 PolarHBondContact O-N 3.15Å; C217-M221 VanDerWaalsContact O-N 3.09Å; L218-M221 HydrophobicContact CD2-SD 4.44Å; L218-M221 PolarHBondContact O-N 3.12Å; F219-M221 PolarHBondContact O-N 3.45Å; M221-N223 PolarHBondContact O-N 3Å; M221-I224 PolarHBondContact O-N 3.11Å; M221-T225 WeakPolarHBondContact CB-OG1 3.43Å; M221-T225 HydrophobicContact CE-CG2 4.14Å; M221-T225 PolarHBondContact O-N 2.79Å; M221-T225 PolarHBondContact O-OG1 3.42Å
222R92Very high91.5Very high2 Ų216.5 Ų16.51%0.0089%0.092CC..THydrogen-bonded Turntrans-52.5-32.2-171.278.3-170.1179.2-82.73.8114.7L218 F219 A220 G226 L229 D276 N278 I280L218-R222 PolarHBondContact O-N 3.21Å; F219-R222 VanDerWaalsContact CE2-CZ 3.46Å; F219-R222 WeakPolarHBondContact O-CB 3.32Å; F219-R222 VanDerWaalsContact O-CD 3.25Å; F219-R222 WeakPolarHBondContact O-CD 3.45Å; F219-R222 WeakPolarHBondContact O-CG 3.24Å; F219-R222 PolarHBondContact O-N 3.25Å; F219-R222 PolarHBondContact O-NH1 3.15Å; A220-R222 VanDerWaalsContact C-N 3.31Å; A220-R222 PolarHBondContact O-N 2.97Å; R222-G226 VanDerWaalsContact O-CA 3.29Å; R222-G226 WeakPolarHBondContact O-CA 3.44Å; R222-G226 PolarHBondContact O-N 3.23Å; R222-L229 HydrophobicContact CB-CD2 3.8Å; R222-D276 PolarHBondContact NH2-O 3.47Å; R222-D276 IonicContact NH2-OD1 3.86Å; R222-N278 PolarHBondContact NE-O 3.35Å; R222-N278 VanDerWaalsContact NE-O 3.07Å; R222-N278 PolarHBondContact NH2-O 3.24Å; R222-I280 HydrophobicContact CB-CB 4.48Å; R222-I280 HydrophobicContact CB-CD1 4.44Å; R222-I280 HydrophobicContact CB-CG1 4.4Å
223N86.4Confident91.8Very high63 Ų6315.9 Ų15.934%0.3379%0.087SC..THydrogen-bonded Turntrans-79.7-22.2-177.2-69.8-21.1000113.2M221 D276M221-N223 PolarHBondContact O-N 3Å; N223-D276 PolarHBondContact ND2-OD2 2.89Å
224I87.1Confident92Very high42 Ų4216.1 Ų16.122%0.2159%0.089CC..THydrogen-bonded Turntrans-106.7-38-175-49.1177.7000110.8L169 V175 V176 K179 M221L169-I224 HydrophobicContact CD2-CD1 4.33Å; V175-I224 HydrophobicContact CG1-CD1 4.2Å; V176-I224 HydrophobicContact CG2-CD1 4.33Å; V176-I224 HydrophobicContact CG2-CG2 4.29Å; K179-I224 HydrophobicContact CB-CG2 3.6Å; K179-I224 HydrophobicContact CD-CG2 3.68Å; K179-I224 HydrophobicContact CG-CG2 4.26Å; M221-I224 PolarHBondContact O-N 3.11Å
225T88.4Confident92Very high2 Ų221.3 Ų21.31%0.01211%0.113CC..SBendtrans-119.426.3-174.667.40000112.5K179 F183 M221 H227 N228 L229K179-T225 HydrophobicContact CB-CG2 3.78Å; K179-T225 HydrophobicContact CG-CG2 4.29Å; K179-T225 VanDerWaalsContact O-CG2 3.28Å; K179-T225 WeakPolarHBondContact O-CG2 3.34Å; F183-T225 HydrophobicContact CB-CG2 4.1Å; F183-T225 WeakPolarHBondContact CD2-OG1 2.85Å; M221-T225 WeakPolarHBondContact CB-OG1 3.43Å; M221-T225 HydrophobicContact CE-CG2 4.14Å; M221-T225 PolarHBondContact O-N 2.79Å; M221-T225 PolarHBondContact O-OG1 3.42Å; T225-H227 PolarHBondContact O-N 2.92Å; T225-H227 VanDerWaalsContact O-N 3.14Å; T225-N228 PolarHBondContact O-N 3.15Å; T225-L229 WeakPolarHBondContact O-CB 3.35Å; T225-L229 PolarHBondContact O-N 3.42Å
226G85.7Confident92Very high0 Ų022.9 Ų22.90%012%0.12CC..Hα-helixtrans-53.9-33.5179.400000113.1R222 N228 L229 M230R222-G226 VanDerWaalsContact O-CA 3.29Å; R222-G226 WeakPolarHBondContact O-CA 3.44Å; R222-G226 PolarHBondContact O-N 3.23Å; G226-N228 VanDerWaalsContact C-N 3.34Å; G226-N228 PolarHBondContact O-N 3.28Å; G226-L229 PolarHBondContact O-N 3.07Å; G226-M230 WeakPolarHBondContact O-CG 3.28Å; G226-M230 PolarHBondContact O-N 3.47Å; G226-M230 VanDerWaalsContact O-N 3.15Å
227H90.2Very high92Very high63 Ų6322.5 Ų22.529%0.29212%0.118SC..Hα-helixtrans-62.9-33.5175.660-72.3000113.9D180 T225 P231 H284D180-H227 IonicContact OD1-CE1 3.03Å; D180-H227 IonicContact OD1-NE2 3.11Å; D180-H227 PolarHBondContact OD1-NE2 2.94Å; T225-H227 PolarHBondContact O-N 2.92Å; T225-H227 VanDerWaalsContact O-N 3.14Å; H227-P231 WeakPolarHBondContact O-CD 3.4Å; H227-P231 WeakPolarHBondContact O-CG 3.35Å; H227-H284 PolarHBondContact N-ND1 3.06Å
228N93Very high92Very high43 Ų4327.8 Ų27.823%0.2314%0.143CC..Hα-helixtrans-89.3-31.9176.8-63.6-22.3000112D180 F183 T225 G226 P231D180-N228 PolarHBondContact OD1-ND2 3.46Å; F183-N228 HydrophobicContact CD1-CB 3.53Å; F183-N228 HydrophobicContact CD2-CB 4.25Å; F183-N228 HydrophobicContact CE1-CB 3.45Å; F183-N228 VanDerWaalsContact CE1-CB 3.45Å; F183-N228 HydrophobicContact CE2-CB 4.17Å; F183-N228 HydrophobicContact CG-CB 3.95Å; F183-N228 VanDerWaalsContact CZ-C 3.47Å; F183-N228 HydrophobicContact CZ-CB 3.78Å; F183-N228 WeakPolarHBondContact CZ-O 3.41Å; T225-N228 PolarHBondContact O-N 3.15Å; G226-N228 VanDerWaalsContact C-N 3.34Å; G226-N228 PolarHBondContact O-N 3.28Å; N228-P231 VanDerWaalsContact O-CD 3.32Å; N228-P231 WeakPolarHBondContact O-CD 3.41Å
229L94.7Very high91.7Very high1 Ų129.5 Ų29.51%0.00516%0.155CC..Hα-helixtrans-66.2-39.6-179.2-177.461.4000112.5F183 L218 R222 T225 G226 L232 I233 L251 I280F183-L229 HydrophobicContact CE2-CB 4.02Å; F183-L229 HydrophobicContact CE2-CD1 4.13Å; F183-L229 HydrophobicContact CZ-CB 4.49Å; L218-L229 HydrophobicContact CB-CD1 4.32Å; L218-L229 HydrophobicContact CD2-CD1 4.48Å; R222-L229 HydrophobicContact CB-CD2 3.8Å; T225-L229 WeakPolarHBondContact O-CB 3.35Å; T225-L229 PolarHBondContact O-N 3.42Å; G226-L229 PolarHBondContact O-N 3.07Å; L229-L232 HydrophobicContact CD1-CD2 4.5Å; L229-L232 WeakPolarHBondContact O-CB 3.24Å; L229-L232 PolarHBondContact O-N 3.18Å; L229-I233 HydrophobicContact CD1-CD1 4.08Å; L229-I233 HydrophobicContact CD1-CG1 4.19Å; L229-I233 HydrophobicContact CD2-CD1 4.29Å; L229-I233 HydrophobicContact CG-CD1 3.77Å; L229-I233 HydrophobicContact CG-CG1 4.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.44Å; L229-I233 PolarHBondContact O-N 3.28Å; L229-L251 HydrophobicContact CD1-CD2 4.12Å; L229-I280 HydrophobicContact CD2-CD1 4.37Å
230M94.3Very high91.3Very high0 Ų038.1 Ų38.10%020%0.195CC..Hα-helixtrans-61.7-47.6-179.5-72-54.8-52.400114.3G226 L232 I233 C234 F252 I280 H284 I285 Y288 I292G226-M230 WeakPolarHBondContact O-CG 3.28Å; G226-M230 PolarHBondContact O-N 3.47Å; G226-M230 VanDerWaalsContact O-N 3.15Å; M230-L232 VanDerWaalsContact C-N 3.31Å; M230-L232 PolarHBondContact O-N 3.12Å; M230-I233 PolarHBondContact O-N 3.13Å; M230-C234 WeakPolarHBondContact O-CB 3.48Å; M230-C234 PolarHBondContact O-N 2.88Å; M230-C234 PolarHBondContact O-SG 3.31Å; M230-F252 HydrophobicContact CE-CD2 4.48Å; M230-F252 HydrophobicContact CE-CE2 3.82Å; M230-F252 HydrophobicContact CE-CZ 4.49Å; M230-F252 HydrophobicContact SD-CE2 4.17Å; M230-I280 HydrophobicContact CG-CD1 4.09Å; M230-I280 HydrophobicContact SD-CD1 3.79Å; M230-H284 HydrophobicContact CG-CB 4.07Å; M230-H284 WeakPolarHBondContact CG-O 3.42Å; M230-I285 HydrophobicContact SD-CG1 4.29Å; M230-Y288 HydrophobicContact CB-CD2 3.82Å; M230-Y288 HydrophobicContact CB-CE2 3.69Å; M230-Y288 HydrophobicContact CB-CG 4.5Å; M230-Y288 HydrophobicContact CE-CD2 4.48Å; M230-Y288 HydrophobicContact CG-CD2 4.48Å; M230-I292 HydrophobicContact CE-CD1 3.36Å
231P94.1Very high91.1Very high50 Ų5041.7 Ų41.733%0.32521%0.205SC..Hα-helixtrans-54.8-44.7171.8-12.39.4000113.1H227 N228 C234 E235 Y288H227-P231 WeakPolarHBondContact O-CD 3.4Å; H227-P231 WeakPolarHBondContact O-CG 3.35Å; N228-P231 VanDerWaalsContact O-CD 3.32Å; N228-P231 WeakPolarHBondContact O-CD 3.41Å; P231-C234 PolarHBondContact O-N 3.07Å; P231-E235 WeakPolarHBondContact O-CB 3.29Å; P231-E235 PolarHBondContact O-N 2.95Å; P231-Y288 WeakPolarHBondContact CD-OH 3.05Å; P231-Y288 WeakPolarHBondContact CG-OH 3.27Å
232L95.6Very high90.8Very high18 Ų1843.9 Ų43.99%0.09422%0.219CC..Hα-helixtrans-61.2-48.9179.5178.568.1000111.5F183 F190 L229 M230 C234 E235 K236F183-L232 HydrophobicContact CZ-CB 4.28Å; F183-L232 HydrophobicContact CZ-CD2 3.91Å; F190-L232 HydrophobicContact CB-CD2 4.2Å; F190-L232 HydrophobicContact CD1-CD1 4.11Å; F190-L232 HydrophobicContact CD1-CD2 3.82Å; F190-L232 HydrophobicContact CD1-CG 3.83Å; F190-L232 HydrophobicContact CE1-CG 4.44Å; F190-L232 HydrophobicContact CG-CD2 4.26Å; L229-L232 HydrophobicContact CD1-CD2 4.5Å; L229-L232 WeakPolarHBondContact O-CB 3.24Å; L229-L232 PolarHBondContact O-N 3.18Å; M230-L232 VanDerWaalsContact C-N 3.31Å; M230-L232 PolarHBondContact O-N 3.12Å; L232-C234 PolarHBondContact O-N 3.42Å; L232-E235 PolarHBondContact O-N 3.46Å; L232-K236 HydrophobicContact CD1-CG 4.45Å; L232-K236 WeakPolarHBondContact O-CG 3.49Å; L232-K236 PolarHBondContact O-N 3.48Å; L232-K236 VanDerWaalsContact O-N 3.09Å
233I95.6Very high90.4Very high0 Ų047.3 Ų47.30%024%0.237CC..Hα-helixtrans-58.6-48.5177.2-72.2174.6000110.3L229 M230 E235 K236 I237 L251 F252L229-I233 HydrophobicContact CD1-CD1 4.08Å; L229-I233 HydrophobicContact CD1-CG1 4.19Å; L229-I233 HydrophobicContact CD2-CD1 4.29Å; L229-I233 HydrophobicContact CG-CD1 3.77Å; L229-I233 HydrophobicContact CG-CG1 4.3Å; L229-I233 WeakPolarHBondContact O-CG1 3.44Å; L229-I233 PolarHBondContact O-N 3.28Å; M230-I233 PolarHBondContact O-N 3.13Å; I233-E235 PolarHBondContact O-N 2.71Å; I233-K236 PolarHBondContact O-N 3.15Å; I233-I237 HydrophobicContact CG2-CD1 3.48Å; I233-I237 VanDerWaalsContact CG2-CD1 3.48Å; I233-I237 HydrophobicContact CG2-CG1 4.14Å; I233-I237 WeakPolarHBondContact O-CB 3.41Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.33Å; I233-I237 PolarHBondContact O-N 2.71Å; I233-L251 HydrophobicContact CD1-CD2 4.42Å; I233-L251 HydrophobicContact CD1-CG 4.32Å; I233-L251 HydrophobicContact CG1-CD2 4.36Å; I233-F252 HydrophobicContact CD1-CB 4.33Å; I233-F252 HydrophobicContact CD1-CD2 4.24Å; I233-F252 HydrophobicContact CG2-CB 3.78Å; I233-F252 HydrophobicContact CG2-CD2 4.04Å; I233-F252 HydrophobicContact CG2-CG 3.96Å
234C94.3Very high90.5Very high11 Ų1144.3 Ų44.37%0.07422%0.221CC..Hα-helixtrans-57.7-48.6179.6-67.90000111.6M230 P231 L232 K236 I237 E238 Y288M230-C234 WeakPolarHBondContact O-CB 3.48Å; M230-C234 PolarHBondContact O-N 2.88Å; M230-C234 PolarHBondContact O-SG 3.31Å; P231-C234 PolarHBondContact O-N 3.07Å; L232-C234 PolarHBondContact O-N 3.42Å; C234-K236 VanDerWaalsContact C-N 3.32Å; C234-K236 PolarHBondContact O-N 3.31Å; C234-I237 PolarHBondContact O-N 3.09Å; C234-E238 WeakPolarHBondContact O-CB 3.36Å; C234-E238 WeakPolarHBondContact O-CG 3.35Å; C234-E238 PolarHBondContact O-N 3.02Å; C234-Y288 VanDerWaalsContact SG-CD1 3.57Å
235E94.3Very high90.7Very high110 Ų11042.8 Ų42.851%0.51421%0.213SC..Hα-helixtrans-57.3-44178.8-171-159.4129.100111.8P231 L232 I233 E238 S239P231-E235 WeakPolarHBondContact O-CB 3.29Å; P231-E235 PolarHBondContact O-N 2.95Å; L232-E235 PolarHBondContact O-N 3.46Å; I233-E235 PolarHBondContact O-N 2.71Å; E235-E238 PolarHBondContact O-N 3.17Å; E235-S239 PolarHBondContact O-N 3.13Å
236K94.3Very high90.8Very high40 Ų4044.4 Ų44.417%0.17422%0.222CC..Hα-helixtrans-76.1-34.8-177.6-59.5-40.1178.3-167.10113.1F190 L232 I233 C234 E238 S239 A248F190-K236 HydrophobicContact CD1-CG 3.82Å; F190-K236 HydrophobicContact CE1-CB 4.06Å; F190-K236 HydrophobicContact CE1-CG 3.67Å; F190-K236 VanDerWaalsContact O-CE 3.24Å; F190-K236 WeakPolarHBondContact O-CE 3.22Å; L232-K236 HydrophobicContact CD1-CG 4.45Å; L232-K236 WeakPolarHBondContact O-CG 3.49Å; L232-K236 PolarHBondContact O-N 3.48Å; L232-K236 VanDerWaalsContact O-N 3.09Å; I233-K236 PolarHBondContact O-N 3.15Å; C234-K236 VanDerWaalsContact C-N 3.32Å; C234-K236 PolarHBondContact O-N 3.31Å; K236-E238 VanDerWaalsContact C-N 3.31Å; K236-S239 VanDerWaalsContact O-CB 3.31Å; K236-S239 WeakPolarHBondContact O-CB 3.32Å; K236-S239 PolarHBondContact O-N 3.12Å; K236-S239 PolarHBondContact O-OG 3.24Å; K236-A248 HydrophobicContact CB-CB 3.67Å
237I92.6Very high91Very high7 Ų744.7 Ų44.74%0.03622%0.223CC..Hα-helixtrans-63.4-38.9172.2-67.5176.1000110.4I233 C234 S239 Q245 A248 L249 F252 T295 I299I233-I237 HydrophobicContact CG2-CD1 3.48Å; I233-I237 VanDerWaalsContact CG2-CD1 3.48Å; I233-I237 HydrophobicContact CG2-CG1 4.14Å; I233-I237 WeakPolarHBondContact O-CB 3.41Å; I233-I237 VanDerWaalsContact O-CG1 3.27Å; I233-I237 WeakPolarHBondContact O-CG1 3.33Å; I233-I237 PolarHBondContact O-N 2.71Å; C234-I237 PolarHBondContact O-N 3.09Å; I237-S239 VanDerWaalsContact C-N 3.27Å; I237-S239 PolarHBondContact O-N 3.41Å; I237-Q245 PolarHBondContact O-NE2 3.41Å; I237-A248 HydrophobicContact CG1-CB 3.7Å; I237-L249 HydrophobicContact CD1-CD2 3.84Å; I237-L249 HydrophobicContact CD1-CG 4.46Å; I237-L249 HydrophobicContact CG1-CD2 4.11Å; I237-L249 HydrophobicContact CG1-CG 4.26Å; I237-L249 HydrophobicContact CG2-CD2 4.26Å; I237-F252 HydrophobicContact CD1-CB 4.41Å; I237-F252 HydrophobicContact CD1-CD1 4.25Å; I237-F252 HydrophobicContact CD1-CG 4.49Å; I237-T295 HydrophobicContact CG2-CG2 3.55Å; I237-I299 HydrophobicContact CG2-CD1 3.47Å; I237-I299 VanDerWaalsContact CG2-CD1 3.47Å
238E90.6Very high91.3Very high110 Ų11041.7 Ų41.751%0.51421%0.209SC..Hα-helixtrans-73.7-15.8178.1-72.1-177.1166.700114C234 E235 K236 V291 T295C234-E238 WeakPolarHBondContact O-CB 3.36Å; C234-E238 WeakPolarHBondContact O-CG 3.35Å; C234-E238 PolarHBondContact O-N 3.02Å; E235-E238 PolarHBondContact O-N 3.17Å; K236-E238 VanDerWaalsContact C-N 3.31Å; E238-V291 WeakPolarHBondContact OE1-CG1 3.33Å; E238-T295 HydrophobicContact CG-CG2 4.11Å
239S89.5Confident91.3Very high37 Ų3739.7 Ų39.726%0.25920%0.199SC..SBendtrans-62.8157.9179.481.50000112.6E235 K236 I237 W241 Q245E235-S239 PolarHBondContact O-N 3.13Å; K236-S239 VanDerWaalsContact O-CB 3.31Å; K236-S239 WeakPolarHBondContact O-CB 3.32Å; K236-S239 PolarHBondContact O-N 3.12Å; K236-S239 PolarHBondContact O-OG 3.24Å; I237-S239 VanDerWaalsContact C-N 3.27Å; I237-S239 PolarHBondContact O-N 3.41Å; S239-W241 VanDerWaalsContact C-N 3.3Å; S239-Q245 WeakPolarHBondContact O-CG 3.35Å; S239-Q245 PolarHBondContact O-NE2 3.46Å
240Q83.5Confident91.2Very high181 Ų18139.9 Ų39.985%0.84620%0.2SC*.SBendtrans-860.3177.9-62.3-174.75.100113.4P242Q240-P242 WeakPolarHBondContact O-CD 3.36Å
241W86.1Confident91.2Very high95 Ų9539.9 Ų39.936%0.3620%0.2SC..  trans-92.6110-173.7-173.848.6000111.5P191 D193 S239 N243 G244 Q245P191-W241 HydrophobicContact CB-CE3 4.45Å; P191-W241 HydrophobicContact CB-CZ3 3.73Å; P191-W241 HydrophobicContact CG-CE3 3.74Å; P191-W241 HydrophobicContact CG-CZ3 3.38Å; D193-W241 HydrophobicContact CB-CH2 4.07Å; D193-W241 HydrophobicContact CB-CZ2 4.44Å; S239-W241 VanDerWaalsContact C-N 3.3Å; W241-N243 VanDerWaalsContact C-N 3.34Å; W241-N243 HydrophobicContact CD2-CB 4.26Å; W241-N243 HydrophobicContact CH2-CB 3.9Å; W241-N243 HydrophobicContact CZ2-CB 3.62Å; W241-N243 HydrophobicContact CZ3-CB 4.33Å; W241-N243 PolarHBondContact O-N 2.98Å; W241-G244 PolarHBondContact O-N 2.99Å; W241-G244 VanDerWaalsContact O-N 3.08Å; W241-Q245 WeakPolarHBondContact O-CG 3.23Å; W241-Q245 PolarHBondContact O-N 3.48Å
242P84.1Confident91.3Very high47 Ų4737.5 Ų37.531%0.30519%0.185SC..Hα-helixtrans-60.1-37.9-170.4-25.635.2000114.5Q240 Q245 L246Q240-P242 WeakPolarHBondContact O-CD 3.36Å; P242-Q245 PolarHBondContact O-N 3.44Å; P242-L246 WeakPolarHBondContact O-CB 3.35Å; P242-L246 WeakPolarHBondContact O-CG 3.41Å; P242-L246 PolarHBondContact O-N 2.84Å
243N84.7Confident91.2Very high73 Ų7336.7 Ų36.739%0.3918%0.18SC..Hα-helixtrans-68.5-37.2178.5-67.7-7000111.6W241 L246 D247W241-N243 VanDerWaalsContact C-N 3.34Å; W241-N243 HydrophobicContact CD2-CB 4.26Å; W241-N243 HydrophobicContact CH2-CB 3.9Å; W241-N243 HydrophobicContact CZ2-CB 3.62Å; W241-N243 HydrophobicContact CZ3-CB 4.33Å; W241-N243 PolarHBondContact O-N 2.98Å; N243-L246 WeakPolarHBondContact O-CB 3.19Å; N243-L246 PolarHBondContact O-N 2.93Å; N243-D247 VanDerWaalsContact O-CG 3.3Å; N243-D247 PolarHBondContact O-N 3.41Å
244G88.5Confident91.1Very high0 Ų036.8 Ų36.80%018%0.181CC..Hα-helixtrans-67.6-39.2173.400000112.3W241 L246 D247 A248W241-G244 PolarHBondContact O-N 2.99Å; W241-G244 VanDerWaalsContact O-N 3.08Å; G244-L246 VanDerWaalsContact C-N 3.34Å; G244-D247 PolarHBondContact O-N 3.06Å; G244-A248 VanDerWaalsContact O-CB 3.28Å; G244-A248 WeakPolarHBondContact O-CB 3.34Å; G244-A248 PolarHBondContact O-N 3.41Å
245Q91Very high91Very high10 Ų1036.3 Ų36.35%0.04718%0.177CC..Hα-helixtrans-62.9-41.6172.7-66.3-173.5-61.500111.4I237 S239 W241 P242 A248 L249 Y303I237-Q245 PolarHBondContact O-NE2 3.41Å; S239-Q245 WeakPolarHBondContact O-CG 3.35Å; S239-Q245 PolarHBondContact O-NE2 3.46Å; W241-Q245 WeakPolarHBondContact O-CG 3.23Å; W241-Q245 PolarHBondContact O-N 3.48Å; P242-Q245 PolarHBondContact O-N 3.44Å; Q245-A248 PolarHBondContact O-N 2.85Å; Q245-L249 VanDerWaalsContact O-CB 3.3Å; Q245-L249 WeakPolarHBondContact O-CB 3.41Å; Q245-L249 VanDerWaalsContact O-CG 3.26Å; Q245-L249 WeakPolarHBondContact O-CG 3.25Å; Q245-L249 PolarHBondContact O-N 3.39Å; Q245-Y303 PolarHBondContact OE1-OH 2.88Å
246L89.5Confident91Very high36 Ų3631 Ų3119%0.18815%0.153CC..Hα-helixtrans-59.8-51.8175.2-84.4167.8000111.5P242 N243 G244 A248 L249 C250 L312 L315P242-L246 WeakPolarHBondContact O-CB 3.35Å; P242-L246 WeakPolarHBondContact O-CG 3.41Å; P242-L246 PolarHBondContact O-N 2.84Å; N243-L246 WeakPolarHBondContact O-CB 3.19Å; N243-L246 PolarHBondContact O-N 2.93Å; G244-L246 VanDerWaalsContact C-N 3.34Å; L246-A248 VanDerWaalsContact C-N 3.32Å; L246-A248 PolarHBondContact O-N 3.13Å; L246-L249 PolarHBondContact O-N 3.24Å; L246-C250 WeakPolarHBondContact O-CB 3.19Å; L246-C250 PolarHBondContact O-N 2.84Å; L246-C250 PolarHBondContact O-SG 3.24Å; L246-L312 HydrophobicContact CD2-CD1 4.42Å; L246-L312 HydrophobicContact CD2-CD2 3.41Å; L246-L312 VanDerWaalsContact CD2-CD2 3.41Å; L246-L312 HydrophobicContact CD2-CG 3.59Å; L246-L312 HydrophobicContact CG-CD1 4.33Å; L246-L312 HydrophobicContact CG-CD2 3.69Å; L246-L312 HydrophobicContact CG-CG 3.99Å; L246-L315 HydrophobicContact CD2-CD1 4.09Å
247D91.7Very high90.8Very high7 Ų730.4 Ų30.44%0.03715%0.151CC..Hα-helixtrans-60.3-43.6179.1-66.7-9.3000111.1F190 P191 R207 N243 G244 C250 L251 R262F190-D247 HydrophobicContact CE2-CB 4.08Å; F190-D247 HydrophobicContact CZ-CB 4.21Å; P191-D247 HydrophobicContact CB-CB 4.4Å; R207-D247 IonicContact CZ-OD1 2.68Å; R207-D247 IonicContact CZ-OD2 4Å; R207-D247 IonicContact NH1-OD1 2.67Å; R207-D247 IonicContact NH2-OD1 3.07Å; R207-D247 PolarHBondContact NH2-OD1 3.26Å; R207-D247 IonicContact NH2-OD2 3.22Å; R207-D247 PolarHBondContact NH2-OD2 2.93Å; N243-D247 VanDerWaalsContact O-CG 3.3Å; N243-D247 PolarHBondContact O-N 3.41Å; G244-D247 PolarHBondContact O-N 3.06Å; D247-C250 PolarHBondContact O-N 3.45Å; D247-L251 WeakPolarHBondContact O-CB 3.47Å; D247-L251 PolarHBondContact O-N 3.39Å; D247-R262 IonicContact OD1-NH1 3.93Å
248A94.5Very high90.6Very high0 Ų030.2 Ų30.20%015%0.15CC..Hα-helixtrans-67.4-42179.400000113.4F190 K236 I237 G244 Q245 L246 L251 F252F190-A248 HydrophobicContact CE1-CB 4.2Å; F190-A248 HydrophobicContact CZ-CB 4.09Å; K236-A248 HydrophobicContact CB-CB 3.67Å; I237-A248 HydrophobicContact CG1-CB 3.7Å; G244-A248 VanDerWaalsContact O-CB 3.28Å; G244-A248 WeakPolarHBondContact O-CB 3.34Å; G244-A248 PolarHBondContact O-N 3.41Å; Q245-A248 PolarHBondContact O-N 2.85Å; L246-A248 VanDerWaalsContact C-N 3.32Å; L246-A248 PolarHBondContact O-N 3.13Å; A248-L251 PolarHBondContact O-N 3.41Å; A248-F252 VanDerWaalsContact O-CB 3.22Å; A248-F252 WeakPolarHBondContact O-CB 3.48Å; A248-F252 PolarHBondContact O-N 3.01Å
249L93.6Very high90.3Very high0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-68.3-38.7175.9-74.3170.8000112I237 Q245 L246 F252 N253 L296 I299 L312I237-L249 HydrophobicContact CD1-CD2 3.84Å; I237-L249 HydrophobicContact CD1-CG 4.46Å; I237-L249 HydrophobicContact CG1-CD2 4.11Å; I237-L249 HydrophobicContact CG1-CG 4.26Å; I237-L249 HydrophobicContact CG2-CD2 4.26Å; Q245-L249 VanDerWaalsContact O-CB 3.3Å; Q245-L249 WeakPolarHBondContact O-CB 3.41Å; Q245-L249 VanDerWaalsContact O-CG 3.26Å; Q245-L249 WeakPolarHBondContact O-CG 3.25Å; Q245-L249 PolarHBondContact O-N 3.39Å; L246-L249 PolarHBondContact O-N 3.24Å; L249-F252 PolarHBondContact O-N 3.05Å; L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 2.7Å; L249-L296 HydrophobicContact CD2-CD2 3.46Å; L249-L296 VanDerWaalsContact CD2-CD2 3.46Å; L249-I299 HydrophobicContact CD1-CD1 4.2Å; L249-I299 HydrophobicContact CD1-CG2 4.26Å; L249-L312 HydrophobicContact CD1-CD2 3.57Å
250C93Very high89.9Confident6 Ų630.1 Ų30.14%0.04115%0.146CC..Hα-helixtrans-62.4-49.2174.6-680000110.5H215 L246 D247 F252 N253 D254 R262H215-C250 VanDerWaalsContact CE1-C 3.48Å; L246-C250 WeakPolarHBondContact O-CB 3.19Å; L246-C250 PolarHBondContact O-N 2.84Å; L246-C250 PolarHBondContact O-SG 3.24Å; D247-C250 PolarHBondContact O-N 3.45Å; C250-F252 VanDerWaalsContact C-N 3.32Å; C250-F252 PolarHBondContact O-N 2.91Å; C250-N253 PolarHBondContact O-N 3.26Å; C250-D254 PolarHBondContact O-N 3.14Å; C250-R262 PolarHBondContact SG-NH2 2.64Å
251L94.5Very high89.2Confident0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-60.6-44.4178.9178.960000111.1F190 H215 L218 F219 L229 I233 D247 A248 D254 C255F190-L251 HydrophobicContact CE2-CD2 4Å; F190-L251 HydrophobicContact CZ-CD2 3.95Å; H215-L251 WeakPolarHBondContact CE1-CA 3.26Å; H215-L251 PolarHBondContact CE1-N 3.47Å; H215-L251 VanDerWaalsContact CE1-N 3.29Å; L218-L251 HydrophobicContact CB-CD1 4.08Å; L218-L251 HydrophobicContact CB-CD2 3.79Å; L218-L251 HydrophobicContact CD1-CD2 3.77Å; L218-L251 HydrophobicContact CG-CD2 4.45Å; F219-L251 HydrophobicContact CB-CD1 4.03Å; L229-L251 HydrophobicContact CD1-CD2 4.12Å; I233-L251 HydrophobicContact CD1-CD2 4.42Å; I233-L251 HydrophobicContact CD1-CG 4.32Å; I233-L251 HydrophobicContact CG1-CD2 4.36Å; D247-L251 WeakPolarHBondContact O-CB 3.47Å; D247-L251 PolarHBondContact O-N 3.39Å; A248-L251 PolarHBondContact O-N 3.41Å; L251-D254 PolarHBondContact O-N 3.41Å; L251-C255 WeakPolarHBondContact O-CB 3.41Å; L251-C255 PolarHBondContact O-N 2.89Å; L251-C255 PolarHBondContact O-SG 2.93Å
252F95.6Very high87.8Confident0 Ų027.8 Ų27.80%014%0.135CC..Hα-helixtrans-63-46.6178.1-173.8-132.4000112.1M230 I233 I237 A248 L249 C250 D254 C255 L256 I292 C319 L323M230-F252 HydrophobicContact CE-CD2 4.48Å; M230-F252 HydrophobicContact CE-CE2 3.82Å; M230-F252 HydrophobicContact CE-CZ 4.49Å; M230-F252 HydrophobicContact SD-CE2 4.17Å; I233-F252 HydrophobicContact CD1-CB 4.33Å; I233-F252 HydrophobicContact CD1-CD2 4.24Å; I233-F252 HydrophobicContact CG2-CB 3.78Å; I233-F252 HydrophobicContact CG2-CD2 4.04Å; I233-F252 HydrophobicContact CG2-CG 3.96Å; I237-F252 HydrophobicContact CD1-CB 4.41Å; I237-F252 HydrophobicContact CD1-CD1 4.25Å; I237-F252 HydrophobicContact CD1-CG 4.49Å; A248-F252 VanDerWaalsContact O-CB 3.22Å; A248-F252 WeakPolarHBondContact O-CB 3.48Å; A248-F252 PolarHBondContact O-N 3.01Å; L249-F252 PolarHBondContact O-N 3.05Å; C250-F252 VanDerWaalsContact C-N 3.32Å; C250-F252 PolarHBondContact O-N 2.91Å; F252-D254 PolarHBondContact O-N 2.86Å; F252-C255 PolarHBondContact O-N 3.15Å; F252-L256 HydrophobicContact CD1-CD1 3.82Å; F252-L256 HydrophobicContact CD2-CD1 4.22Å; F252-L256 HydrophobicContact CD2-CG 4.07Å; F252-L256 HydrophobicContact CE1-CD1 3.51Å; F252-L256 HydrophobicContact CE1-CG 4.3Å; F252-L256 HydrophobicContact CE2-CD1 3.92Å; F252-L256 HydrophobicContact CE2-CD2 3.83Å; F252-L256 HydrophobicContact CE2-CG 3.78Å; F252-L256 HydrophobicContact CG-CD1 4.17Å; F252-L256 HydrophobicContact CG-CG 4.44Å; F252-L256 HydrophobicContact CZ-CD1 3.56Å; F252-L256 HydrophobicContact CZ-CD2 3.9Å; F252-L256 HydrophobicContact CZ-CG 3.91Å; F252-L256 WeakPolarHBondContact O-CB 3.32Å; F252-L256 VanDerWaalsContact O-CG 3.24Å; F252-L256 WeakPolarHBondContact O-CG 3.21Å; F252-L256 PolarHBondContact O-N 3.27Å; F252-I292 HydrophobicContact CE1-CG2 3.54Å; F252-I292 HydrophobicContact CE2-CD1 4.32Å; F252-I292 HydrophobicContact CZ-CD1 3.86Å; F252-I292 HydrophobicContact CZ-CG2 3.78Å; F252-C319 HydrophobicContact CD1-CB 4.15Å; F252-C319 HydrophobicContact CE1-CB 4.27Å; F252-L323 HydrophobicContact CZ-CD2 4.04Å; F252-L323 HydrophobicContact CZ-CG 4.39Å
253N94.2Very high86.2Confident0 Ų028.2 Ų28.20%014%0.139CC..Hα-helixtrans-56.5-49.4176.3179.676.3000111.7L249 C250 C255 L256 H257 Q261 S318L249-N253 WeakPolarHBondContact O-CB 3.32Å; L249-N253 PolarHBondContact O-N 2.7Å; C250-N253 PolarHBondContact O-N 3.26Å; N253-C255 VanDerWaalsContact C-N 3.33Å; N253-C255 PolarHBondContact O-N 3.01Å; N253-L256 PolarHBondContact O-N 3.4Å; N253-H257 PolarHBondContact O-CD2 3Å; N253-H257 VanDerWaalsContact O-CD2 3.25Å; N253-H257 PolarHBondContact O-N 3.47Å; N253-H257 PolarHBondContact OD1-CD2 2.92Å; N253-Q261 PolarHBondContact ND2-NE2 2.91Å; N253-S318 VanDerWaalsContact OD1-CB 3.23Å; N253-S318 WeakPolarHBondContact OD1-CB 3.26Å; N253-S318 PolarHBondContact OD1-OG 3.2Å
254D92.5Very high84.5Confident3 Ų328.5 Ų28.52%0.01614%0.141CC..Hα-helixtrans-62.8-42.7179.8-71.92.2000110.7H215 F219 C250 L251 F252 L256 H257 G258 Q259 Q261H215-D254 IonicContact CD2-OD2 2.98Å; H215-D254 IonicContact CE1-OD2 3.45Å; H215-D254 PolarHBondContact CE1-OD2 2.83Å; H215-D254 IonicContact NE2-OD2 3.68Å; H215-D254 PolarHBondContact NE2-OD2 3.5Å; F219-D254 HydrophobicContact CD2-CB 4.03Å; F219-D254 HydrophobicContact CE2-CB 4.12Å; F219-D254 WeakPolarHBondContact CE2-O 3.31Å; C250-D254 PolarHBondContact O-N 3.14Å; L251-D254 PolarHBondContact O-N 3.41Å; F252-D254 PolarHBondContact O-N 2.86Å; D254-L256 VanDerWaalsContact C-N 3.33Å; D254-L256 PolarHBondContact O-N 3.4Å; D254-H257 PolarHBondContact O-N 3.17Å; D254-G258 WeakPolarHBondContact O-CA 3.5Å; D254-G258 PolarHBondContact O-N 3.37Å; D254-Q259 VanDerWaalsContact CA-O 3.26Å; D254-Q259 WeakPolarHBondContact CA-O 3.48Å; D254-Q259 VanDerWaalsContact CB-O 3.23Å; D254-Q259 WeakPolarHBondContact CB-O 3.26Å; D254-Q259 PolarHBondContact O-N 3.34Å; D254-Q259 VanDerWaalsContact O-N 3.09Å; D254-Q261 PolarHBondContact OD1-N 2.97Å; D254-Q261 PolarHBondContact OD2-N 3.44Å
255C93.7Very high82.4Confident0 Ų032.3 Ų32.30%018%0.18CC..Hα-helixtrans-60.5-39.4174.8-700000112.9L251 F252 N253 P279 I280L251-C255 WeakPolarHBondContact O-CB 3.41Å; L251-C255 PolarHBondContact O-N 2.89Å; L251-C255 PolarHBondContact O-SG 2.93Å; F252-C255 PolarHBondContact O-N 3.15Å; N253-C255 VanDerWaalsContact C-N 3.33Å; N253-C255 PolarHBondContact O-N 3.01Å; C255-P279 CarbonylContact O-C 2.97Å; C255-P279 VanDerWaalsContact O-CA 3.32Å; C255-P279 WeakPolarHBondContact O-CA 3.26Å; C255-I280 HydrophobicContact CB-CB 4.25Å; C255-I280 HydrophobicContact CB-CG2 4.13Å; C255-I280 PolarHBondContact O-N 2.86Å
256L93.7Very high80.5Confident0 Ų034.5 Ų34.50%019%0.192CC..Hα-helixtrans-71.5-35.3-179.3-74.5172.8000113.5F252 N253 D254 P279 I285 C319 L323F252-L256 HydrophobicContact CD1-CD1 3.82Å; F252-L256 HydrophobicContact CD2-CD1 4.22Å; F252-L256 HydrophobicContact CD2-CG 4.07Å; F252-L256 HydrophobicContact CE1-CD1 3.51Å; F252-L256 HydrophobicContact CE1-CG 4.3Å; F252-L256 HydrophobicContact CE2-CD1 3.92Å; F252-L256 HydrophobicContact CE2-CD2 3.83Å; F252-L256 HydrophobicContact CE2-CG 3.78Å; F252-L256 HydrophobicContact CG-CD1 4.17Å; F252-L256 HydrophobicContact CG-CG 4.44Å; F252-L256 HydrophobicContact CZ-CD1 3.56Å; F252-L256 HydrophobicContact CZ-CD2 3.9Å; F252-L256 HydrophobicContact CZ-CG 3.91Å; F252-L256 WeakPolarHBondContact O-CB 3.32Å; F252-L256 VanDerWaalsContact O-CG 3.24Å; F252-L256 WeakPolarHBondContact O-CG 3.21Å; F252-L256 PolarHBondContact O-N 3.27Å; N253-L256 PolarHBondContact O-N 3.4Å; D254-L256 VanDerWaalsContact C-N 3.33Å; D254-L256 PolarHBondContact O-N 3.4Å; L256-P279 WeakPolarHBondContact O-CB 3.4Å; L256-I285 HydrophobicContact CD2-CD1 3.83Å; L256-C319 HydrophobicContact CD1-CB 4.16Å; L256-C319 VanDerWaalsContact CD1-O 3.26Å; L256-C319 WeakPolarHBondContact CD1-O 3.22Å; L256-L323 HydrophobicContact CD1-CD2 4.39Å; L256-L323 HydrophobicContact CD1-CG 3.97Å; L256-L323 HydrophobicContact CD2-CD2 3.7Å; L256-L323 HydrophobicContact CD2-CG 4.09Å
257H90Very high78.6Confident27 Ų2737.8 Ų37.813%0.12521%0.21CC..Hα-helixtrans-89.6-12.6177.5-69.9-72.4000112.7N253 D254 Q259 S318 G322N253-H257 PolarHBondContact O-CD2 3Å; N253-H257 VanDerWaalsContact O-CD2 3.25Å; N253-H257 PolarHBondContact O-N 3.47Å; N253-H257 PolarHBondContact OD1-CD2 2.92Å; D254-H257 PolarHBondContact O-N 3.17Å; H257-Q259 HydrophobicContact CB-CB 4.4Å; H257-Q259 PolarHBondContact O-N 3.28Å; H257-S318 PolarHBondContact NE2-O 3.22Å; H257-S318 VanDerWaalsContact NE2-O 3.12Å; H257-G322 WeakPolarHBondContact CE1-CA 3.46Å; H257-G322 PolarHBondContact CE1-N 3.44Å; H257-G322 WeakPolarHBondContact NE2-CA 3.5Å
258G87.7Confident76.7Confident2 Ų243.4 Ų43.42%0.02124%0.24CC..THydrogen-bonded Turntrans65.324.3-171.600000112.5D254 K277 N278D254-G258 WeakPolarHBondContact O-CA 3.5Å; D254-G258 PolarHBondContact O-N 3.37Å; G258-K277 VanDerWaalsContact O-CA 3.31Å; G258-K277 WeakPolarHBondContact O-CA 3.1Å; G258-N278 WeakPolarHBondContact CA-O 3.39Å
259Q84.1Confident75Confident105 Ų10543.9 Ų43.949%0.49124%0.242SC..  trans-133.6124.8-173-68.4179.11100110.2D254 H257 Q261D254-Q259 VanDerWaalsContact CA-O 3.26Å; D254-Q259 WeakPolarHBondContact CA-O 3.48Å; D254-Q259 VanDerWaalsContact CB-O 3.23Å; D254-Q259 WeakPolarHBondContact CB-O 3.26Å; D254-Q259 PolarHBondContact O-N 3.34Å; D254-Q259 VanDerWaalsContact O-N 3.09Å; H257-Q259 HydrophobicContact CB-CB 4.4Å; H257-Q259 PolarHBondContact O-N 3.28Å; Q259-Q261 PolarHBondContact O-N 3.21Å
260L80.9Confident73.1Confident40 Ų4045.2 Ų45.221%0.20925%0.252CS..  trans-77.4110.3174.1-172.676.1000109.6H215 Q216 F219 R262 L273H215-L260 VanDerWaalsContact CD2-CD1 3.44Å; H215-L260 WeakPolarHBondContact CD2-CD1 3.47Å; Q216-L260 HydrophobicContact CG-CD1 4.31Å; Q216-L260 HydrophobicContact CG-CD2 3.89Å; F219-L260 HydrophobicContact CD1-CD1 4.34Å; F219-L260 HydrophobicContact CE1-CB 4.25Å; F219-L260 HydrophobicContact CG-CD1 4.45Å; L260-R262 WeakPolarHBondContact CD2-O 3.43Å; L260-R262 WeakPolarHBondContact CG-O 3.43Å; L260-L273 HydrophobicContact CD2-CD1 4.01Å
261Q68.9Low71.4Confident120 Ų12050.9 Ų50.956%0.56128%0.278SS*.  trans-87-28.8176.3-63.4-171.57.500112.3N253 D254 Q259N253-Q261 PolarHBondContact ND2-NE2 2.91Å; D254-Q261 PolarHBondContact OD1-N 2.97Å; D254-Q261 PolarHBondContact OD2-N 3.44Å; Q259-Q261 PolarHBondContact O-N 3.21Å
262R57.5Low69.6Low107 Ų10752.5 Ų52.540%0.40429%0.288SS..  trans-96.296.1174.9-74-173.8175.4-177.1-0.6110.4D247 C250 L260D247-R262 IonicContact OD1-NH1 3.93Å; C250-R262 PolarHBondContact SG-NH2 2.64Å; L260-R262 WeakPolarHBondContact CD2-O 3.43Å; L260-R262 WeakPolarHBondContact CG-O 3.43Å
263S50.4Low67.9Low56 Ų5653.2 Ų53.239%0.39229%0.291SS..  trans-117.8118.2164.7-170.40000108.8S270S263-S270 WeakPolarHBondContact OG-CB 3.33Å
264D49.2Very low66.3Low79 Ų7956.3 Ų56.342%0.42231%0.313SS..  trans-66.1146.8157.2-69.6-48.2000108.4S212 D266S212-D264 WeakPolarHBondContact CB-OD2 3.25Å; S212-D264 PolarHBondContact OG-OD2 3.22Å; D264-D266 PolarHBondContact O-N 2.86Å
265G43.8Very low64.6Low81 Ų8162.5 Ų62.584%0.83535%0.345SS*.SBendtrans-67.546-168.300000116.6
266D50.6Low63.5Low56 Ų5665.3 Ų65.330%0.29936%0.36SS..  trans-99.595.1169.6-153.2-29.1000109.3R163 D264 N268 I269 S270R163-D266 IonicContact CZ-OD2 2.65Å; R163-D266 IonicContact NH1-OD2 3.62Å; R163-D266 PolarHBondContact NH1-OD2 3.4Å; R163-D266 IonicContact NH2-OD1 2.84Å; R163-D266 IonicContact NH2-OD2 3.94Å; R163-D266 PolarHBondContact NH2-OD2 3.17Å; D264-D266 PolarHBondContact O-N 2.86Å; D266-N268 PolarHBondContact O-N 2.8Å; D266-N268 VanDerWaalsContact O-N 3.13Å; D266-I269 PolarHBondContact O-N 3.4Å; D266-S270 PolarHBondContact O-N 3.42Å; D266-S270 PolarHBondContact O-OG 3.28Å
267D49.8Very low62.8Low105 Ų10571.7 Ų71.756%0.56139%0.388SS*.Hα-helixtrans-55.4-31.5-173.3-68.9-25.8000112.9I269 S270 H271D267-I269 PolarHBondContact O-N 2.96Å; D267-S270 WeakPolarHBondContact CA-OG 3.5Å; D267-S270 PolarHBondContact O-OG 2.98Å; D267-S270 VanDerWaalsContact O-OG 3.12Å; D267-H271 WeakPolarHBondContact O-CB 3.42Å; D267-H271 PolarHBondContact O-CD2 3.44Å; D267-H271 PolarHBondContact O-N 3.18Å
268N53.1Low62.5Low125 Ų12574.8 Ų74.867%0.66841%0.406SS*.Hα-helixtrans-69.5-33.2-173.5-71-25.7000113.4D266 V272D266-N268 PolarHBondContact O-N 2.8Å; D266-N268 VanDerWaalsContact O-N 3.13Å; N268-V272 WeakPolarHBondContact O-CG2 3.3Å
269I57.8Low62.6Low9 Ų975 Ų755%0.04641%0.407CS..Hα-helixtrans-93.8-34179.2-58.8174.4000110.8R163 V166 D266 D267 H271 V272 L273R163-I269 HydrophobicContact CB-CD1 3.76Å; R163-I269 HydrophobicContact CG-CD1 3.6Å; V166-I269 HydrophobicContact CB-CG2 4.38Å; V166-I269 HydrophobicContact CG1-CG2 3.89Å; D266-I269 PolarHBondContact O-N 3.4Å; D267-I269 PolarHBondContact O-N 2.96Å; I269-H271 VanDerWaalsContact C-N 3.3Å; I269-H271 PolarHBondContact O-N 3.49Å; I269-V272 WeakPolarHBondContact O-CB 3.42Å; I269-V272 PolarHBondContact O-N 3.13Å; I269-L273 HydrophobicContact CG2-CD1 4.1Å; I269-L273 HydrophobicContact CG2-CG 4.45Å; I269-L273 PolarHBondContact O-N 3.27Å; I269-L273 VanDerWaalsContact O-N 3.08Å
270S54.7Low63Low29 Ų2970 Ų7020%0.20338%0.383CS..Hα-helixtrans-60.8-40.9178.269.80000111.4S263 D266 D267 V272 L273 S274S263-S270 WeakPolarHBondContact OG-CB 3.33Å; D266-S270 PolarHBondContact O-N 3.42Å; D266-S270 PolarHBondContact O-OG 3.28Å; D267-S270 WeakPolarHBondContact CA-OG 3.5Å; D267-S270 PolarHBondContact O-OG 2.98Å; D267-S270 VanDerWaalsContact O-OG 3.12Å; S270-V272 VanDerWaalsContact C-N 3.31Å; S270-V272 PolarHBondContact O-N 2.94Å; S270-L273 PolarHBondContact O-N 3.23Å; S270-S274 VanDerWaalsContact O-CB 3.24Å; S270-S274 WeakPolarHBondContact O-CB 3.27Å; S270-S274 PolarHBondContact O-N 3.46Å; S270-S274 PolarHBondContact O-OG 2.9Å
271H56.1Low63.5Low124 Ų12470 Ų7057%0.57438%0.384SS*.Hα-helixtrans-59.9-39.9172.4-78.9-54.6000112.7D267 I269 S274D267-H271 WeakPolarHBondContact O-CB 3.42Å; D267-H271 PolarHBondContact O-CD2 3.44Å; D267-H271 PolarHBondContact O-N 3.18Å; I269-H271 VanDerWaalsContact C-N 3.3Å; I269-H271 PolarHBondContact O-N 3.49Å; H271-S274 PolarHBondContact O-OG 3.09Å
272V57.6Low64.5Low35 Ų3565 Ų6521%0.21236%0.36CS..Hα-helixtrans-64.6-43.7-178.8169.90000111.6V166 K170 N268 I269 S270V166-V272 HydrophobicContact CG1-CG1 4.2Å; K170-V272 HydrophobicContact CD-CG1 3.43Å; K170-V272 VanDerWaalsContact CD-CG1 3.43Å; N268-V272 WeakPolarHBondContact O-CG2 3.3Å; I269-V272 WeakPolarHBondContact O-CB 3.42Å; I269-V272 PolarHBondContact O-N 3.13Å; S270-V272 VanDerWaalsContact C-N 3.31Å; S270-V272 PolarHBondContact O-N 2.94Å
273L59.8Low66.1Low15 Ų1568.6 Ų68.68%0.07937%0.374CS..Hα-helixtrans-79.7-29.4-179.6-67.6172000113.4V166 Q216 F219 A220 L260 I269 S270 L275 D276V166-L273 HydrophobicContact CG1-CD1 4.28Å; V166-L273 HydrophobicContact CG1-CD2 3.69Å; V166-L273 HydrophobicContact CG1-CG 3.94Å; Q216-L273 HydrophobicContact CB-CD1 3.76Å; Q216-L273 HydrophobicContact CG-CD1 3.77Å; F219-L273 HydrophobicContact CD1-CD2 4.35Å; A220-L273 HydrophobicContact CB-CD2 3.81Å; L260-L273 HydrophobicContact CD2-CD1 4.01Å; I269-L273 HydrophobicContact CG2-CD1 4.1Å; I269-L273 HydrophobicContact CG2-CG 4.45Å; I269-L273 PolarHBondContact O-N 3.27Å; I269-L273 VanDerWaalsContact O-N 3.08Å; S270-L273 PolarHBondContact O-N 3.23Å; L273-L275 PolarHBondContact O-N 2.7Å; L273-L275 VanDerWaalsContact O-N 3.11Å; L273-D276 PolarHBondContact O-N 2.91Å
274S59.4Low68.1Low64 Ų6468 Ų6845%0.44837%0.365SS..THydrogen-bonded Turntrans-64.2-15.4-176.169.30000115.3S270 H271S270-S274 VanDerWaalsContact O-CB 3.24Å; S270-S274 WeakPolarHBondContact O-CB 3.27Å; S270-S274 PolarHBondContact O-N 3.46Å; S270-S274 PolarHBondContact O-OG 2.9Å; H271-S274 PolarHBondContact O-OG 3.09Å
275L58.3Low70.1Confident133 Ų13364.2 Ų64.270%0.69634%0.344SS*.THydrogen-bonded Turntrans-79.9-34.4-178.7-73162.2000112.9L273 K277L273-L275 PolarHBondContact O-N 2.7Å; L273-L275 VanDerWaalsContact O-N 3.11Å; L275-K277 PolarHBondContact O-N 3.39Å
276D71Confident72.4Confident59 Ų5962.7 Ų62.732%0.31632%0.321SS..  trans-92.887.6-178.6-168.2-8.8000110.3R222 N223 L273 N278R222-D276 PolarHBondContact NH2-O 3.47Å; R222-D276 IonicContact NH2-OD1 3.86Å; N223-D276 PolarHBondContact ND2-OD2 2.89Å; L273-D276 PolarHBondContact O-N 2.91Å; D276-N278 PolarHBondContact O-N 3.23Å; D276-N278 WeakPolarHBondContact OD1-CB 3.33Å; D276-N278 PolarHBondContact OD1-N 3.26Å; D276-N278 PolarHBondContact OD1-ND2 3.44Å
277K77.6Confident74.4Confident135 Ų13564.7 Ų64.759%0.58734%0.337SS*.  trans-8611.3179.7-63.8-174.5179.6-179.40113.9G258 L275G258-K277 VanDerWaalsContact O-CA 3.31Å; G258-K277 WeakPolarHBondContact O-CA 3.1Å; L275-K277 PolarHBondContact O-N 3.39Å
278N84.2Confident76.5Confident92 Ų9262.9 Ų62.949%0.49232%0.323SS..PPolyproline II helixtrans-75.6130.2-177.6-63.1-54.5000110.4R222 G258 D276R222-N278 PolarHBondContact NE-O 3.35Å; R222-N278 VanDerWaalsContact NE-O 3.07Å; R222-N278 PolarHBondContact NH2-O 3.24Å; G258-N278 WeakPolarHBondContact CA-O 3.39Å; D276-N278 PolarHBondContact O-N 3.23Å; D276-N278 WeakPolarHBondContact OD1-CB 3.33Å; D276-N278 PolarHBondContact OD1-N 3.26Å; D276-N278 PolarHBondContact OD1-ND2 3.44Å
279P89.3Confident78.4Confident7 Ų757.1 Ų57.15%0.04529%0.292CS..PPolyproline II helixtrans-64.4156.4167.529-35.5000110.9C255 L256 A326 Q330C255-P279 CarbonylContact O-C 2.97Å; C255-P279 VanDerWaalsContact O-CA 3.32Å; C255-P279 WeakPolarHBondContact O-CA 3.26Å; L256-P279 WeakPolarHBondContact O-CB 3.4Å; P279-A326 HydrophobicContact CB-CB 4.2Å; P279-Q330 HydrophobicContact CG-CG 4.17Å; P279-Q330 VanDerWaalsContact CG-NE2 3.32Å
280I92.1Very high79.9Confident0 Ų059.1 Ų59.10%032%0.315CS..PPolyproline II helixtrans-56.5140.3172.9-171.9175.3000110.4R222 L229 M230 C255 I282 I285 Q330R222-I280 HydrophobicContact CB-CB 4.48Å; R222-I280 HydrophobicContact CB-CD1 4.44Å; R222-I280 HydrophobicContact CB-CG1 4.4Å; L229-I280 HydrophobicContact CD2-CD1 4.37Å; M230-I280 HydrophobicContact CG-CD1 4.09Å; M230-I280 HydrophobicContact SD-CD1 3.79Å; C255-I280 HydrophobicContact CB-CB 4.25Å; C255-I280 HydrophobicContact CB-CG2 4.13Å; C255-I280 PolarHBondContact O-N 2.86Å; I280-I282 PolarHBondContact O-N 2.98Å; I280-I285 HydrophobicContact CG2-CD1 3.46Å; I280-I285 VanDerWaalsContact CG2-CD1 3.46Å; I280-I285 HydrophobicContact CG2-CG1 3.78Å; I280-Q330 PolarHBondContact O-NE2 3Å
281D91.3Very high81.6Confident40 Ų4060.6 Ų60.621%0.21432%0.322CS..PPolyproline II helixtrans-58.8128.9-175.6-167.8-47.6000111.7R283 H284D281-R283 VanDerWaalsContact CG-NE 3.33Å; D281-R283 PolarHBondContact O-N 2.78Å; D281-R283 VanDerWaalsContact O-N 3.11Å; D281-R283 VanDerWaalsContact OD1-CB 3.23Å; D281-R283 WeakPolarHBondContact OD1-CB 3.26Å; D281-R283 WeakPolarHBondContact OD1-CG 3.23Å; D281-R283 PolarHBondContact OD1-N 3.03Å; D281-R283 IonicContact OD1-NE 2.88Å; D281-R283 PolarHBondContact OD1-NE 3.48Å; D281-R283 VanDerWaalsContact OD1-NE 3.11Å; D281-R283 IonicContact OD2-CZ 3.14Å; D281-R283 IonicContact OD2-NE 3.73Å; D281-R283 PolarHBondContact OD2-NE 3.03Å; D281-R283 IonicContact OD2-NH2 2.63Å; D281-R283 PolarHBondContact OD2-NH2 3.35Å; D281-H284 PolarHBondContact O-N 2.84Å
282I91.7Very high83.4Confident13 Ų1355 Ų557%0.06730%0.297CS..Hα-helixtrans-55.8-29.6178.558.1171.8000112.8I280 H284 I285 S286 Q330 T331I280-I282 PolarHBondContact O-N 2.98Å; I282-H284 PolarHBondContact O-N 2.87Å; I282-H284 VanDerWaalsContact O-N 3.15Å; I282-I285 PolarHBondContact O-N 2.7Å; I282-S286 WeakPolarHBondContact O-CB 3.08Å; I282-S286 PolarHBondContact O-N 2.96Å; I282-S286 PolarHBondContact O-OG 3.49Å; I282-Q330 HydrophobicContact CD1-CB 4.25Å; I282-Q330 HydrophobicContact CG1-CB 4.37Å; I282-Q330 HydrophobicContact CG2-CB 4.1Å; I282-Q330 HydrophobicContact CG2-CG 4.44Å; I282-T331 HydrophobicContact CD1-CG2 3.67Å
283R90.3Very high85.1Confident183 Ų18353.3 Ų53.369%0.69129%0.286SS*.Hα-helixtrans-59.1-28177.5-65.2176.7-67.6171.61.7112.6D281 P287D281-R283 VanDerWaalsContact CG-NE 3.33Å; D281-R283 PolarHBondContact O-N 2.78Å; D281-R283 VanDerWaalsContact O-N 3.11Å; D281-R283 VanDerWaalsContact OD1-CB 3.23Å; D281-R283 WeakPolarHBondContact OD1-CB 3.26Å; D281-R283 WeakPolarHBondContact OD1-CG 3.23Å; D281-R283 PolarHBondContact OD1-N 3.03Å; D281-R283 IonicContact OD1-NE 2.88Å; D281-R283 PolarHBondContact OD1-NE 3.48Å; D281-R283 VanDerWaalsContact OD1-NE 3.11Å; D281-R283 IonicContact OD2-CZ 3.14Å; D281-R283 IonicContact OD2-NE 3.73Å; D281-R283 PolarHBondContact OD2-NE 3.03Å; D281-R283 IonicContact OD2-NH2 2.63Å; D281-R283 PolarHBondContact OD2-NH2 3.35Å; R283-P287 WeakPolarHBondContact O-CD 3.15Å
284H92.1Very high86.6Confident43 Ų4355.2 Ų55.220%0.19930%0.3CS..Hα-helixtrans-85.4-30.2175.1-58.5-49.9000112.3H227 M230 D281 I282 Y288H227-H284 PolarHBondContact N-ND1 3.06Å; M230-H284 HydrophobicContact CG-CB 4.07Å; M230-H284 WeakPolarHBondContact CG-O 3.42Å; D281-H284 PolarHBondContact O-N 2.84Å; I282-H284 PolarHBondContact O-N 2.87Å; I282-H284 VanDerWaalsContact O-N 3.15Å; H284-Y288 VanDerWaalsContact O-CD2 3.24Å; H284-Y288 WeakPolarHBondContact O-CD2 3.48Å
285I91.7Very high88.1Confident0 Ų053.2 Ų53.20%029%0.285CS..Hα-helixtrans-81.3-44-178.9-56.5160000112M230 L256 I280 I282 P287 Y288 L289 L323M230-I285 HydrophobicContact SD-CG1 4.29Å; L256-I285 HydrophobicContact CD2-CD1 3.83Å; I280-I285 HydrophobicContact CG2-CD1 3.46Å; I280-I285 VanDerWaalsContact CG2-CD1 3.46Å; I280-I285 HydrophobicContact CG2-CG1 3.78Å; I282-I285 PolarHBondContact O-N 2.7Å; I285-P287 VanDerWaalsContact C-N 3.32Å; I285-P287 VanDerWaalsContact O-N 3.16Å; I285-Y288 PolarHBondContact O-N 3.11Å; I285-L289 HydrophobicContact CG2-CD2 3.89Å; I285-L289 HydrophobicContact CG2-CG 4.46Å; I285-L289 PolarHBondContact O-N 3.31Å; I285-L323 HydrophobicContact CG2-CD2 3.59Å
286S91.4Very high89.8Confident50 Ų5046.9 Ų46.935%0.3525%0.252SS..G310 helixtrans-51-41.4-170.3-60.20000114.1I282 Y288 L289I282-S286 WeakPolarHBondContact O-CB 3.08Å; I282-S286 PolarHBondContact O-N 2.96Å; I282-S286 PolarHBondContact O-OG 3.49Å; S286-Y288 PolarHBondContact O-N 2.74Å; S286-L289 PolarHBondContact O-N 2.72Å
287P93.1Very high90.6Very high97 Ų9744.8 Ų44.863%0.6324%0.241SC*.G310 helixtrans-62.4-25.2176.7-23.335.2000114.5R283 I285R283-P287 WeakPolarHBondContact O-CD 3.15Å; I285-P287 VanDerWaalsContact C-N 3.32Å; I285-P287 VanDerWaalsContact O-N 3.16Å
288Y93.5Very high91.1Very high68 Ų6845.8 Ų45.827%0.26725%0.245SC..G310 helixtrans-99.6-4.6-175.2-62.7-87.5000113.7M230 P231 C234 H284 I285 S286 G290 V291 I292M230-Y288 HydrophobicContact CB-CD2 3.82Å; M230-Y288 HydrophobicContact CB-CE2 3.69Å; M230-Y288 HydrophobicContact CB-CG 4.5Å; M230-Y288 HydrophobicContact CE-CD2 4.48Å; M230-Y288 HydrophobicContact CG-CD2 4.48Å; P231-Y288 WeakPolarHBondContact CD-OH 3.05Å; P231-Y288 WeakPolarHBondContact CG-OH 3.27Å; C234-Y288 VanDerWaalsContact SG-CD1 3.57Å; H284-Y288 VanDerWaalsContact O-CD2 3.24Å; H284-Y288 WeakPolarHBondContact O-CD2 3.48Å; I285-Y288 PolarHBondContact O-N 3.11Å; S286-Y288 PolarHBondContact O-N 2.74Å; Y288-G290 PolarHBondContact O-N 2.89Å; Y288-V291 WeakPolarHBondContact O-CA 3.1Å; Y288-V291 PolarHBondContact O-N 2.73Å; Y288-I292 WeakPolarHBondContact O-CG1 3.37Å; Y288-I292 PolarHBondContact O-N 3.21Å
289L92.6Very high91.2Very high3 Ų341.7 Ų41.72%0.01622%0.223CC..Hα-helixtrans-54.1-39.8-178.9-69.3172.1000112.9I285 S286 V291 I293 L323 F340 I343I285-L289 HydrophobicContact CG2-CD2 3.89Å; I285-L289 HydrophobicContact CG2-CG 4.46Å; I285-L289 PolarHBondContact O-N 3.31Å; S286-L289 PolarHBondContact O-N 2.72Å; L289-V291 PolarHBondContact O-N 2.71Å; L289-I293 HydrophobicContact CB-CD1 4.31Å; L289-I293 HydrophobicContact CD2-CD1 4.19Å; L289-I293 WeakPolarHBondContact O-CG1 3.37Å; L289-I293 PolarHBondContact O-N 2.85Å; L289-L323 HydrophobicContact CD2-CD2 3.86Å; L289-F340 HydrophobicContact CD1-CD2 3.77Å; L289-F340 HydrophobicContact CD1-CE2 4.47Å; L289-F340 HydrophobicContact CD2-CD2 4.25Å; L289-F340 HydrophobicContact CD2-CE2 4.14Å; L289-I343 HydrophobicContact CB-CG2 3.86Å; L289-I343 HydrophobicContact CD1-CD1 4.31Å
290G89.3Confident91Very high51 Ų5141.3 Ų41.353%0.52622%0.221SC..Hα-helixtrans-66.5-13.3177.900000114.7Y288 P294Y288-G290 PolarHBondContact O-N 2.89Å; G290-P294 WeakPolarHBondContact O-CG 3.31Å
291V91.6Very high90.5Very high60 Ų6045.5 Ų45.536%0.36424%0.243SC..Hα-helixtrans-105.3-48.4176.7178.20000110.4E238 Y288 L289 P294 T295E238-V291 WeakPolarHBondContact OE1-CG1 3.33Å; Y288-V291 WeakPolarHBondContact O-CA 3.1Å; Y288-V291 PolarHBondContact O-N 2.73Å; L289-V291 PolarHBondContact O-N 2.71Å; V291-P294 WeakPolarHBondContact O-CD 3.41Å; V291-T295 WeakPolarHBondContact O-CB 3.35Å; V291-T295 PolarHBondContact O-N 3.24Å; V291-T295 VanDerWaalsContact O-N 3.14Å; V291-T295 PolarHBondContact O-OG1 3.34Å
292I93.8Very high90.1Very high6 Ų649.5 Ų49.53%0.03126%0.258CS..Hα-helixtrans-62.4-51.6-174.5-68.8168000111.4M230 F252 Y288 T295 L296 L323M230-I292 HydrophobicContact CE-CD1 3.36Å; F252-I292 HydrophobicContact CE1-CG2 3.54Å; F252-I292 HydrophobicContact CE2-CD1 4.32Å; F252-I292 HydrophobicContact CZ-CD1 3.86Å; F252-I292 HydrophobicContact CZ-CG2 3.78Å; Y288-I292 WeakPolarHBondContact O-CG1 3.37Å; Y288-I292 PolarHBondContact O-N 3.21Å; I292-T295 PolarHBondContact O-N 2.98Å; I292-T295 VanDerWaalsContact O-N 3.16Å; I292-L296 HydrophobicContact CG2-CD1 3.87Å; I292-L296 HydrophobicContact CG2-CG 4.17Å; I292-L296 WeakPolarHBondContact O-CG 3.25Å; I292-L296 PolarHBondContact O-N 3.35Å; I292-L323 HydrophobicContact CG2-CD1 4.17Å
293I92.7Very high89.5Confident0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-63.4-48.5-173-58.8167.6000110.7L289 T295 L296 I297 I320 L323 I343 L344 F348L289-I293 HydrophobicContact CB-CD1 4.31Å; L289-I293 HydrophobicContact CD2-CD1 4.19Å; L289-I293 WeakPolarHBondContact O-CG1 3.37Å; L289-I293 PolarHBondContact O-N 2.85Å; I293-T295 VanDerWaalsContact C-N 3.3Å; I293-T295 PolarHBondContact O-N 2.7Å; I293-L296 PolarHBondContact O-N 3.43Å; I293-I297 HydrophobicContact CG2-CD1 4.15Å; I293-I297 WeakPolarHBondContact O-CG1 3.18Å; I293-I297 PolarHBondContact O-N 3.03Å; I293-I297 VanDerWaalsContact O-N 3.1Å; I293-I320 HydrophobicContact CG2-CD1 4.14Å; I293-L323 HydrophobicContact CG1-CD1 3.98Å; I293-I343 HydrophobicContact CD1-CG2 4.41Å; I293-L344 HydrophobicContact CD1-CB 4.38Å; I293-L344 HydrophobicContact CD1-CD1 3.81Å; I293-L344 HydrophobicContact CG2-CD1 4.31Å; I293-F348 HydrophobicContact CG2-CE1 4.15Å
294P91.5Very high88.4Confident55 Ų5542.4 Ų42.436%0.35724%0.237SC..Hα-helixtrans-58.6-38.1173.4-26.937.2000113.9G290 V291 I297 K298G290-P294 WeakPolarHBondContact O-CG 3.31Å; V291-P294 WeakPolarHBondContact O-CD 3.41Å; P294-I297 PolarHBondContact O-N 2.79Å; P294-K298 WeakPolarHBondContact O-CB 3.32Å; P294-K298 PolarHBondContact O-N 3.33Å
295T91.7Very high86.9Confident23 Ų2346.2 Ų46.214%0.14125%0.253CS..Hα-helixtrans-68.4-39.5178.8-62.20000111.9I237 E238 V291 I292 I293 I297 K298 I299I237-T295 HydrophobicContact CG2-CG2 3.55Å; E238-T295 HydrophobicContact CG-CG2 4.11Å; V291-T295 WeakPolarHBondContact O-CB 3.35Å; V291-T295 PolarHBondContact O-N 3.24Å; V291-T295 VanDerWaalsContact O-N 3.14Å; V291-T295 PolarHBondContact O-OG1 3.34Å; I292-T295 PolarHBondContact O-N 2.98Å; I292-T295 VanDerWaalsContact O-N 3.16Å; I293-T295 VanDerWaalsContact C-N 3.3Å; I293-T295 PolarHBondContact O-N 2.7Å; T295-I297 VanDerWaalsContact C-N 3.34Å; T295-I297 PolarHBondContact O-N 3.42Å; T295-K298 PolarHBondContact O-N 3.49Å; T295-I299 HydrophobicContact CG2-CD1 4.17Å; T295-I299 WeakPolarHBondContact O-CG1 3.17Å; T295-I299 PolarHBondContact O-N 2.82Å
296L92.4Very high85.2Confident0 Ų058.2 Ų58.20%030%0.298CS..Hα-helixtrans-60.9-42.2173.3-69.8176.5000111.9L249 I292 I293 I299 A300 A316 C319 I320 L323 Y369L249-L296 HydrophobicContact CD2-CD2 3.46Å; L249-L296 VanDerWaalsContact CD2-CD2 3.46Å; I292-L296 HydrophobicContact CG2-CD1 3.87Å; I292-L296 HydrophobicContact CG2-CG 4.17Å; I292-L296 WeakPolarHBondContact O-CG 3.25Å; I292-L296 PolarHBondContact O-N 3.35Å; I293-L296 PolarHBondContact O-N 3.43Å; L296-I299 PolarHBondContact O-N 3.22Å; L296-A300 PolarHBondContact O-N 3.46Å; L296-A316 HydrophobicContact CD2-CB 4.25Å; L296-C319 HydrophobicContact CD1-CB 3.77Å; L296-C319 HydrophobicContact CD2-CB 4.01Å; L296-I320 HydrophobicContact CD1-CD1 3.74Å; L296-I320 HydrophobicContact CD1-CG1 4.09Å; L296-L323 HydrophobicContact CD1-CD1 4.24Å; L296-Y369 HydrophobicContact CB-CE1 4.27Å; L296-Y369 PolarHBondContact O-OH 3.11Å; L296-Y369 VanDerWaalsContact O-OH 3.09Å
297I88.5Confident83.4Confident15 Ų1557.9 Ų57.98%0.07730%0.296CS..Hα-helixtrans-62.8-46.6176-64.8165.7000109.9I293 P294 T295 I299 A300 D301 S347 F348 I366 Y369I293-I297 HydrophobicContact CG2-CD1 4.15Å; I293-I297 WeakPolarHBondContact O-CG1 3.18Å; I293-I297 PolarHBondContact O-N 3.03Å; I293-I297 VanDerWaalsContact O-N 3.1Å; P294-I297 PolarHBondContact O-N 2.79Å; T295-I297 VanDerWaalsContact C-N 3.34Å; T295-I297 PolarHBondContact O-N 3.42Å; I297-I299 VanDerWaalsContact C-N 3.31Å; I297-I299 PolarHBondContact O-N 3.36Å; I297-A300 PolarHBondContact O-N 3.36Å; I297-D301 PolarHBondContact O-N 2.82Å; I297-S347 WeakPolarHBondContact CD1-O 3.31Å; I297-F348 HydrophobicContact CD1-CD1 3.84Å; I297-F348 HydrophobicContact CD1-CE1 4.14Å; I297-I366 HydrophobicContact CG2-CG1 4.49Å; I297-Y369 HydrophobicContact CG1-CD1 3.9Å; I297-Y369 HydrophobicContact CG1-CE1 3.81Å
298K88.6Confident81.5Confident155 Ų15561.2 Ų61.267%0.67431%0.309SS*.Hα-helixtrans-60.2-38177.9-173.5-178.1179.4-175.40112.8P294 T295 K302P294-K298 WeakPolarHBondContact O-CB 3.32Å; P294-K298 PolarHBondContact O-N 3.33Å; T295-K298 PolarHBondContact O-N 3.49Å; K298-K302 WeakPolarHBondContact O-CB 3.4Å; K298-K302 PolarHBondContact O-N 2.8Å
299I86.4Confident79.6Confident6 Ų661.5 Ų61.53%0.03132%0.315CS..Hα-helixtrans-67.5-46.6175.9-71.2171.9000110.3I237 L249 T295 L296 I297 D301 K302 Y303I237-I299 HydrophobicContact CG2-CD1 3.47Å; I237-I299 VanDerWaalsContact CG2-CD1 3.47Å; L249-I299 HydrophobicContact CD1-CD1 4.2Å; L249-I299 HydrophobicContact CD1-CG2 4.26Å; T295-I299 HydrophobicContact CG2-CD1 4.17Å; T295-I299 WeakPolarHBondContact O-CG1 3.17Å; T295-I299 PolarHBondContact O-N 2.82Å; L296-I299 PolarHBondContact O-N 3.22Å; I297-I299 VanDerWaalsContact C-N 3.31Å; I297-I299 PolarHBondContact O-N 3.36Å; I299-D301 VanDerWaalsContact C-N 3.32Å; I299-D301 PolarHBondContact O-N 3.34Å; I299-K302 PolarHBondContact O-N 2.87Å; I299-K302 VanDerWaalsContact O-N 3.14Å; I299-Y303 HydrophobicContact CG2-CD2 3.85Å; I299-Y303 HydrophobicContact CG2-CE2 4.14Å; I299-Y303 VanDerWaalsContact O-CD2 3.29Å; I299-Y303 WeakPolarHBondContact O-CD2 3.45Å; I299-Y303 PolarHBondContact O-N 3.17Å
300A84.5Confident78.1Confident0 Ų064.2 Ų64.20%033%0.334CS..Hα-helixtrans-64-36.217800000112.8L296 I297 G304 Y313 A316 V365 Y369L296-A300 PolarHBondContact O-N 3.46Å; I297-A300 PolarHBondContact O-N 3.36Å; A300-G304 WeakPolarHBondContact O-CA 3.47Å; A300-G304 PolarHBondContact O-N 3.44Å; A300-Y313 HydrophobicContact CB-CD2 3.78Å; A300-Y313 HydrophobicContact CB-CE2 4.02Å; A300-A316 HydrophobicContact CB-CB 4.48Å; A300-V365 HydrophobicContact CB-CG1 3.49Å; A300-V365 VanDerWaalsContact CB-CG1 3.49Å; A300-Y369 HydrophobicContact CB-CE2 3.98Å; A300-Y369 WeakPolarHBondContact CB-OH 3.2Å
301D82.5Confident77.4Confident88 Ų8867 Ų6747%0.47134%0.337SS..Hα-helixtrans-65.7-38.2172.2-78.3-18.8000112.1I297 I299 V365I297-D301 PolarHBondContact O-N 2.82Å; I299-D301 VanDerWaalsContact C-N 3.32Å; I299-D301 PolarHBondContact O-N 3.34Å; D301-V365 WeakPolarHBondContact OD1-CG2 3.44Å
302K82.9Confident76.9Confident124 Ų12464.2 Ų64.254%0.53932%0.32SS..Hα-helixtrans-68.1-41.1179.8-176-175.5175.4-162.10112.7K298 I299K298-K302 WeakPolarHBondContact O-CB 3.4Å; K298-K302 PolarHBondContact O-N 2.8Å; I299-K302 PolarHBondContact O-N 2.87Å; I299-K302 VanDerWaalsContact O-N 3.14Å
303Y77.8Confident76.4Confident27 Ų2764.8 Ų64.811%0.10632%0.322CS..Hα-helixtrans-98.6-29.7-174.4-66-75.7000113.4Q245 I299 S307 N309 L312Q245-Y303 PolarHBondContact OE1-OH 2.88Å; I299-Y303 HydrophobicContact CG2-CD2 3.85Å; I299-Y303 HydrophobicContact CG2-CE2 4.14Å; I299-Y303 VanDerWaalsContact O-CD2 3.29Å; I299-Y303 WeakPolarHBondContact O-CD2 3.45Å; I299-Y303 PolarHBondContact O-N 3.17Å; Y303-S307 WeakPolarHBondContact O-CB 3.24Å; Y303-S307 PolarHBondContact O-OG 3.12Å; Y303-N309 HydrophobicContact CD1-CB 4.05Å; Y303-L312 HydrophobicContact CD1-CD1 4.09Å; Y303-L312 HydrophobicContact CD2-CB 4.18Å; Y303-L312 HydrophobicContact CD2-CD1 3.84Å; Y303-L312 HydrophobicContact CE1-CD1 3.87Å; Y303-L312 HydrophobicContact CE2-CD1 3.64Å; Y303-L312 HydrophobicContact CG-CB 4.3Å; Y303-L312 HydrophobicContact CG-CD1 4.09Å
304G67.6Low76.1Confident20 Ų2067.4 Ų67.421%0.20634%0.344CS..THydrogen-bonded Turntrans58.6175.2177.100000115.6A300 R306A300-G304 WeakPolarHBondContact O-CA 3.47Å; A300-G304 PolarHBondContact O-N 3.44Å; G304-R306 VanDerWaalsContact C-N 3.34Å; G304-R306 PolarHBondContact O-N 2.99Å
305K61.1Low76Confident122 Ų12266 Ų6653%0.5333%0.333SS..THydrogen-bonded Turntrans-72.8-19179.7-73.3-175.5-178.5177.20115Y313 D368K305-Y313 HydrophobicContact CD-CE1 4.3Å; K305-Y313 WeakPolarHBondContact CE-OH 3.16Å; K305-Y313 HydrophobicContact CG-CD1 4.02Å; K305-Y313 HydrophobicContact CG-CE1 3.53Å; K305-Y313 HydrophobicContact CG-CE2 4.11Å; K305-D368 WeakPolarHBondContact CE-OD2 3.42Å; K305-D368 IonicContact NZ-OD1 2.71Å; K305-D368 PolarHBondContact NZ-OD1 3.26Å; K305-D368 IonicContact NZ-OD2 2.71Å; K305-D368 PolarHBondContact NZ-OD2 2.93Å
306R55.4Low75.9Confident252 Ų25264.9 Ų64.995%0.95133%0.326SS*.THydrogen-bonded Turntrans-115.17.4-166.4-66.6-172.8-179.2177.61.9114.7G304G304-R306 VanDerWaalsContact C-N 3.34Å; G304-R306 PolarHBondContact O-N 2.99Å
307S54.7Low75.8Confident44 Ų4466.4 Ų66.431%0.30833%0.334SS..SBendtrans-85.7160.8176.5690000111.9Y303 N309 S310Y303-S307 WeakPolarHBondContact O-CB 3.24Å; Y303-S307 PolarHBondContact O-OG 3.12Å; S307-N309 PolarHBondContact O-N 3.46Å; S307-N309 PolarHBondContact OG-N 3.39Å; S307-S310 PolarHBondContact O-N 3.25Å
308D51.7Low75.9Confident167 Ų16767.3 Ų67.389%0.89334%0.342SS*.THydrogen-bonded Turntrans-55.5-16.8173.2-63.7-33.6000113.2
309N55Low76.2Confident74 Ų7459.9 Ų59.940%0.39631%0.309SS..THydrogen-bonded Turntrans-105.343.6177.9-67.7-16.1000112.3Y303 S307 D311 L312Y303-N309 HydrophobicContact CD1-CB 4.05Å; S307-N309 PolarHBondContact O-N 3.46Å; S307-N309 PolarHBondContact OG-N 3.39Å; N309-D311 PolarHBondContact O-N 3.19Å; N309-L312 HydrophobicContact CB-CD1 4.41Å; N309-L312 PolarHBondContact O-N 3.49Å; N309-L312 VanDerWaalsContact O-N 3.07Å
310S61.3Low76.5Confident59 Ų5959.6 Ų59.641%0.41331%0.308SS..Hα-helixtrans-54.4-22.8177.969.10000113.8S307 L312 Y313 A314S307-S310 PolarHBondContact O-N 3.25Å; S310-L312 PolarHBondContact O-N 3.45Å; S310-Y313 PolarHBondContact O-N 3.43Å; S310-A314 PolarHBondContact O-N 2.96Å
311D73.6Confident76.9Confident110 Ų11060.5 Ų60.559%0.58831%0.314SS*.Hα-helixtrans-61.9-40.3176.4-60-21.3000112.7N309 A314 L315N309-D311 PolarHBondContact O-N 3.19Å; D311-A314 PolarHBondContact O-N 3.1Å; D311-L315 VanDerWaalsContact O-CB 3.32Å; D311-L315 WeakPolarHBondContact O-CB 3.26Å; D311-L315 VanDerWaalsContact O-CG 3.23Å; D311-L315 WeakPolarHBondContact O-CG 3.35Å; D311-L315 PolarHBondContact O-N 3.29Å
312L81.4Confident77.4Confident1 Ų156.3 Ų56.31%0.00529%0.292CS..Hα-helixtrans-66.7-39.7179.3-83.5172.2000111.8L246 L249 Y303 N309 S310 A316L246-L312 HydrophobicContact CD2-CD1 4.42Å; L246-L312 HydrophobicContact CD2-CD2 3.41Å; L246-L312 VanDerWaalsContact CD2-CD2 3.41Å; L246-L312 HydrophobicContact CD2-CG 3.59Å; L246-L312 HydrophobicContact CG-CD1 4.33Å; L246-L312 HydrophobicContact CG-CD2 3.69Å; L246-L312 HydrophobicContact CG-CG 3.99Å; L249-L312 HydrophobicContact CD1-CD2 3.57Å; Y303-L312 HydrophobicContact CD1-CD1 4.09Å; Y303-L312 HydrophobicContact CD2-CB 4.18Å; Y303-L312 HydrophobicContact CD2-CD1 3.84Å; Y303-L312 HydrophobicContact CE1-CD1 3.87Å; Y303-L312 HydrophobicContact CE2-CD1 3.64Å; Y303-L312 HydrophobicContact CG-CB 4.3Å; Y303-L312 HydrophobicContact CG-CD1 4.09Å; N309-L312 HydrophobicContact CB-CD1 4.41Å; N309-L312 PolarHBondContact O-N 3.49Å; N309-L312 VanDerWaalsContact O-N 3.07Å; S310-L312 PolarHBondContact O-N 3.45Å; L312-A316 WeakPolarHBondContact O-CB 3.48Å; L312-A316 PolarHBondContact O-N 3.44Å
313Y84Confident77.9Confident18 Ų1850.4 Ų50.47%0.07127%0.266CS..Hα-helixtrans-64.7-45.5175.9173.9-89.1000110.9A300 K305 S310 A316 L317 V365 D368A300-Y313 HydrophobicContact CB-CD2 3.78Å; A300-Y313 HydrophobicContact CB-CE2 4.02Å; K305-Y313 HydrophobicContact CD-CE1 4.3Å; K305-Y313 WeakPolarHBondContact CE-OH 3.16Å; K305-Y313 HydrophobicContact CG-CD1 4.02Å; K305-Y313 HydrophobicContact CG-CE1 3.53Å; K305-Y313 HydrophobicContact CG-CE2 4.11Å; S310-Y313 PolarHBondContact O-N 3.43Å; Y313-A316 PolarHBondContact O-N 3.34Å; Y313-L317 PolarHBondContact O-N 3.48Å; Y313-L317 VanDerWaalsContact O-N 3.11Å; Y313-V365 HydrophobicContact CE2-CG1 4.28Å; Y313-V365 HydrophobicContact CE2-CG2 4.19Å; Y313-D368 PolarHBondContact OH-OD2 3.15Å
314A85.7Confident78.7Confident56 Ų5649.1 Ų49.146%0.46326%0.261SS..Hα-helixtrans-63.8-42.5177.300000112.4S310 D311 L317 S318S310-A314 PolarHBondContact O-N 2.96Å; D311-A314 PolarHBondContact O-N 3.1Å; A314-L317 PolarHBondContact O-N 3.46Å; A314-S318 WeakPolarHBondContact O-CB 3.24Å; A314-S318 PolarHBondContact O-N 3.44Å
315L88.6Confident79.8Confident25 Ų2551.1 Ų51.113%0.13127%0.265CS..Hα-helixtrans-62.9-41.4175.7-76.8168.7000112L246 D311 L317 S318 C319L246-L315 HydrophobicContact CD2-CD1 4.09Å; D311-L315 VanDerWaalsContact O-CB 3.32Å; D311-L315 WeakPolarHBondContact O-CB 3.26Å; D311-L315 VanDerWaalsContact O-CG 3.23Å; D311-L315 WeakPolarHBondContact O-CG 3.35Å; D311-L315 PolarHBondContact O-N 3.29Å; L315-L317 VanDerWaalsContact C-N 3.35Å; L315-L317 PolarHBondContact O-N 2.95Å; L315-S318 PolarHBondContact O-N 2.94Å; L315-C319 PolarHBondContact O-N 3.35Å; L315-C319 PolarHBondContact O-SG 3.37Å
316A90Very high81.2Confident0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-64.4-39.9178.100000111.9L296 A300 L312 Y313 C319 I320 Y369L296-A316 HydrophobicContact CD2-CB 4.25Å; A300-A316 HydrophobicContact CB-CB 4.48Å; L312-A316 WeakPolarHBondContact O-CB 3.48Å; L312-A316 PolarHBondContact O-N 3.44Å; Y313-A316 PolarHBondContact O-N 3.34Å; A316-C319 PolarHBondContact O-N 3.35Å; A316-I320 PolarHBondContact O-N 3Å; A316-Y369 VanDerWaalsContact CB-OH 3.25Å; A316-Y369 WeakPolarHBondContact CB-OH 3.47Å
317L90.3Very high82.9Confident32 Ų3233.5 Ų33.517%0.16820%0.195CC..Hα-helixtrans-65.7-41.2173.3-171.765.2000111.8Y313 A314 L315 C319 I320 S321 D368 Y369 E372Y313-L317 PolarHBondContact O-N 3.48Å; Y313-L317 VanDerWaalsContact O-N 3.11Å; A314-L317 PolarHBondContact O-N 3.46Å; L315-L317 VanDerWaalsContact C-N 3.35Å; L315-L317 PolarHBondContact O-N 2.95Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.06Å; L317-I320 WeakPolarHBondContact O-CB 3.37Å; L317-I320 PolarHBondContact O-N 3.26Å; L317-I320 VanDerWaalsContact O-N 3.15Å; L317-S321 PolarHBondContact O-N 2.87Å; L317-S321 VanDerWaalsContact O-N 3.09Å; L317-D368 HydrophobicContact CD1-CB 4.28Å; L317-Y369 HydrophobicContact CB-CE2 4.49Å; L317-Y369 HydrophobicContact CD1-CD2 3.62Å; L317-Y369 HydrophobicContact CD1-CE2 3.91Å; L317-Y369 HydrophobicContact CD1-CG 4.31Å; L317-E372 HydrophobicContact CD1-CB 3.75Å; L317-E372 HydrophobicContact CD1-CG 4.17Å; L317-E372 HydrophobicContact CG-CB 4.23Å; L317-E372 HydrophobicContact CG-CG 4.12Å
318S91.3Very high84.6Confident33 Ų3331.9 Ų31.923%0.23118%0.184CC..Hα-helixtrans-63.8-35175.7-173.60000112.6N253 H257 A314 L315 I320 S321 G322N253-S318 VanDerWaalsContact OD1-CB 3.23Å; N253-S318 WeakPolarHBondContact OD1-CB 3.26Å; N253-S318 PolarHBondContact OD1-OG 3.2Å; H257-S318 PolarHBondContact NE2-O 3.22Å; H257-S318 VanDerWaalsContact NE2-O 3.12Å; A314-S318 WeakPolarHBondContact O-CB 3.24Å; A314-S318 PolarHBondContact O-N 3.44Å; L315-S318 PolarHBondContact O-N 2.94Å; S318-I320 VanDerWaalsContact C-N 3.33Å; S318-I320 PolarHBondContact O-N 2.97Å; S318-S321 WeakPolarHBondContact O-CB 3.24Å; S318-S321 PolarHBondContact O-N 2.68Å; S318-G322 PolarHBondContact O-N 3.49Å
319C94Very high86.3Confident0 Ų028.9 Ų28.90%016%0.164CC..Hα-helixtrans-63.7-37172.8-68.50000111.9F252 L256 L296 L315 A316 L317 G322 L323F252-C319 HydrophobicContact CD1-CB 4.15Å; F252-C319 HydrophobicContact CE1-CB 4.27Å; L256-C319 HydrophobicContact CD1-CB 4.16Å; L256-C319 VanDerWaalsContact CD1-O 3.26Å; L256-C319 WeakPolarHBondContact CD1-O 3.22Å; L296-C319 HydrophobicContact CD1-CB 3.77Å; L296-C319 HydrophobicContact CD2-CB 4.01Å; L315-C319 PolarHBondContact O-N 3.35Å; L315-C319 PolarHBondContact O-SG 3.37Å; A316-C319 PolarHBondContact O-N 3.35Å; L317-C319 VanDerWaalsContact C-N 3.32Å; L317-C319 PolarHBondContact O-N 3.06Å; C319-G322 PolarHBondContact O-N 2.86Å; C319-L323 WeakPolarHBondContact O-CG 3.28Å; C319-L323 PolarHBondContact O-N 3.29Å
320I93.9Very high87.9Confident0 Ų028.5 Ų28.50%016%0.16CC..Hα-helixtrans-66.5-45.7174.5-65.2-71.3000110.9I293 L296 A316 L317 S318 G322 L323 V324 Y369 S373I293-I320 HydrophobicContact CG2-CD1 4.14Å; L296-I320 HydrophobicContact CD1-CD1 3.74Å; L296-I320 HydrophobicContact CD1-CG1 4.09Å; A316-I320 PolarHBondContact O-N 3Å; L317-I320 WeakPolarHBondContact O-CB 3.37Å; L317-I320 PolarHBondContact O-N 3.26Å; L317-I320 VanDerWaalsContact O-N 3.15Å; S318-I320 VanDerWaalsContact C-N 3.33Å; S318-I320 PolarHBondContact O-N 2.97Å; I320-G322 PolarHBondContact O-N 3.24Å; I320-L323 HydrophobicContact CD1-CD1 4.35Å; I320-L323 PolarHBondContact O-N 2.81Å; I320-V324 WeakPolarHBondContact O-CG2 3.15Å; I320-V324 PolarHBondContact O-N 3.34Å; I320-Y369 HydrophobicContact CB-CD1 4.45Å; I320-Y369 HydrophobicContact CD1-CD1 3.79Å; I320-Y369 HydrophobicContact CD1-CE1 3.83Å; I320-Y369 HydrophobicContact CG1-CD1 3.45Å; I320-Y369 VanDerWaalsContact CG1-CD1 3.45Å; I320-Y369 HydrophobicContact CG1-CE1 3.4Å; I320-Y369 HydrophobicContact CG1-CG 4.28Å; I320-S373 WeakPolarHBondContact CG2-OG 3.07Å
321S92.3Very high89.1Confident19 Ų1926.2 Ų26.213%0.13314%0.144CC..Hα-helixtrans-56.9-40.8172.3179.40000111.4L317 S318 V324 H325 S376L317-S321 PolarHBondContact O-N 2.87Å; L317-S321 VanDerWaalsContact O-N 3.09Å; S318-S321 WeakPolarHBondContact O-CB 3.24Å; S318-S321 PolarHBondContact O-N 2.68Å; S321-V324 PolarHBondContact O-N 3.08Å; S321-H325 WeakPolarHBondContact O-CB 3.21Å; S321-H325 PolarHBondContact O-N 2.86Å; S321-S376 WeakPolarHBondContact OG-CB 3.38Å
322G91.9Very high89.8Confident0 Ų026.9 Ų26.90%015%0.148CC..Hα-helixtrans-66.4-40.2178.600000112.7H257 S318 C319 I320 H325 A326H257-G322 WeakPolarHBondContact CE1-CA 3.46Å; H257-G322 PolarHBondContact CE1-N 3.44Å; H257-G322 WeakPolarHBondContact NE2-CA 3.5Å; S318-G322 PolarHBondContact O-N 3.49Å; C319-G322 PolarHBondContact O-N 2.86Å; I320-G322 PolarHBondContact O-N 3.24Å; G322-H325 PolarHBondContact O-N 2.88Å; G322-A326 VanDerWaalsContact O-CB 3.26Å; G322-A326 WeakPolarHBondContact O-CB 3.4Å; G322-A326 PolarHBondContact O-N 3.4Å
323L94.6Very high90.1Very high0 Ų030.4 Ų30.40%017%0.167CC..Hα-helixtrans-60.7-47.4174.5-79.3170.3000111.6F252 L256 I285 L289 I292 I293 L296 C319 I320 H327F252-L323 HydrophobicContact CZ-CD2 4.04Å; F252-L323 HydrophobicContact CZ-CG 4.39Å; L256-L323 HydrophobicContact CD1-CD2 4.39Å; L256-L323 HydrophobicContact CD1-CG 3.97Å; L256-L323 HydrophobicContact CD2-CD2 3.7Å; L256-L323 HydrophobicContact CD2-CG 4.09Å; I285-L323 HydrophobicContact CG2-CD2 3.59Å; L289-L323 HydrophobicContact CD2-CD2 3.86Å; I292-L323 HydrophobicContact CG2-CD1 4.17Å; I293-L323 HydrophobicContact CG1-CD1 3.98Å; L296-L323 HydrophobicContact CD1-CD1 4.24Å; C319-L323 WeakPolarHBondContact O-CG 3.28Å; C319-L323 PolarHBondContact O-N 3.29Å; I320-L323 HydrophobicContact CD1-CD1 4.35Å; I320-L323 PolarHBondContact O-N 2.81Å; L323-H327 PolarHBondContact O-N 3.06Å; L323-H327 PolarHBondContact O-ND1 3.26Å
324V93.7Very high90.3Very high0 Ų034.6 Ų34.60%019%0.185CC..Hα-helixtrans-65.7-44.5177.91750000110.6I320 S321 A326 H327 S328 F340 L344 S376 A377 L383I320-V324 WeakPolarHBondContact O-CG2 3.15Å; I320-V324 PolarHBondContact O-N 3.34Å; S321-V324 PolarHBondContact O-N 3.08Å; V324-A326 PolarHBondContact O-N 3.31Å; V324-H327 PolarHBondContact O-N 3.07Å; V324-S328 VanDerWaalsContact O-CB 3.25Å; V324-S328 WeakPolarHBondContact O-CB 3.24Å; V324-S328 PolarHBondContact O-N 3.09Å; V324-S328 PolarHBondContact O-OG 3.48Å; V324-F340 HydrophobicContact CG2-CE1 4.22Å; V324-F340 HydrophobicContact CG2-CZ 3.95Å; V324-L344 HydrophobicContact CG2-CD2 4.2Å; V324-S376 VanDerWaalsContact CB-OG 3.26Å; V324-S376 WeakPolarHBondContact CB-OG 3.41Å; V324-S376 VanDerWaalsContact CG1-OG 3.24Å; V324-S376 WeakPolarHBondContact CG1-OG 3.39Å; V324-A377 HydrophobicContact CG1-CB 3.79Å; V324-L383 HydrophobicContact CG1-CD2 3.96Å
325H90.6Very high90.4Very high62 Ų6234.6 Ų34.629%0.28718%0.182SC..Hα-helixtrans-58.5-49.1176.9-179.8-95.1000111.8S321 G322 H327 S328 Q329S321-H325 WeakPolarHBondContact O-CB 3.21Å; S321-H325 PolarHBondContact O-N 2.86Å; G322-H325 PolarHBondContact O-N 2.88Å; H325-H327 PolarHBondContact O-N 3.48Å; H325-S328 WeakPolarHBondContact CA-OG 3.47Å; H325-S328 PolarHBondContact O-N 3.18Å; H325-S328 VanDerWaalsContact O-N 3.14Å; H325-S328 PolarHBondContact O-OG 3.35Å; H325-Q329 PolarHBondContact CE1-OE1 3.23Å; H325-Q329 WeakPolarHBondContact O-CB 3.48Å; H325-Q329 PolarHBondContact O-N 2.91Å
326A90.3Very high90.5Very high0 Ų037.7 Ų37.70%020%0.196CC..Hα-helixtrans-58.4-45.8179.200000112.3P279 G322 V324 Q329 Q330P279-A326 HydrophobicContact CB-CB 4.2Å; G322-A326 VanDerWaalsContact O-CB 3.26Å; G322-A326 WeakPolarHBondContact O-CB 3.4Å; G322-A326 PolarHBondContact O-N 3.4Å; V324-A326 PolarHBondContact O-N 3.31Å; A326-Q329 PolarHBondContact O-N 3.44Å; A326-Q330 VanDerWaalsContact O-CB 3.31Å; A326-Q330 WeakPolarHBondContact O-CB 3.27Å; A326-Q330 VanDerWaalsContact O-CG 3.31Å; A326-Q330 WeakPolarHBondContact O-CG 3.38Å; A326-Q330 PolarHBondContact O-N 3.32Å
327H92.1Very high90.5Very high4 Ų437.7 Ų37.72%0.01920%0.196CC..Hα-helixtrans-67.6-38.7175.9-71.278.1000111.8L323 V324 H325 Q329 T331 L337 F340L323-H327 PolarHBondContact O-N 3.06Å; L323-H327 PolarHBondContact O-ND1 3.26Å; V324-H327 PolarHBondContact O-N 3.07Å; H325-H327 PolarHBondContact O-N 3.48Å; H327-Q329 VanDerWaalsContact C-N 3.3Å; H327-Q329 PolarHBondContact O-N 3.38Å; H327-T331 WeakPolarHBondContact O-CG2 3.14Å; H327-T331 PolarHBondContact O-N 3.43Å; H327-L337 HydrophobicContact CB-CD2 4.35Å; H327-F340 HydrophobicContact CB-CD1 4.25Å; H327-F340 HydrophobicContact CB-CE1 4.31Å; H327-F340 HydrophobicContact CB-CG 4.4Å; H327-F340 AromaticContact CD2-CD2 3.63Å; H327-F340 AromaticContact CD2-CG 3.73Å; H327-F340 AromaticContact CE1-CD2 3.56Å; H327-F340 AromaticContact CE1-CE2 3.65Å; H327-F340 AromaticContact CG-CD2 3.74Å; H327-F340 AromaticContact CG-CE2 3.93Å; H327-F340 AromaticContact CG-CG 3.9Å; H327-F340 AromaticContact ND1-CD2 3.69Å; H327-F340 AromaticContact ND1-CE2 3.53Å; H327-F340 AromaticContact NE2-CD2 3.51Å
328S89.9Confident90.5Very high10 Ų1039.2 Ų39.27%0.0720%0.202CC..Hα-helixtrans-64.5-32.6179.478.20000113.4V324 H325 N380V324-S328 VanDerWaalsContact O-CB 3.25Å; V324-S328 WeakPolarHBondContact O-CB 3.24Å; V324-S328 PolarHBondContact O-N 3.09Å; V324-S328 PolarHBondContact O-OG 3.48Å; H325-S328 WeakPolarHBondContact CA-OG 3.47Å; H325-S328 PolarHBondContact O-N 3.18Å; H325-S328 VanDerWaalsContact O-N 3.14Å; H325-S328 PolarHBondContact O-OG 3.35Å; S328-N380 PolarHBondContact O-ND2 3.36Å
329Q87.9Confident90.4Very high103 Ų10342.7 Ų42.748%0.48122%0.218SC..Hα-helixtrans-88.8-36.3-177.3-174.2-178.9-7.900112.5H325 A326 H327H325-Q329 PolarHBondContact CE1-OE1 3.23Å; H325-Q329 WeakPolarHBondContact O-CB 3.48Å; H325-Q329 PolarHBondContact O-N 2.91Å; A326-Q329 PolarHBondContact O-N 3.44Å; H327-Q329 VanDerWaalsContact C-N 3.3Å; H327-Q329 PolarHBondContact O-N 3.38Å
330Q88.8Confident90.4Very high66 Ų6643 Ų4331%0.30822%0.219SC..Hα-helixtrans-91.8-23.9-170.8-66.3-177.15100114.4P279 I280 I282 A326P279-Q330 HydrophobicContact CG-CG 4.17Å; P279-Q330 VanDerWaalsContact CG-NE2 3.32Å; I280-Q330 PolarHBondContact O-NE2 3Å; I282-Q330 HydrophobicContact CD1-CB 4.25Å; I282-Q330 HydrophobicContact CG1-CB 4.37Å; I282-Q330 HydrophobicContact CG2-CB 4.1Å; I282-Q330 HydrophobicContact CG2-CG 4.44Å; A326-Q330 VanDerWaalsContact O-CB 3.31Å; A326-Q330 WeakPolarHBondContact O-CB 3.27Å; A326-Q330 VanDerWaalsContact O-CG 3.31Å; A326-Q330 WeakPolarHBondContact O-CG 3.38Å; A326-Q330 PolarHBondContact O-N 3.32Å
331T87.1Confident90.3Very high12 Ų1243 Ų437%0.07422%0.219CC..  trans-135.5137.1-178.9-173.70000113.1I282 H327 D333 Q336 L337I282-T331 HydrophobicContact CD1-CG2 3.67Å; H327-T331 WeakPolarHBondContact O-CG2 3.14Å; H327-T331 PolarHBondContact O-N 3.43Å; T331-D333 PolarHBondContact OG1-N 2.98Å; T331-D333 VanDerWaalsContact OG1-N 3.12Å; T331-Q336 HydrophobicContact CG2-CB 4.42Å; T331-Q336 PolarHBondContact OG1-OE1 2.92Å; T331-L337 HydrophobicContact CG2-CD2 3.74Å; T331-L337 HydrophobicContact CG2-CG 4.15Å
332N87Confident90.1Very high124 Ų12443.7 Ų43.766%0.66322%0.223SC*.  trans-114.311.1167.3-75-34.2000111.3K334 N380 L382N332-K334 PolarHBondContact O-N 3.2Å; N332-N380 PolarHBondContact OD1-ND2 2.65Å; N332-L382 WeakPolarHBondContact O-CD2 3.49Å
333D88.9Confident90.1Very high75 Ų7546.4 Ų46.440%0.40124%0.236SC..  trans-73.1115.6173.8-173.3-16.8000109.2T331 S335 Q336 L337T331-D333 PolarHBondContact OG1-N 2.98Å; T331-D333 VanDerWaalsContact OG1-N 3.12Å; D333-S335 PolarHBondContact O-N 3.25Å; D333-S335 PolarHBondContact OD1-N 3.46Å; D333-S335 PolarHBondContact OD1-OG 3.21Å; D333-S335 PolarHBondContact OD2-OG 2.86Å; D333-Q336 HydrophobicContact CB-CB 4.25Å; D333-Q336 HydrophobicContact CB-CG 4.07Å; D333-Q336 PolarHBondContact O-N 3.41Å; D333-L337 WeakPolarHBondContact O-CG 3.49Å; D333-L337 PolarHBondContact O-N 2.88Å
334K87.5Confident89.9Confident105 Ų10546.4 Ų46.446%0.45724%0.236SC..Hα-helixtrans-54.4-39.1179.1-179172.6175.6171.10112.1N332 L337 E338 L382 I386N332-K334 PolarHBondContact O-N 3.2Å; K334-L337 PolarHBondContact O-N 3.37Å; K334-E338 WeakPolarHBondContact CE-OE1 3.34Å; K334-E338 HydrophobicContact CG-CG 4.34Å; K334-E338 IonicContact NZ-OE1 3.57Å; K334-E338 WeakPolarHBondContact O-CB 3.49Å; K334-E338 VanDerWaalsContact O-CG 3.28Å; K334-E338 WeakPolarHBondContact O-CG 3.35Å; K334-E338 PolarHBondContact O-N 2.98Å; K334-L382 HydrophobicContact CB-CD2 4.47Å; K334-L382 HydrophobicContact CG-CD1 4.47Å; K334-I386 HydrophobicContact CG-CD1 4.31Å
335S88.9Confident89.6Confident57 Ų5746.5 Ų46.540%0.39924%0.237SC..Hα-helixtrans-66.6-44.8-177.763.70000112.3D333 E338 D339D333-S335 PolarHBondContact O-N 3.25Å; D333-S335 PolarHBondContact OD1-N 3.46Å; D333-S335 PolarHBondContact OD1-OG 3.21Å; D333-S335 PolarHBondContact OD2-OG 2.86Å; S335-E338 PolarHBondContact O-N 3.4Å; S335-D339 PolarHBondContact O-N 2.89Å
336Q89.4Confident89.4Confident90 Ų9052.1 Ų52.142%0.42126%0.256SS..Hα-helixtrans-65.5-40.1177.2-65.1-178-8.800112T331 D333 D339 F340T331-Q336 HydrophobicContact CG2-CB 4.42Å; T331-Q336 PolarHBondContact OG1-OE1 2.92Å; D333-Q336 HydrophobicContact CB-CB 4.25Å; D333-Q336 HydrophobicContact CB-CG 4.07Å; D333-Q336 PolarHBondContact O-N 3.41Å; Q336-D339 PolarHBondContact O-N 3.18Å; Q336-F340 WeakPolarHBondContact O-CB 3.41Å; Q336-F340 PolarHBondContact O-N 3.01Å
337L91Very high89.2Confident0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-68.7-36176.4-67.6175.3000112H327 T331 D333 K334 T341 L382 L383 I386H327-L337 HydrophobicContact CB-CD2 4.35Å; T331-L337 HydrophobicContact CG2-CD2 3.74Å; T331-L337 HydrophobicContact CG2-CG 4.15Å; D333-L337 WeakPolarHBondContact O-CG 3.49Å; D333-L337 PolarHBondContact O-N 2.88Å; K334-L337 PolarHBondContact O-N 3.37Å; L337-T341 VanDerWaalsContact O-CB 3.25Å; L337-T341 WeakPolarHBondContact O-CB 3.13Å; L337-T341 PolarHBondContact O-N 2.6Å; L337-T341 PolarHBondContact O-OG1 2.93Å; L337-L382 HydrophobicContact CD1-CD2 3.72Å; L337-L382 HydrophobicContact CD1-CG 3.99Å; L337-L383 HydrophobicContact CB-CD1 4.44Å; L337-L383 HydrophobicContact CD1-CB 4.41Å; L337-L383 HydrophobicContact CD2-CB 4.47Å; L337-L383 HydrophobicContact CD2-CD1 4.19Å; L337-L383 HydrophobicContact CD2-CD2 4.47Å; L337-I386 HydrophobicContact CB-CD1 3.74Å; L337-I386 HydrophobicContact CD1-CD1 4.5Å
338E90Very high88.8Confident64 Ų6453.7 Ų53.730%0.29927%0.266SS..Hα-helixtrans-63-48.4172-79.9177.7176.800111.1K334 S335 F340 T341 V342 I386K334-E338 WeakPolarHBondContact CE-OE1 3.34Å; K334-E338 HydrophobicContact CG-CG 4.34Å; K334-E338 IonicContact NZ-OE1 3.57Å; K334-E338 WeakPolarHBondContact O-CB 3.49Å; K334-E338 VanDerWaalsContact O-CG 3.28Å; K334-E338 WeakPolarHBondContact O-CG 3.35Å; K334-E338 PolarHBondContact O-N 2.98Å; S335-E338 PolarHBondContact O-N 3.4Å; E338-F340 PolarHBondContact O-N 3.06Å; E338-T341 PolarHBondContact O-N 3.36Å; E338-V342 WeakPolarHBondContact O-CB 3.4Å; E338-V342 VanDerWaalsContact O-CG2 3.27Å; E338-V342 WeakPolarHBondContact O-CG2 3.41Å; E338-V342 PolarHBondContact O-N 3.11Å; E338-I386 HydrophobicContact CG-CD1 4.15Å; E338-I386 HydrophobicContact CG-CG1 4.39Å; E338-I386 HydrophobicContact CG-CG2 3.96Å
339D89.8Confident88.2Confident106 Ų10655.7 Ų55.757%0.56729%0.288SS*.Hα-helixtrans-60.4-46.6177.5-75.7-21.4000111.9S335 Q336 T341 V342 I343S335-D339 PolarHBondContact O-N 2.89Å; Q336-D339 PolarHBondContact O-N 3.18Å; D339-T341 PolarHBondContact O-N 3.15Å; D339-V342 PolarHBondContact O-N 3.49Å; D339-I343 VanDerWaalsContact O-CG1 3.3Å; D339-I343 WeakPolarHBondContact O-CG1 3.47Å; D339-I343 PolarHBondContact O-N 3.28Å
340F93.6Very high87.5Confident5 Ų551.2 Ų51.22%0.02227%0.268CS..Hα-helixtrans-57.1-48.9174168.8-105.8000111.4L289 V324 H327 Q336 E338 V342 I343 L344 L383L289-F340 HydrophobicContact CD1-CD2 3.77Å; L289-F340 HydrophobicContact CD1-CE2 4.47Å; L289-F340 HydrophobicContact CD2-CD2 4.25Å; L289-F340 HydrophobicContact CD2-CE2 4.14Å; V324-F340 HydrophobicContact CG2-CE1 4.22Å; V324-F340 HydrophobicContact CG2-CZ 3.95Å; H327-F340 HydrophobicContact CB-CD1 4.25Å; H327-F340 HydrophobicContact CB-CE1 4.31Å; H327-F340 HydrophobicContact CB-CG 4.4Å; H327-F340 AromaticContact CD2-CD2 3.63Å; H327-F340 AromaticContact CD2-CG 3.73Å; H327-F340 AromaticContact CE1-CD2 3.56Å; H327-F340 AromaticContact CE1-CE2 3.65Å; H327-F340 AromaticContact CG-CD2 3.74Å; H327-F340 AromaticContact CG-CE2 3.93Å; H327-F340 AromaticContact CG-CG 3.9Å; H327-F340 AromaticContact ND1-CD2 3.69Å; H327-F340 AromaticContact ND1-CE2 3.53Å; H327-F340 AromaticContact NE2-CD2 3.51Å; Q336-F340 WeakPolarHBondContact O-CB 3.41Å; Q336-F340 PolarHBondContact O-N 3.01Å; E338-F340 PolarHBondContact O-N 3.06Å; F340-V342 VanDerWaalsContact C-N 3.34Å; F340-V342 PolarHBondContact O-N 3.03Å; F340-I343 PolarHBondContact O-N 2.81Å; F340-L344 HydrophobicContact CE1-CD2 4.06Å; F340-L344 HydrophobicContact CZ-CD2 4.07Å; F340-L344 WeakPolarHBondContact O-CB 3.48Å; F340-L344 PolarHBondContact O-N 3.38Å; F340-L383 HydrophobicContact CD1-CD1 4.23Å; F340-L383 HydrophobicContact CE1-CD1 4.48Å
341T90.7Very high86.4Confident0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-62.5-41.8-179.2-60.10000111.4L337 E338 D339 I343 L344 L345 L383 I386 L387 Y390L337-T341 VanDerWaalsContact O-CB 3.25Å; L337-T341 WeakPolarHBondContact O-CB 3.13Å; L337-T341 PolarHBondContact O-N 2.6Å; L337-T341 PolarHBondContact O-OG1 2.93Å; E338-T341 PolarHBondContact O-N 3.36Å; D339-T341 PolarHBondContact O-N 3.15Å; T341-I343 PolarHBondContact O-N 2.9Å; T341-L344 PolarHBondContact O-N 3.16Å; T341-L345 HydrophobicContact CG2-CD1 3.65Å; T341-L345 HydrophobicContact CG2-CG 4.06Å; T341-L345 VanDerWaalsContact O-CB 3.25Å; T341-L345 WeakPolarHBondContact O-CB 3.22Å; T341-L345 VanDerWaalsContact O-CG 3.26Å; T341-L345 WeakPolarHBondContact O-CG 3.23Å; T341-L345 PolarHBondContact O-N 2.98Å; T341-L383 WeakPolarHBondContact OG1-CD1 3.47Å; T341-I386 HydrophobicContact CG2-CG2 4.01Å; T341-L387 HydrophobicContact CG2-CD2 3.72Å; T341-L387 HydrophobicContact CG2-CG 4.25Å; T341-Y390 HydrophobicContact CG2-CD2 3.77Å; T341-Y390 HydrophobicContact CG2-CE2 4.38Å
342V89.5Confident84.9Confident35 Ų3550.2 Ų50.221%0.21227%0.267CS..Hα-helixtrans-62.4-42.8177.41650000111.2E338 D339 F340 R346 P352 Y390E338-V342 WeakPolarHBondContact O-CB 3.4Å; E338-V342 VanDerWaalsContact O-CG2 3.27Å; E338-V342 WeakPolarHBondContact O-CG2 3.41Å; E338-V342 PolarHBondContact O-N 3.11Å; D339-V342 PolarHBondContact O-N 3.49Å; F340-V342 VanDerWaalsContact C-N 3.34Å; F340-V342 PolarHBondContact O-N 3.03Å; V342-R346 WeakPolarHBondContact O-CB 3.34Å; V342-R346 PolarHBondContact O-N 3.42Å; V342-P352 HydrophobicContact CB-CG 4.29Å; V342-P352 HydrophobicContact CG1-CG 3.86Å; V342-P352 HydrophobicContact CG2-CB 4.35Å; V342-P352 HydrophobicContact CG2-CG 4.05Å; V342-Y390 HydrophobicContact CG2-CE1 4.29Å; V342-Y390 HydrophobicContact CG2-CE2 4.32Å
343I90.1Very high83.5Confident56 Ų5651.7 Ų51.729%0.28728%0.276SS..Hα-helixtrans-66.4-49.6177.4-64.4164.8000110.3L289 I293 D339 F340 T341 L345 R346 S347L289-I343 HydrophobicContact CB-CG2 3.86Å; L289-I343 HydrophobicContact CD1-CD1 4.31Å; I293-I343 HydrophobicContact CD1-CG2 4.41Å; D339-I343 VanDerWaalsContact O-CG1 3.3Å; D339-I343 WeakPolarHBondContact O-CG1 3.47Å; D339-I343 PolarHBondContact O-N 3.28Å; F340-I343 PolarHBondContact O-N 2.81Å; T341-I343 PolarHBondContact O-N 2.9Å; I343-L345 PolarHBondContact O-N 3.26Å; I343-R346 PolarHBondContact O-N 3.46Å; I343-S347 PolarHBondContact O-N 3.49Å; I343-S347 PolarHBondContact O-OG 2.97Å
344L91.8Very high81.8Confident0 Ų053.4 Ų53.40%028%0.281CS..Hα-helixtrans-55.7-52179.5-177.569.5000111.5I293 V324 F340 T341 S347 F348 L387I293-L344 HydrophobicContact CD1-CB 4.38Å; I293-L344 HydrophobicContact CD1-CD1 3.81Å; I293-L344 HydrophobicContact CG2-CD1 4.31Å; V324-L344 HydrophobicContact CG2-CD2 4.2Å; F340-L344 HydrophobicContact CE1-CD2 4.06Å; F340-L344 HydrophobicContact CZ-CD2 4.07Å; F340-L344 WeakPolarHBondContact O-CB 3.48Å; F340-L344 PolarHBondContact O-N 3.38Å; T341-L344 PolarHBondContact O-N 3.16Å; L344-S347 PolarHBondContact O-N 3.44Å; L344-F348 HydrophobicContact CD1-CE1 4.14Å; L344-F348 HydrophobicContact CD1-CE2 3.83Å; L344-F348 HydrophobicContact CD1-CZ 3.42Å; L344-F348 VanDerWaalsContact CD1-CZ 3.42Å; L344-F348 HydrophobicContact CD2-CE2 4.22Å; L344-F348 HydrophobicContact CG-CD2 4.4Å; L344-F348 HydrophobicContact CG-CE2 3.63Å; L344-F348 HydrophobicContact CG-CZ 3.8Å; L344-F348 WeakPolarHBondContact O-CG 3.14Å; L344-F348 PolarHBondContact O-N 3.22Å; L344-L387 HydrophobicContact CD2-CD2 4.46Å
345L87.8Confident80.1Confident2 Ų258.9 Ų58.91%0.0130%0.299CS..Hα-helixtrans-67.4-37.5-179.8-69.4-177.1000111.9T341 I343 S347 F348 G349 F350 L387 Y390 T391T341-L345 HydrophobicContact CG2-CD1 3.65Å; T341-L345 HydrophobicContact CG2-CG 4.06Å; T341-L345 VanDerWaalsContact O-CB 3.25Å; T341-L345 WeakPolarHBondContact O-CB 3.22Å; T341-L345 VanDerWaalsContact O-CG 3.26Å; T341-L345 WeakPolarHBondContact O-CG 3.23Å; T341-L345 PolarHBondContact O-N 2.98Å; I343-L345 PolarHBondContact O-N 3.26Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3.01Å; L345-F348 HydrophobicContact CD2-CD2 4.17Å; L345-F348 CarbonylContact O-C 3.54Å; L345-F348 PolarHBondContact O-N 3.3Å; L345-F348 VanDerWaalsContact O-N 3.1Å; L345-G349 PolarHBondContact O-N 3.31Å; L345-F350 HydrophobicContact CB-CB 3.96Å; L345-F350 HydrophobicContact CB-CG 4.45Å; L345-F350 HydrophobicContact CD2-CD2 4.33Å; L345-F350 WeakPolarHBondContact O-CB 3.25Å; L345-F350 PolarHBondContact O-N 3.39Å; L345-L387 HydrophobicContact CD2-CD2 4.44Å; L345-Y390 HydrophobicContact CD1-CG 4.23Å; L345-T391 HydrophobicContact CD1-CG2 4.05Å; L345-T391 HydrophobicContact CD2-CG2 3.85Å
346R86.4Confident78.2Confident180 Ų18062.9 Ų62.968%0.67931%0.311SS*.Hα-helixtrans-60.3-40.1173.5-179-179.6-89.6172.3-5.8112.1V342 I343 F348 G349 F350V342-R346 WeakPolarHBondContact O-CB 3.34Å; V342-R346 PolarHBondContact O-N 3.42Å; I343-R346 PolarHBondContact O-N 3.46Å; R346-F348 VanDerWaalsContact C-N 3.27Å; R346-F348 PolarHBondContact O-N 3.41Å; R346-G349 PolarHBondContact O-N 2.67Å; R346-F350 VanDerWaalsContact CA-O 3.23Å; R346-F350 WeakPolarHBondContact CA-O 3.26Å
347S85.6Confident76.4Confident30 Ų3061.3 Ų61.321%0.2131%0.308CS..Hα-helixtrans-66-29.2175.3-62.60000113I297 I343 L344 L345 G349I297-S347 WeakPolarHBondContact CD1-O 3.31Å; I343-S347 PolarHBondContact O-N 3.49Å; I343-S347 PolarHBondContact O-OG 2.97Å; L344-S347 PolarHBondContact O-N 3.44Å; L345-S347 VanDerWaalsContact C-N 3.31Å; L345-S347 PolarHBondContact O-N 3.01Å; S347-G349 PolarHBondContact O-N 2.99Å
348F84Confident74.6Confident7 Ų762.2 Ų62.23%0.03131%0.314CS..THydrogen-bonded Turntrans-79.30.4172.3-58.9-21.3000113.7I293 I297 L344 L345 R346 F350 I366 Y369 I370I293-F348 HydrophobicContact CG2-CE1 4.15Å; I297-F348 HydrophobicContact CD1-CD1 3.84Å; I297-F348 HydrophobicContact CD1-CE1 4.14Å; L344-F348 HydrophobicContact CD1-CE1 4.14Å; L344-F348 HydrophobicContact CD1-CE2 3.83Å; L344-F348 HydrophobicContact CD1-CZ 3.42Å; L344-F348 VanDerWaalsContact CD1-CZ 3.42Å; L344-F348 HydrophobicContact CD2-CE2 4.22Å; L344-F348 HydrophobicContact CG-CD2 4.4Å; L344-F348 HydrophobicContact CG-CE2 3.63Å; L344-F348 HydrophobicContact CG-CZ 3.8Å; L344-F348 WeakPolarHBondContact O-CG 3.14Å; L344-F348 PolarHBondContact O-N 3.22Å; L345-F348 HydrophobicContact CD2-CD2 4.17Å; L345-F348 CarbonylContact O-C 3.54Å; L345-F348 PolarHBondContact O-N 3.3Å; L345-F348 VanDerWaalsContact O-N 3.1Å; R346-F348 VanDerWaalsContact C-N 3.27Å; R346-F348 PolarHBondContact O-N 3.41Å; F348-F350 HydrophobicContact CB-CD2 3.73Å; F348-F350 HydrophobicContact CB-CE2 3.92Å; F348-I366 HydrophobicContact CB-CG2 3.94Å; F348-I366 HydrophobicContact CG-CG2 4.35Å; F348-Y369 AromaticContact CE1-CD1 3.94Å; F348-Y369 HydrophobicContact CE1-CD1 3.94Å; F348-Y369 HydrophobicContact CE1-CG 4.4Å; F348-I370 HydrophobicContact CB-CG1 4.49Å; F348-I370 HydrophobicContact CD2-CG1 3.71Å; F348-I370 HydrophobicContact CE2-CG1 4.18Å; F348-I370 HydrophobicContact CG-CG1 4.23Å
349G76.2Confident72.6Confident52 Ų5266.4 Ų66.454%0.53634%0.337SS..THydrogen-bonded Turntrans89.65.7-179.200000114.9L345 R346 S347L345-G349 PolarHBondContact O-N 3.31Å; R346-G349 PolarHBondContact O-N 2.67Å; S347-G349 PolarHBondContact O-N 2.99Å
350F72.7Confident70.7Confident10 Ų1068.1 Ų68.14%0.04435%0.345CS..  trans-81.4132.3173.6-65-105.5000110L345 R346 F348 P352 I370 Y394 L395L345-F350 HydrophobicContact CB-CB 3.96Å; L345-F350 HydrophobicContact CB-CG 4.45Å; L345-F350 HydrophobicContact CD2-CD2 4.33Å; L345-F350 WeakPolarHBondContact O-CB 3.25Å; L345-F350 PolarHBondContact O-N 3.39Å; R346-F350 VanDerWaalsContact CA-O 3.23Å; R346-F350 WeakPolarHBondContact CA-O 3.26Å; F348-F350 HydrophobicContact CB-CD2 3.73Å; F348-F350 HydrophobicContact CB-CE2 3.92Å; F350-P352 WeakPolarHBondContact O-CD 3.4Å; F350-I370 HydrophobicContact CE2-CD1 3.57Å; F350-I370 HydrophobicContact CE2-CG1 4.21Å; F350-I370 HydrophobicContact CZ-CD1 3.78Å; F350-Y394 AromaticContact CD1-CD1 3.15Å; F350-Y394 HydrophobicContact CD1-CD1 3.15Å; F350-Y394 HydrophobicContact CD1-CD2 4.21Å; F350-Y394 AromaticContact CD1-CE1 3.41Å; F350-Y394 HydrophobicContact CD1-CE1 3.41Å; F350-Y394 VanDerWaalsContact CD1-CE1 3.41Å; F350-Y394 HydrophobicContact CD1-CE2 4.42Å; F350-Y394 AromaticContact CD1-CG 3.57Å; F350-Y394 HydrophobicContact CD1-CG 3.57Å; F350-Y394 AromaticContact CE1-CD1 3.29Å; F350-Y394 HydrophobicContact CE1-CD1 3.29Å; F350-Y394 AromaticContact CE1-CE1 3.6Å; F350-Y394 HydrophobicContact CE1-CE1 3.6Å; F350-Y394 HydrophobicContact CE1-CG 4.09Å; F350-Y394 HydrophobicContact CG-CD1 4.26Å; F350-Y394 HydrophobicContact CG-CE1 4.17Å; F350-Y394 HydrophobicContact CZ-CD1 4.47Å; F350-Y394 HydrophobicContact CZ-CE1 4.49Å; F350-L395 HydrophobicContact CE1-CD2 3.94Å; F350-L395 HydrophobicContact CE1-CG 4.24Å; F350-L395 HydrophobicContact CZ-CD2 4.23Å
351S65.9Low68.6Low30 Ų3072 Ų7221%0.2137%0.365CS..  trans-100.499.2170.337.20000108.7N353 Q354S351-N353 PolarHBondContact O-N 3.43Å; S351-Q354 VanDerWaalsContact CB-OE1 3.3Å; S351-Q354 PolarHBondContact O-N 3.2Å; S351-Q354 WeakPolarHBondContact OG-CB 3.06Å; S351-Q354 PolarHBondContact OG-OE1 3.35Å
352P56.8Low66.9Low26 Ų2673.5 Ų73.517%0.16937%0.374CS..THydrogen-bonded Turntrans-63.18.6-168.915.5-27000117.2V342 F350 Y390V342-P352 HydrophobicContact CB-CG 4.29Å; V342-P352 HydrophobicContact CG1-CG 3.86Å; V342-P352 HydrophobicContact CG2-CB 4.35Å; V342-P352 HydrophobicContact CG2-CG 4.05Å; F350-P352 WeakPolarHBondContact O-CD 3.4Å; P352-Y390 HydrophobicContact CB-CD1 3.39Å; P352-Y390 HydrophobicContact CB-CE1 3.72Å; P352-Y390 HydrophobicContact CB-CG 4.22Å
353N57Low65.6Low156 Ų15674.8 Ų74.883%0.83438%0.384SS*.THydrogen-bonded Turntrans-132.3-3.1174.1-72.8-38.1000114.2S351S351-N353 PolarHBondContact O-N 3.43Å
354Q53.7Low64.6Low111 Ų11174.7 Ų74.752%0.51940%0.396SS..  trans-89.5113.8178.1-68.7179.9-23.300109.8S351 Q356S351-Q354 VanDerWaalsContact CB-OE1 3.3Å; S351-Q354 PolarHBondContact O-N 3.2Å; S351-Q354 WeakPolarHBondContact OG-CB 3.06Å; S351-Q354 PolarHBondContact OG-OE1 3.35Å; Q354-Q356 PolarHBondContact O-N 2.82Å
355R50.5Low63.8Low220 Ų22075.6 Ų75.683%0.8340%0.402SS*.  trans-85.845166.3-62-177.3-178178.80.1111V397R355-V397 HydrophobicContact CB-CG1 4.34Å
356Q50.5Low63.5Low141 Ų14176.4 Ų76.466%0.65941%0.406SS*.SBendtrans-110.9148.7173.7-73.5-177.1-3.500109.4Q354Q354-Q356 PolarHBondContact O-N 2.82Å
357V51.7Low63.3Low57 Ų5769 Ų6935%0.34538%0.381SS..  trans-57.1130.5-178.8-174.10000109.5L359 P398V357-L359 PolarHBondContact O-N 3.27Å; V357-P398 HydrophobicContact CG2-CG 4.35Å
358P53.1Low63.2Low19 Ų1969.5 Ų69.512%0.12338%0.381CS..  trans-60.3107.1166.921.4-28.3000108.5I360 Y394P358-I360 PolarHBondContact O-N 2.96Å; P358-Y394 HydrophobicContact CB-CE1 3.86Å; P358-Y394 HydrophobicContact CG-CE1 4.03Å
359L46.6Very low63.4Low151 Ų15169.1 Ų69.179%0.79138%0.379SS*.  trans-72.1-9.8176.2-82.1161.2000112.2V357V357-L359 PolarHBondContact O-N 3.27Å
360I49.9Very low63.9Low142 Ų14266.7 Ų66.773%0.72835%0.354SS*.SBendtrans-135.5130.2-172.1-55.8177000111.1P358P358-I360 PolarHBondContact O-N 2.96Å
361I51.2Low64.6Low88 Ų8867 Ų6745%0.45136%0.357SS..PPolyproline II helixtrans-59.8130.1172.9-60.7159.4000109.6P363I361-P363 WeakPolarHBondContact O-CD 3.15Å
362P55Low65.7Low30 Ų3067.5 Ų67.520%0.19536%0.356CS..PPolyproline II helixtrans-65.8124.6167.212.7-10000109I366 V367P362-I366 HydrophobicContact CB-CB 3.86Å; P362-I366 HydrophobicContact CB-CG2 3.59Å; P362-V367 HydrophobicContact CG-CG2 4.45Å
363P61.7Low67.3Low63 Ų6366.3 Ų66.341%0.40935%0.348SS..PPolyproline II helixtrans-50.4154.8175.115.5-30.4000111.9I361 V365 I366 V367I361-P363 WeakPolarHBondContact O-CD 3.15Å; P363-V365 PolarHBondContact O-N 2.79Å; P363-I366 HydrophobicContact CG-CB 4.44Å; P363-I366 HydrophobicContact CG-CD1 3.65Å; P363-I366 HydrophobicContact CG-CG1 3.89Å; P363-I366 WeakPolarHBondContact O-CA 3.26Å; P363-I366 WeakPolarHBondContact O-CB 3.11Å; P363-I366 PolarHBondContact O-N 3.26Å; P363-V367 PolarHBondContact O-N 2.83Å
364G69Low69Low53 Ų5358.9 Ų58.955%0.54631%0.309SS..Hα-helixtrans-50.9-35.4-174.800000113.9I366 V367 D368G364-I366 PolarHBondContact O-N 2.88Å; G364-V367 WeakPolarHBondContact O-CB 3.49Å; G364-V367 PolarHBondContact O-N 3.09Å; G364-D368 PolarHBondContact O-N 2.67Å
365V75Confident70.7Confident20 Ų2057.5 Ų57.512%0.12130%0.301CS..Hα-helixtrans-58.5-45.7173.8178.50000112A300 D301 Y313 P363 V367 D368 Y369A300-V365 HydrophobicContact CB-CG1 3.49Å; A300-V365 VanDerWaalsContact CB-CG1 3.49Å; D301-V365 WeakPolarHBondContact OD1-CG2 3.44Å; Y313-V365 HydrophobicContact CE2-CG1 4.28Å; Y313-V365 HydrophobicContact CE2-CG2 4.19Å; P363-V365 PolarHBondContact O-N 2.79Å; V365-V367 VanDerWaalsContact C-N 3.33Å; V365-V367 PolarHBondContact O-N 3.49Å; V365-D368 PolarHBondContact O-N 3.21Å; V365-Y369 HydrophobicContact CG1-CD2 4.04Å; V365-Y369 HydrophobicContact CG1-CE2 3.75Å; V365-Y369 WeakPolarHBondContact O-CD2 3.11Å; V365-Y369 PolarHBondContact O-N 3.09Å; V365-Y369 VanDerWaalsContact O-N 3.1Å
366I81.9Confident72.5Confident18 Ų1847.8 Ų47.89%0.09227%0.266CS..Hα-helixtrans-66.4-36.4179.7-65.1-178.4000111I297 F348 P362 P363 G364 D368 Y369 I370I297-I366 HydrophobicContact CG2-CG1 4.49Å; F348-I366 HydrophobicContact CB-CG2 3.94Å; F348-I366 HydrophobicContact CG-CG2 4.35Å; P362-I366 HydrophobicContact CB-CB 3.86Å; P362-I366 HydrophobicContact CB-CG2 3.59Å; P363-I366 HydrophobicContact CG-CB 4.44Å; P363-I366 HydrophobicContact CG-CD1 3.65Å; P363-I366 HydrophobicContact CG-CG1 3.89Å; P363-I366 WeakPolarHBondContact O-CA 3.26Å; P363-I366 WeakPolarHBondContact O-CB 3.11Å; P363-I366 PolarHBondContact O-N 3.26Å; G364-I366 PolarHBondContact O-N 2.88Å; I366-D368 VanDerWaalsContact C-N 3.31Å; I366-D368 PolarHBondContact O-N 3.06Å; I366-Y369 PolarHBondContact O-N 2.96Å; I366-I370 HydrophobicContact CG2-CD1 3.77Å; I366-I370 HydrophobicContact CG2-CG1 4.17Å; I366-I370 VanDerWaalsContact O-CG1 3.25Å; I366-I370 WeakPolarHBondContact O-CG1 3.43Å; I366-I370 PolarHBondContact O-N 3.38Å
367V81.6Confident74.4Confident26 Ų2641 Ų4116%0.15824%0.235CC..Hα-helixtrans-59.5-43175.1168.50000111.3P362 P363 G364 V365 T371 L433P362-V367 HydrophobicContact CG-CG2 4.45Å; P363-V367 PolarHBondContact O-N 2.83Å; G364-V367 WeakPolarHBondContact O-CB 3.49Å; G364-V367 PolarHBondContact O-N 3.09Å; V365-V367 VanDerWaalsContact C-N 3.33Å; V365-V367 PolarHBondContact O-N 3.49Å; V367-T371 WeakPolarHBondContact O-CB 3.46Å; V367-T371 PolarHBondContact O-N 3.26Å; V367-T371 PolarHBondContact O-OG1 3.19Å; V367-L433 HydrophobicContact CB-CD1 4.41Å; V367-L433 HydrophobicContact CG1-CD1 3.88Å; V367-L433 HydrophobicContact CG2-CD1 4.4Å
368D83.9Confident76Confident39 Ų3940.7 Ų40.721%0.20923%0.229CC..Hα-helixtrans-64.9-41.3176.9-58.8-54.2000111.2K305 Y313 L317 G364 V365 I366 T371 E372K305-D368 WeakPolarHBondContact CE-OD2 3.42Å; K305-D368 IonicContact NZ-OD1 2.71Å; K305-D368 PolarHBondContact NZ-OD1 3.26Å; K305-D368 IonicContact NZ-OD2 2.71Å; K305-D368 PolarHBondContact NZ-OD2 2.93Å; Y313-D368 PolarHBondContact OH-OD2 3.15Å; L317-D368 HydrophobicContact CD1-CB 4.28Å; G364-D368 PolarHBondContact O-N 2.67Å; V365-D368 PolarHBondContact O-N 3.21Å; I366-D368 VanDerWaalsContact C-N 3.31Å; I366-D368 PolarHBondContact O-N 3.06Å; D368-T371 PolarHBondContact O-N 2.73Å; D368-E372 WeakPolarHBondContact O-CB 3.2Å; D368-E372 PolarHBondContact O-N 3.26Å
369Y87.3Confident77.4Confident0 Ų044.7 Ų44.70%025%0.254CS..Hα-helixtrans-65.5-43179.6-81.8-134.6000112L296 I297 A300 A316 L317 I320 F348 V365 I366 S373L296-Y369 HydrophobicContact CB-CE1 4.27Å; L296-Y369 PolarHBondContact O-OH 3.11Å; L296-Y369 VanDerWaalsContact O-OH 3.09Å; I297-Y369 HydrophobicContact CG1-CD1 3.9Å; I297-Y369 HydrophobicContact CG1-CE1 3.81Å; A300-Y369 HydrophobicContact CB-CE2 3.98Å; A300-Y369 WeakPolarHBondContact CB-OH 3.2Å; A316-Y369 VanDerWaalsContact CB-OH 3.25Å; A316-Y369 WeakPolarHBondContact CB-OH 3.47Å; L317-Y369 HydrophobicContact CB-CE2 4.49Å; L317-Y369 HydrophobicContact CD1-CD2 3.62Å; L317-Y369 HydrophobicContact CD1-CE2 3.91Å; L317-Y369 HydrophobicContact CD1-CG 4.31Å; I320-Y369 HydrophobicContact CB-CD1 4.45Å; I320-Y369 HydrophobicContact CD1-CD1 3.79Å; I320-Y369 HydrophobicContact CD1-CE1 3.83Å; I320-Y369 HydrophobicContact CG1-CD1 3.45Å; I320-Y369 VanDerWaalsContact CG1-CD1 3.45Å; I320-Y369 HydrophobicContact CG1-CE1 3.4Å; I320-Y369 HydrophobicContact CG1-CG 4.28Å; F348-Y369 AromaticContact CE1-CD1 3.94Å; F348-Y369 HydrophobicContact CE1-CD1 3.94Å; F348-Y369 HydrophobicContact CE1-CG 4.4Å; V365-Y369 HydrophobicContact CG1-CD2 4.04Å; V365-Y369 HydrophobicContact CG1-CE2 3.75Å; V365-Y369 WeakPolarHBondContact O-CD2 3.11Å; V365-Y369 PolarHBondContact O-N 3.09Å; V365-Y369 VanDerWaalsContact O-N 3.1Å; I366-Y369 PolarHBondContact O-N 2.96Å; Y369-S373 WeakPolarHBondContact O-CB 3.46Å; Y369-S373 PolarHBondContact O-N 3.28Å; Y369-S373 PolarHBondContact O-OG 2.97Å
370I87.7Confident79.3Confident1 Ų138.1 Ų38.11%0.00522%0.22CC..Hα-helixtrans-60.9-51.3173.8-65.3162.7000109.1F348 F350 I366 E372 S373 F374 L433 I437F348-I370 HydrophobicContact CB-CG1 4.49Å; F348-I370 HydrophobicContact CD2-CG1 3.71Å; F348-I370 HydrophobicContact CE2-CG1 4.18Å; F348-I370 HydrophobicContact CG-CG1 4.23Å; F350-I370 HydrophobicContact CE2-CD1 3.57Å; F350-I370 HydrophobicContact CE2-CG1 4.21Å; F350-I370 HydrophobicContact CZ-CD1 3.78Å; I366-I370 HydrophobicContact CG2-CD1 3.77Å; I366-I370 HydrophobicContact CG2-CG1 4.17Å; I366-I370 VanDerWaalsContact O-CG1 3.25Å; I366-I370 WeakPolarHBondContact O-CG1 3.43Å; I366-I370 PolarHBondContact O-N 3.38Å; I370-E372 VanDerWaalsContact C-N 3.34Å; I370-E372 PolarHBondContact O-N 2.87Å; I370-S373 WeakPolarHBondContact O-CB 3.42Å; I370-S373 PolarHBondContact O-N 3.05Å; I370-S373 VanDerWaalsContact O-N 3.11Å; I370-F374 HydrophobicContact CG2-CD2 3.84Å; I370-F374 HydrophobicContact CG2-CE2 3.86Å; I370-F374 WeakPolarHBondContact O-CD2 3.39Å; I370-F374 PolarHBondContact O-N 2.78Å; I370-L433 HydrophobicContact CB-CD1 4.37Å; I370-L433 HydrophobicContact CD1-CD1 4.44Å; I370-L433 HydrophobicContact CD1-CD2 3.93Å; I370-L433 HydrophobicContact CG2-CD1 4.14Å; I370-I437 HydrophobicContact CG2-CD1 3.86Å; I370-I437 HydrophobicContact CG2-CG1 4.42Å
371T87.2Confident81Confident17 Ų1732.9 Ų32.910%0.10420%0.197CC..Hα-helixtrans-60-44.7-176.7-55.90000111.7V367 D368 S373 F374 K375 N440V367-T371 WeakPolarHBondContact O-CB 3.46Å; V367-T371 PolarHBondContact O-N 3.26Å; V367-T371 PolarHBondContact O-OG1 3.19Å; D368-T371 PolarHBondContact O-N 2.73Å; T371-S373 VanDerWaalsContact C-N 3.33Å; T371-S373 PolarHBondContact O-N 3.19Å; T371-F374 PolarHBondContact O-N 3.36Å; T371-K375 WeakPolarHBondContact O-CB 3.32Å; T371-K375 PolarHBondContact O-N 3.11Å; T371-N440 HydrophobicContact CG2-CB 4.27Å; T371-N440 WeakPolarHBondContact CG2-ND2 3.06Å
372E88.7Confident82.8Confident39 Ų3929.4 Ų29.418%0.18218%0.179CC..Hα-helixtrans-67.8-33.8177-164.264-149.600111.8L317 D368 I370 K375 S376L317-E372 HydrophobicContact CD1-CB 3.75Å; L317-E372 HydrophobicContact CD1-CG 4.17Å; L317-E372 HydrophobicContact CG-CB 4.23Å; L317-E372 HydrophobicContact CG-CG 4.12Å; D368-E372 WeakPolarHBondContact O-CB 3.2Å; D368-E372 PolarHBondContact O-N 3.26Å; I370-E372 VanDerWaalsContact C-N 3.34Å; I370-E372 PolarHBondContact O-N 2.87Å; E372-K375 PolarHBondContact O-N 3.41Å; E372-K375 IonicContact OE1-NZ 3.5Å; E372-K375 PolarHBondContact OE1-NZ 3.43Å; E372-K375 IonicContact OE2-NZ 2.76Å; E372-K375 PolarHBondContact OE2-NZ 3.2Å; E372-S376 WeakPolarHBondContact O-CB 3.27Å; E372-S376 PolarHBondContact O-N 3.02Å; E372-S376 PolarHBondContact O-OG 2.58Å
373S91Very high84.5Confident1 Ų128 Ų281%0.00717%0.17CC..Hα-helixtrans-63-42.8173.8-58.80000111.9I320 Y369 I370 T371 S376 A377I320-S373 WeakPolarHBondContact CG2-OG 3.07Å; Y369-S373 WeakPolarHBondContact O-CB 3.46Å; Y369-S373 PolarHBondContact O-N 3.28Å; Y369-S373 PolarHBondContact O-OG 2.97Å; I370-S373 WeakPolarHBondContact O-CB 3.42Å; I370-S373 PolarHBondContact O-N 3.05Å; I370-S373 VanDerWaalsContact O-N 3.11Å; T371-S373 VanDerWaalsContact C-N 3.33Å; T371-S373 PolarHBondContact O-N 3.19Å; S373-S376 WeakPolarHBondContact CA-OG 3.42Å; S373-S376 PolarHBondContact O-OG 3.48Å; S373-S376 VanDerWaalsContact O-OG 3.08Å; S373-A377 VanDerWaalsContact O-CB 3.24Å; S373-A377 WeakPolarHBondContact O-CB 3.23Å; S373-A377 PolarHBondContact O-N 3.34Å
374F91.5Very high85.9Confident1 Ų125 Ų250%0.00415%0.151CC..Hα-helixtrans-66.7-42.4175.6-87.5-87.9000112.2I370 T371 A377 Q378 L384 L387 F388 T391 I437 I441I370-F374 HydrophobicContact CG2-CD2 3.84Å; I370-F374 HydrophobicContact CG2-CE2 3.86Å; I370-F374 WeakPolarHBondContact O-CD2 3.39Å; I370-F374 PolarHBondContact O-N 2.78Å; T371-F374 PolarHBondContact O-N 3.36Å; F374-A377 PolarHBondContact O-N 2.6Å; F374-Q378 PolarHBondContact O-N 3.46Å; F374-L384 HydrophobicContact CD1-CD1 3.67Å; F374-L384 HydrophobicContact CE1-CD1 4.29Å; F374-L387 HydrophobicContact CE1-CB 3.77Å; F374-L387 HydrophobicContact CZ-CB 3.73Å; F374-F388 HydrophobicContact CD1-CE1 4.14Å; F374-F388 HydrophobicContact CD1-CZ 4.09Å; F374-F388 AromaticContact CE1-CD1 3.71Å; F374-F388 HydrophobicContact CE1-CD1 3.71Å; F374-F388 HydrophobicContact CE1-CD2 4.4Å; F374-F388 AromaticContact CE1-CE1 3.64Å; F374-F388 HydrophobicContact CE1-CE1 3.64Å; F374-F388 HydrophobicContact CE1-CE2 4.34Å; F374-F388 HydrophobicContact CE1-CG 4.1Å; F374-F388 AromaticContact CE1-CZ 3.96Å; F374-F388 HydrophobicContact CE1-CZ 3.96Å; F374-F388 HydrophobicContact CZ-CD1 4.39Å; F374-T391 HydrophobicContact CE2-CG2 3.99Å; F374-T391 HydrophobicContact CZ-CG2 3.81Å; F374-T391 WeakPolarHBondContact CZ-OG1 3.31Å; F374-I437 HydrophobicContact CB-CG2 3.96Å; F374-I437 HydrophobicContact CD1-CG2 3.43Å; F374-I437 VanDerWaalsContact CD1-CG2 3.43Å; F374-I437 HydrophobicContact CD2-CD1 3.87Å; F374-I437 HydrophobicContact CD2-CG1 3.94Å; F374-I437 HydrophobicContact CD2-CG2 4.04Å; F374-I437 HydrophobicContact CE1-CG2 3.91Å; F374-I437 HydrophobicContact CE2-CD1 3.82Å; F374-I437 HydrophobicContact CE2-CG1 4.4Å; F374-I437 HydrophobicContact CE2-CG2 4.47Å; F374-I437 HydrophobicContact CG-CB 4.47Å; F374-I437 HydrophobicContact CG-CD1 4.46Å; F374-I437 HydrophobicContact CG-CG1 4.19Å; F374-I437 HydrophobicContact CG-CG2 3.52Å; F374-I437 HydrophobicContact CZ-CD1 4.36Å; F374-I437 HydrophobicContact CZ-CG2 4.42Å; F374-I441 HydrophobicContact CB-CD1 4.25Å; F374-I441 HydrophobicContact CD1-CD1 4.02Å
375K89Confident86.7Confident82 Ų8222.5 Ų22.536%0.35713%0.125SC..Hα-helixtrans-63.9-40.7178.2-177.9-174.7164.6-151.20112.3T371 E372 Q378T371-K375 WeakPolarHBondContact O-CB 3.32Å; T371-K375 PolarHBondContact O-N 3.11Å; E372-K375 PolarHBondContact O-N 3.41Å; E372-K375 IonicContact OE1-NZ 3.5Å; E372-K375 PolarHBondContact OE1-NZ 3.43Å; E372-K375 IonicContact OE2-NZ 2.76Å; E372-K375 PolarHBondContact OE2-NZ 3.2Å; K375-Q378 WeakPolarHBondContact O-CB 3.37Å; K375-Q378 WeakPolarHBondContact O-CG 3.36Å; K375-Q378 PolarHBondContact O-NE2 2.88Å
376S88.5Confident87.3Confident15 Ų1521.8 Ų21.811%0.10512%0.121CC..Hα-helixtrans-74.3-30177.350.80000112.8S321 V324 E372 S373 Q378S321-S376 WeakPolarHBondContact OG-CB 3.38Å; V324-S376 VanDerWaalsContact CB-OG 3.26Å; V324-S376 WeakPolarHBondContact CB-OG 3.41Å; V324-S376 VanDerWaalsContact CG1-OG 3.24Å; V324-S376 WeakPolarHBondContact CG1-OG 3.39Å; E372-S376 WeakPolarHBondContact O-CB 3.27Å; E372-S376 PolarHBondContact O-N 3.02Å; E372-S376 PolarHBondContact O-OG 2.58Å; S373-S376 WeakPolarHBondContact CA-OG 3.42Å; S373-S376 PolarHBondContact O-OG 3.48Å; S373-S376 VanDerWaalsContact O-OG 3.08Å; S376-Q378 PolarHBondContact O-N 3.09Å
377A90.1Very high87.7Confident0 Ų021 Ų210%012%0.117CC..G310 helixtrans-74.4-7.717500000114.2V324 S373 F374 T379 N380 L383 L384 L387V324-A377 HydrophobicContact CG1-CB 3.79Å; S373-A377 VanDerWaalsContact O-CB 3.24Å; S373-A377 WeakPolarHBondContact O-CB 3.23Å; S373-A377 PolarHBondContact O-N 3.34Å; F374-A377 PolarHBondContact O-N 2.6Å; A377-T379 PolarHBondContact O-N 3.44Å; A377-N380 PolarHBondContact O-N 2.92Å; A377-L383 HydrophobicContact CB-CD2 4.07Å; A377-L383 HydrophobicContact CB-CG 4.09Å; A377-L384 HydrophobicContact CB-CD1 4.09Å; A377-L387 HydrophobicContact CB-CD1 3.58Å
378Q85.9Confident88Confident49 Ų4919.8 Ų19.823%0.22911%0.109CC..G310 helixtrans-60-24-171.377.1-177.8-58.900114.7F374 K375 S376 N380 N445F374-Q378 PolarHBondContact O-N 3.46Å; K375-Q378 WeakPolarHBondContact O-CB 3.37Å; K375-Q378 WeakPolarHBondContact O-CG 3.36Å; K375-Q378 PolarHBondContact O-NE2 2.88Å; S376-Q378 PolarHBondContact O-N 3.09Å; Q378-N380 VanDerWaalsContact C-N 3.34Å; Q378-N445 VanDerWaalsContact O-CG 3.29Å; Q378-N445 PolarHBondContact O-ND2 3.26Å
379T82.9Confident88Confident104 Ų10420.1 Ų20.164%0.63811%0.111SC*.G310 helixtrans-76.9-19.5179.351.10000113A377A377-T379 PolarHBondContact O-N 3.44Å
380N86.9Confident87.8Confident13 Ų1322.7 Ų22.77%0.0712%0.121CC..  trans-118.699.1-179.6-172.3-35000110.3S328 N332 A377 Q378 L382 L383 L384S328-N380 PolarHBondContact O-ND2 3.36Å; N332-N380 PolarHBondContact OD1-ND2 2.65Å; A377-N380 PolarHBondContact O-N 2.92Å; Q378-N380 VanDerWaalsContact C-N 3.34Å; N380-L382 PolarHBondContact O-N 3Å; N380-L382 WeakPolarHBondContact OD1-CB 3.35Å; N380-L382 PolarHBondContact OD1-N 3.2Å; N380-L382 VanDerWaalsContact OD1-N 3.12Å; N380-L383 HydrophobicContact CB-CB 4.15Å; N380-L383 PolarHBondContact O-N 3.43Å; N380-L383 PolarHBondContact OD1-N 3.34Å; N380-L383 VanDerWaalsContact OD1-N 3.15Å; N380-L384 WeakPolarHBondContact O-CB 3.35Å; N380-L384 PolarHBondContact O-N 3.33Å
381A86Confident87.5Confident32 Ų3222.7 Ų22.726%0.26412%0.121SC..Hα-helixtrans-58.5-31.7-177.700000113.4S385 N448A381-S385 WeakPolarHBondContact O-CB 3.42Å; A381-S385 PolarHBondContact O-N 3.15Å; A381-N448 HydrophobicContact CB-CB 4.44Å
382L88.3Confident87.2Confident14 Ų1421.9 Ų21.97%0.07312%0.116CC..Hα-helixtrans-69-50.1177.2171.865.7000110.9N332 K334 L337 N380 L384 S385 I386 Y452N332-L382 WeakPolarHBondContact O-CD2 3.49Å; K334-L382 HydrophobicContact CB-CD2 4.47Å; K334-L382 HydrophobicContact CG-CD1 4.47Å; L337-L382 HydrophobicContact CD1-CD2 3.72Å; L337-L382 HydrophobicContact CD1-CG 3.99Å; N380-L382 PolarHBondContact O-N 3Å; N380-L382 WeakPolarHBondContact OD1-CB 3.35Å; N380-L382 PolarHBondContact OD1-N 3.2Å; N380-L382 VanDerWaalsContact OD1-N 3.12Å; L382-L384 VanDerWaalsContact C-N 3.31Å; L382-L384 PolarHBondContact O-N 3.09Å; L382-S385 WeakPolarHBondContact O-CB 3.26Å; L382-S385 PolarHBondContact O-N 2.91Å; L382-I386 HydrophobicContact CD1-CD1 3.94Å; L382-I386 HydrophobicContact CD1-CG1 4.3Å; L382-I386 HydrophobicContact CG-CD1 3.97Å; L382-I386 VanDerWaalsContact O-CG1 3.26Å; L382-I386 WeakPolarHBondContact O-CG1 3.38Å; L382-I386 PolarHBondContact O-N 3.44Å; L382-Y452 HydrophobicContact CB-CE1 4.37Å; L382-Y452 HydrophobicContact CB-CE2 4.33Å; L382-Y452 HydrophobicContact CD1-CD1 4.05Å; L382-Y452 HydrophobicContact CD1-CE1 3.34Å; L382-Y452 HydrophobicContact CG-CE1 4.41Å
383L90.9Very high86.6Confident0 Ų022 Ų220%012%0.121CC..Hα-helixtrans-61.1-42.7177177.756.4000111.1V324 L337 F340 T341 A377 N380 S385 I386 L387V324-L383 HydrophobicContact CG1-CD2 3.96Å; L337-L383 HydrophobicContact CB-CD1 4.44Å; L337-L383 HydrophobicContact CD1-CB 4.41Å; L337-L383 HydrophobicContact CD2-CB 4.47Å; L337-L383 HydrophobicContact CD2-CD1 4.19Å; L337-L383 HydrophobicContact CD2-CD2 4.47Å; F340-L383 HydrophobicContact CD1-CD1 4.23Å; F340-L383 HydrophobicContact CE1-CD1 4.48Å; T341-L383 WeakPolarHBondContact OG1-CD1 3.47Å; A377-L383 HydrophobicContact CB-CD2 4.07Å; A377-L383 HydrophobicContact CB-CG 4.09Å; N380-L383 HydrophobicContact CB-CB 4.15Å; N380-L383 PolarHBondContact O-N 3.43Å; N380-L383 PolarHBondContact OD1-N 3.34Å; N380-L383 VanDerWaalsContact OD1-N 3.15Å; L383-S385 VanDerWaalsContact C-N 3.33Å; L383-S385 PolarHBondContact O-N 3.26Å; L383-I386 PolarHBondContact O-N 3.16Å; L383-L387 HydrophobicContact CD1-CD1 4.46Å; L383-L387 HydrophobicContact CD1-CG 4.4Å; L383-L387 HydrophobicContact CG-CD1 4.25Å; L383-L387 WeakPolarHBondContact O-CG 3.49Å; L383-L387 PolarHBondContact O-N 3.38Å
384L90.2Very high85.8Confident0 Ų023.7 Ų23.70%013%0.127CC..Hα-helixtrans-63-40177.3-166.163.8000111.8F374 A377 N380 L382 L387 F388 I441 A449F374-L384 HydrophobicContact CD1-CD1 3.67Å; F374-L384 HydrophobicContact CE1-CD1 4.29Å; A377-L384 HydrophobicContact CB-CD1 4.09Å; N380-L384 WeakPolarHBondContact O-CB 3.35Å; N380-L384 PolarHBondContact O-N 3.33Å; L382-L384 VanDerWaalsContact C-N 3.31Å; L382-L384 PolarHBondContact O-N 3.09Å; L384-L387 PolarHBondContact O-N 3.48Å; L384-F388 HydrophobicContact CD1-CE2 4.09Å; L384-F388 HydrophobicContact CD2-CE2 4.19Å; L384-F388 HydrophobicContact CG-CD2 4.06Å; L384-F388 HydrophobicContact CG-CE2 3.72Å; L384-F388 WeakPolarHBondContact O-CD2 3.38Å; L384-F388 PolarHBondContact O-N 3.46Å; L384-I441 HydrophobicContact CD1-CD1 4.08Å; L384-I441 HydrophobicContact CD2-CD1 4.41Å; L384-I441 HydrophobicContact CD2-CG2 4.02Å; L384-A449 HydrophobicContact CB-CB 3.7Å; L384-A449 HydrophobicContact CD2-CB 3.54Å; L384-A449 HydrophobicContact CG-CB 3.66Å
385S87.3Confident85Confident2 Ų224.3 Ų24.31%0.01413%0.13CC..Hα-helixtrans-62.6-44.4173.8-178.60000112.3A381 L382 L383 F388 N389 A449A381-S385 WeakPolarHBondContact O-CB 3.42Å; A381-S385 PolarHBondContact O-N 3.15Å; L382-S385 WeakPolarHBondContact O-CB 3.26Å; L382-S385 PolarHBondContact O-N 2.91Å; L383-S385 VanDerWaalsContact C-N 3.33Å; L383-S385 PolarHBondContact O-N 3.26Å; S385-F388 PolarHBondContact O-N 2.97Å; S385-N389 WeakPolarHBondContact O-CB 3.3Å; S385-N389 PolarHBondContact O-N 3.15Å; S385-A449 WeakPolarHBondContact CB-O 3.35Å; S385-A449 PolarHBondContact OG-O 3.06Å
386I87.3Confident84.1Confident4 Ų420.6 Ų20.62%0.02111%0.114CC..Hα-helixtrans-62.8-45.8177-65.8164.2000110.5K334 L337 E338 T341 L382 L383 F388 N389 Y390K334-I386 HydrophobicContact CG-CD1 4.31Å; L337-I386 HydrophobicContact CB-CD1 3.74Å; L337-I386 HydrophobicContact CD1-CD1 4.5Å; E338-I386 HydrophobicContact CG-CD1 4.15Å; E338-I386 HydrophobicContact CG-CG1 4.39Å; E338-I386 HydrophobicContact CG-CG2 3.96Å; T341-I386 HydrophobicContact CG2-CG2 4.01Å; L382-I386 HydrophobicContact CD1-CD1 3.94Å; L382-I386 HydrophobicContact CD1-CG1 4.3Å; L382-I386 HydrophobicContact CG-CD1 3.97Å; L382-I386 VanDerWaalsContact O-CG1 3.26Å; L382-I386 WeakPolarHBondContact O-CG1 3.38Å; L382-I386 PolarHBondContact O-N 3.44Å; L383-I386 PolarHBondContact O-N 3.16Å; I386-F388 VanDerWaalsContact C-N 3.35Å; I386-F388 PolarHBondContact O-N 3.47Å; I386-N389 WeakPolarHBondContact O-CB 3.33Å; I386-N389 PolarHBondContact O-N 2.85Å; I386-N389 VanDerWaalsContact O-N 3.16Å; I386-Y390 HydrophobicContact CG2-CD2 3.83Å; I386-Y390 HydrophobicContact CG2-CE2 3.62Å; I386-Y390 VanDerWaalsContact O-CD2 3.23Å; I386-Y390 WeakPolarHBondContact O-CD2 3.4Å; I386-Y390 PolarHBondContact O-N 3.34Å; I386-Y390 VanDerWaalsContact O-N 3.15Å
387L89.6Confident83Confident2 Ų221.2 Ų21.21%0.0112%0.117CC..Hα-helixtrans-55.5-49.8174.7-78.5167.2000111.1T341 L344 L345 F374 A377 L383 L384 N389 Y390 T391T341-L387 HydrophobicContact CG2-CD2 3.72Å; T341-L387 HydrophobicContact CG2-CG 4.25Å; L344-L387 HydrophobicContact CD2-CD2 4.46Å; L345-L387 HydrophobicContact CD2-CD2 4.44Å; F374-L387 HydrophobicContact CE1-CB 3.77Å; F374-L387 HydrophobicContact CZ-CB 3.73Å; A377-L387 HydrophobicContact CB-CD1 3.58Å; L383-L387 HydrophobicContact CD1-CD1 4.46Å; L383-L387 HydrophobicContact CD1-CG 4.4Å; L383-L387 HydrophobicContact CG-CD1 4.25Å; L383-L387 WeakPolarHBondContact O-CG 3.49Å; L383-L387 PolarHBondContact O-N 3.38Å; L384-L387 PolarHBondContact O-N 3.48Å; L387-N389 VanDerWaalsContact C-N 3.32Å; L387-N389 PolarHBondContact O-N 2.87Å; L387-Y390 PolarHBondContact O-N 3.4Å; L387-T391 WeakPolarHBondContact O-CB 3.48Å; L387-T391 WeakPolarHBondContact O-CG2 3.33Å; L387-T391 PolarHBondContact O-N 3.49Å; L387-T391 PolarHBondContact O-OG1 2.86Å
388F87.5Confident81.6Confident0 Ų022 Ų220%012%0.123CC..Hα-helixtrans-60.9-39176.5-81.4-52.9000113.3F374 L384 S385 I386 Y390 T391 I392 I437 F438 I441 L446 A449 L450 T456F374-F388 HydrophobicContact CD1-CE1 4.14Å; F374-F388 HydrophobicContact CD1-CZ 4.09Å; F374-F388 AromaticContact CE1-CD1 3.71Å; F374-F388 HydrophobicContact CE1-CD1 3.71Å; F374-F388 HydrophobicContact CE1-CD2 4.4Å; F374-F388 AromaticContact CE1-CE1 3.64Å; F374-F388 HydrophobicContact CE1-CE1 3.64Å; F374-F388 HydrophobicContact CE1-CE2 4.34Å; F374-F388 HydrophobicContact CE1-CG 4.1Å; F374-F388 AromaticContact CE1-CZ 3.96Å; F374-F388 HydrophobicContact CE1-CZ 3.96Å; F374-F388 HydrophobicContact CZ-CD1 4.39Å; L384-F388 HydrophobicContact CD1-CE2 4.09Å; L384-F388 HydrophobicContact CD2-CE2 4.19Å; L384-F388 HydrophobicContact CG-CD2 4.06Å; L384-F388 HydrophobicContact CG-CE2 3.72Å; L384-F388 WeakPolarHBondContact O-CD2 3.38Å; L384-F388 PolarHBondContact O-N 3.46Å; S385-F388 PolarHBondContact O-N 2.97Å; I386-F388 VanDerWaalsContact C-N 3.35Å; I386-F388 PolarHBondContact O-N 3.47Å; F388-Y390 VanDerWaalsContact C-N 3.27Å; F388-Y390 PolarHBondContact O-N 2.93Å; F388-T391 PolarHBondContact O-N 2.96Å; F388-I392 HydrophobicContact CB-CD1 3.79Å; F388-I392 HydrophobicContact CB-CG1 4.42Å; F388-I392 HydrophobicContact CD1-CD1 3.63Å; F388-I392 HydrophobicContact CD1-CG1 3.93Å; F388-I392 HydrophobicContact CG-CD1 4.01Å; F388-I392 WeakPolarHBondContact O-CB 3.25Å; F388-I392 WeakPolarHBondContact O-CG1 3.28Å; F388-I392 PolarHBondContact O-N 3.36Å; F388-I437 HydrophobicContact CE1-CG2 3.91Å; F388-I437 HydrophobicContact CZ-CG2 4.16Å; F388-F438 HydrophobicContact CE1-CD1 4.23Å; F388-F438 AromaticContact CE1-CE1 3.71Å; F388-F438 HydrophobicContact CE1-CE1 3.71Å; F388-F438 HydrophobicContact CZ-CD1 4.25Å; F388-F438 HydrophobicContact CZ-CE1 4.03Å; F388-I441 HydrophobicContact CE2-CD1 4.2Å; F388-I441 HydrophobicContact CZ-CD1 3.65Å; F388-L446 HydrophobicContact CE2-CD1 3.72Å; F388-L446 HydrophobicContact CZ-CD1 3.47Å; F388-L446 VanDerWaalsContact CZ-CD1 3.47Å; F388-A449 HydrophobicContact CD2-CB 4.47Å; F388-L450 HydrophobicContact CB-CD2 4.34Å; F388-L450 HydrophobicContact CD2-CD2 3.8Å; F388-L450 HydrophobicContact CD2-CG 4.49Å; F388-L450 HydrophobicContact CE2-CD2 4.19Å; F388-L450 HydrophobicContact CG-CD2 3.99Å; F388-T456 HydrophobicContact CB-CG2 3.94Å
389N83.8Confident80.7Confident46 Ų4620 Ų2025%0.24611%0.114CC..Hα-helixtrans-61.4-33.6177.7-92.7-23.5000113.4S385 I386 L387 P393 D453 T456S385-N389 WeakPolarHBondContact O-CB 3.3Å; S385-N389 PolarHBondContact O-N 3.15Å; I386-N389 WeakPolarHBondContact O-CB 3.33Å; I386-N389 PolarHBondContact O-N 2.85Å; I386-N389 VanDerWaalsContact O-N 3.16Å; L387-N389 VanDerWaalsContact C-N 3.32Å; L387-N389 PolarHBondContact O-N 2.87Å; N389-P393 WeakPolarHBondContact O-CD 3.41Å; N389-P393 WeakPolarHBondContact O-CG 3.38Å; N389-D453 PolarHBondContact ND2-OD2 3.25Å; N389-T456 PolarHBondContact OD1-OG1 3.31Å
390Y83Confident79.8Confident55 Ų5516.9 Ų16.922%0.2169%0.093CC..Hα-helixtrans-88.5-34.9176.3-71.9-69.5000112.9T341 V342 L345 P352 I386 L387 F388T341-Y390 HydrophobicContact CG2-CD2 3.77Å; T341-Y390 HydrophobicContact CG2-CE2 4.38Å; V342-Y390 HydrophobicContact CG2-CE1 4.29Å; V342-Y390 HydrophobicContact CG2-CE2 4.32Å; L345-Y390 HydrophobicContact CD1-CG 4.23Å; P352-Y390 HydrophobicContact CB-CD1 3.39Å; P352-Y390 HydrophobicContact CB-CE1 3.72Å; P352-Y390 HydrophobicContact CB-CG 4.22Å; I386-Y390 HydrophobicContact CG2-CD2 3.83Å; I386-Y390 HydrophobicContact CG2-CE2 3.62Å; I386-Y390 VanDerWaalsContact O-CD2 3.23Å; I386-Y390 WeakPolarHBondContact O-CD2 3.4Å; I386-Y390 PolarHBondContact O-N 3.34Å; I386-Y390 VanDerWaalsContact O-N 3.15Å; L387-Y390 PolarHBondContact O-N 3.4Å; F388-Y390 VanDerWaalsContact C-N 3.27Å; F388-Y390 PolarHBondContact O-N 2.93Å
391T82.5Confident78.6Confident1 Ų118 Ų181%0.00610%0.102CC..Hα-helixtrans-84.6-42.7-174.8610000113.8L345 F374 L387 F388 Y394 L395L345-T391 HydrophobicContact CD1-CG2 4.05Å; L345-T391 HydrophobicContact CD2-CG2 3.85Å; F374-T391 HydrophobicContact CE2-CG2 3.99Å; F374-T391 HydrophobicContact CZ-CG2 3.81Å; F374-T391 WeakPolarHBondContact CZ-OG1 3.31Å; L387-T391 WeakPolarHBondContact O-CB 3.48Å; L387-T391 WeakPolarHBondContact O-CG2 3.33Å; L387-T391 PolarHBondContact O-N 3.49Å; L387-T391 PolarHBondContact O-OG1 2.86Å; F388-T391 PolarHBondContact O-N 2.96Å; T391-Y394 PolarHBondContact O-N 3.08Å; T391-Y394 VanDerWaalsContact O-N 3.16Å; T391-L395 WeakPolarHBondContact O-CB 3.33Å; T391-L395 WeakPolarHBondContact O-CG 3.35Å; T391-L395 PolarHBondContact O-N 2.84Å
392I81Confident76.9Confident0 Ų021.5 Ų21.50%012%0.116CC..Hα-helixtrans-60.5-50.3-176.9-68.1165.9000110.7F388 Y394 L395 C396 L434 L450 T456 L460F388-I392 HydrophobicContact CB-CD1 3.79Å; F388-I392 HydrophobicContact CB-CG1 4.42Å; F388-I392 HydrophobicContact CD1-CD1 3.63Å; F388-I392 HydrophobicContact CD1-CG1 3.93Å; F388-I392 HydrophobicContact CG-CD1 4.01Å; F388-I392 WeakPolarHBondContact O-CB 3.25Å; F388-I392 WeakPolarHBondContact O-CG1 3.28Å; F388-I392 PolarHBondContact O-N 3.36Å; I392-Y394 PolarHBondContact O-N 3.26Å; I392-L395 PolarHBondContact O-N 2.94Å; I392-C396 WeakPolarHBondContact O-CB 3.25Å; I392-C396 PolarHBondContact O-N 3.41Å; I392-L434 HydrophobicContact CG1-CD1 4.39Å; I392-L450 HydrophobicContact CD1-CD2 4.36Å; I392-T456 HydrophobicContact CD1-CG2 3.72Å; I392-L460 HydrophobicContact CD1-CD1 4.24Å; I392-L460 HydrophobicContact CD1-CD2 3.87Å; I392-L460 HydrophobicContact CD1-CG 4.09Å; I392-L460 HydrophobicContact CG2-CD2 4.23Å
393P75.6Confident75Confident42 Ų4224.6 Ų24.627%0.27314%0.139SC..Hα-helixtrans-59.8-36.6178.4-25.437.5000112N389 V397N389-P393 WeakPolarHBondContact O-CD 3.41Å; N389-P393 WeakPolarHBondContact O-CG 3.38Å; P393-V397 VanDerWaalsContact O-CA 3.32Å; P393-V397 WeakPolarHBondContact O-CA 3.37Å; P393-V397 WeakPolarHBondContact O-CG2 3.38Å; P393-V397 PolarHBondContact O-N 3.32Å
394Y73.5Confident73.1Confident35 Ų3526.4 Ų26.414%0.13715%0.146CC..Hα-helixtrans-71.4-49.6-179.8-174.7-86.7000112.9F350 P358 T391 I392 C396F350-Y394 AromaticContact CD1-CD1 3.15Å; F350-Y394 HydrophobicContact CD1-CD1 3.15Å; F350-Y394 HydrophobicContact CD1-CD2 4.21Å; F350-Y394 AromaticContact CD1-CE1 3.41Å; F350-Y394 HydrophobicContact CD1-CE1 3.41Å; F350-Y394 VanDerWaalsContact CD1-CE1 3.41Å; F350-Y394 HydrophobicContact CD1-CE2 4.42Å; F350-Y394 AromaticContact CD1-CG 3.57Å; F350-Y394 HydrophobicContact CD1-CG 3.57Å; F350-Y394 AromaticContact CE1-CD1 3.29Å; F350-Y394 HydrophobicContact CE1-CD1 3.29Å; F350-Y394 AromaticContact CE1-CE1 3.6Å; F350-Y394 HydrophobicContact CE1-CE1 3.6Å; F350-Y394 HydrophobicContact CE1-CG 4.09Å; F350-Y394 HydrophobicContact CG-CD1 4.26Å; F350-Y394 HydrophobicContact CG-CE1 4.17Å; F350-Y394 HydrophobicContact CZ-CD1 4.47Å; F350-Y394 HydrophobicContact CZ-CE1 4.49Å; P358-Y394 HydrophobicContact CB-CE1 3.86Å; P358-Y394 HydrophobicContact CG-CE1 4.03Å; T391-Y394 PolarHBondContact O-N 3.08Å; T391-Y394 VanDerWaalsContact O-N 3.16Å; I392-Y394 PolarHBondContact O-N 3.26Å; Y394-C396 PolarHBondContact O-N 3.21Å
395L74.4Confident71Confident14 Ų1431.1 Ų31.17%0.07317%0.17CC..Hα-helixtrans-68.4-25.6179.4-65.9175.7000112.1F350 T391 I392 C430 L433 L434F350-L395 HydrophobicContact CE1-CD2 3.94Å; F350-L395 HydrophobicContact CE1-CG 4.24Å; F350-L395 HydrophobicContact CZ-CD2 4.23Å; T391-L395 WeakPolarHBondContact O-CB 3.33Å; T391-L395 WeakPolarHBondContact O-CG 3.35Å; T391-L395 PolarHBondContact O-N 2.84Å; I392-L395 PolarHBondContact O-N 2.94Å; L395-C430 HydrophobicContact CD2-CB 4.36Å; L395-L433 HydrophobicContact CD1-CD2 4.2Å; L395-L433 HydrophobicContact CD2-CD2 3.92Å; L395-L434 HydrophobicContact CD1-CD1 4.38Å
396C71Confident68.7Low4 Ų438 Ų383%0.02721%0.207CC..THydrogen-bonded Turntrans-115.911-175-54.80000114.5I392 Y394 P398 L399 L400 L463I392-C396 WeakPolarHBondContact O-CB 3.25Å; I392-C396 PolarHBondContact O-N 3.41Å; Y394-C396 PolarHBondContact O-N 3.21Å; C396-P398 VanDerWaalsContact C-N 3.28Å; C396-P398 VanDerWaalsContact O-N 3.14Å; C396-L399 CarbonylContact O-C 3.6Å; C396-L399 PolarHBondContact O-N 2.85Å; C396-L400 HydrophobicContact CB-CD1 4.18Å; C396-L400 HydrophobicContact CB-CG 4.2Å; C396-L400 WeakPolarHBondContact O-CG 3.44Å; C396-L400 PolarHBondContact O-N 3.34Å; C396-L463 HydrophobicContact CB-CD1 3.93Å; C396-L463 HydrophobicContact CB-CD2 4.28Å
397V66.3Low66.5Low28 Ų2839.4 Ų39.417%0.1722%0.217CC..THydrogen-bonded Turntrans-44.4-49.3179.3-179.60000111.9R355 P393 L400R355-V397 HydrophobicContact CB-CG1 4.34Å; P393-V397 VanDerWaalsContact O-CA 3.32Å; P393-V397 WeakPolarHBondContact O-CA 3.37Å; P393-V397 WeakPolarHBondContact O-CG2 3.38Å; P393-V397 PolarHBondContact O-N 3.32Å; V397-L400 PolarHBondContact O-N 3Å
398P59.7Low64.2Low17 Ų1746.2 Ų46.211%0.1125%0.253CS..G310 helixtrans-63.4-48.1-177.8-18.732.6000111.1V357 C396 L400 S401 Y404 W427V357-P398 HydrophobicContact CG2-CG 4.35Å; C396-P398 VanDerWaalsContact C-N 3.28Å; C396-P398 VanDerWaalsContact O-N 3.14Å; P398-L400 PolarHBondContact O-N 3.49Å; P398-S401 PolarHBondContact O-N 3.39Å; P398-S401 PolarHBondContact O-OG 3.11Å; P398-Y404 WeakPolarHBondContact O-CE2 3.43Å; P398-W427 HydrophobicContact CB-CH2 4.17Å; P398-W427 HydrophobicContact CB-CZ2 3.52Å; P398-W427 HydrophobicContact CG-CZ2 4.15Å
399L67Low61.7Low7 Ų752 Ų524%0.03728%0.284CS..G310 helixtrans-67.4-16.3-179.6-62.1173.6000113.6C396 L463 N466 I467 I470C396-L399 CarbonylContact O-C 3.6Å; C396-L399 PolarHBondContact O-N 2.85Å; L399-L463 HydrophobicContact CB-CD1 3.37Å; L399-L463 HydrophobicContact CD1-CD1 3.78Å; L399-L463 HydrophobicContact CG-CD1 4.22Å; L399-N466 VanDerWaalsContact O-CB 3.24Å; L399-N466 WeakPolarHBondContact O-CB 3.36Å; L399-N466 PolarHBondContact O-ND2 3.28Å; L399-I467 HydrophobicContact CD1-CD1 4.37Å; L399-I467 HydrophobicContact CD1-CG1 4.29Å; L399-I470 HydrophobicContact CD2-CD1 3.5Å; L399-I470 VanDerWaalsContact CD2-CD1 3.5Å
400L64.4Low59.5Low38 Ų3858.7 Ų58.720%0.19931%0.314CS..G310 helixtrans-89.8-9.6177.6-72.8170.1000113.7C396 V397 P398 N402 T459 N462 L463C396-L400 HydrophobicContact CB-CD1 4.18Å; C396-L400 HydrophobicContact CB-CG 4.2Å; C396-L400 WeakPolarHBondContact O-CG 3.44Å; C396-L400 PolarHBondContact O-N 3.34Å; V397-L400 PolarHBondContact O-N 3Å; P398-L400 PolarHBondContact O-N 3.49Å; L400-N402 PolarHBondContact O-N 2.93Å; L400-T459 WeakPolarHBondContact CD2-O 3.35Å; L400-N462 HydrophobicContact CD2-CB 4.45Å; L400-L463 HydrophobicContact CD2-CB 4.26Å
401S61.7Low57.2Low38 Ų3863.7 Ų63.727%0.26634%0.343SS..  trans-68.5126-178.962.80000111.8P398 S403 Y404P398-S401 PolarHBondContact O-N 3.39Å; P398-S401 PolarHBondContact O-OG 3.11Å; S401-S403 PolarHBondContact O-N 2.86Å; S401-S403 VanDerWaalsContact O-N 3.16Å; S401-S403 PolarHBondContact OG-OG 2.67Å; S401-Y404 VanDerWaalsContact O-CD2 3.23Å; S401-Y404 WeakPolarHBondContact O-CD2 3.41Å; S401-Y404 WeakPolarHBondContact OG-CE2 3.36Å
402N50.7Low54.9Low105 Ų10564 Ų6456%0.56135%0.347SS*.G310 helixtrans-71.2-2.8179.2-79.3-9.8000113.6L400 Y404 I405L400-N402 PolarHBondContact O-N 2.93Å; N402-Y404 PolarHBondContact O-N 3.29Å; N402-Y404 VanDerWaalsContact O-N 3.15Å; N402-I405 PolarHBondContact O-N 3.38Å
403S47.8Very low52.9Low79 Ų7966.8 Ų66.855%0.55236%0.362SS*.G310 helixtrans-58.4-24.2177.538.10000113S401S401-S403 PolarHBondContact O-N 2.86Å; S401-S403 VanDerWaalsContact O-N 3.16Å; S401-S403 PolarHBondContact OG-OG 2.67Å
404Y50.2Low51.1Low37 Ų3769.1 Ų69.115%0.14538%0.384CS..G310 helixtrans-78.8-18.6-178.7-55.7-65.9000115P398 S401 N402 T417 K473P398-Y404 WeakPolarHBondContact O-CE2 3.43Å; S401-Y404 VanDerWaalsContact O-CD2 3.23Å; S401-Y404 WeakPolarHBondContact O-CD2 3.41Å; S401-Y404 WeakPolarHBondContact OG-CE2 3.36Å; N402-Y404 PolarHBondContact O-N 3.29Å; N402-Y404 VanDerWaalsContact O-N 3.15Å; Y404-T417 HydrophobicContact CD1-CG2 3.99Å; Y404-T417 HydrophobicContact CE1-CG2 3.67Å; Y404-K473 PolarHBondContact O-NZ 3.42Å
405I45.9Very low49.4Very low99 Ų9975.1 Ų75.151%0.50841%0.413SS..THydrogen-bonded Turntrans-87-31.3-175.2-59175.7000111.5N402N402-I405 PolarHBondContact O-N 3.38Å
406N40.6Very low47.6Very low147 Ų14780.6 Ų80.679%0.78644%0.439SS*.SBendtrans-104.31.2-167.8-79.9-4000116.4
407S39.3Very low46.2Very low34 Ų3481.8 Ų81.824%0.23845%0.446CS..  trans-91.2105.2171.853.60000111.2
408N42.4Very low44.9Very low144 Ų14488.4 Ų88.477%0.7747%0.472SS*.  trans-835.5168.9-87.1-14.9000112.9H410N408-H410 PolarHBondContact O-N 2.89Å
409D35.6Very low44.2Very low121 Ų12190.5 Ų90.565%0.64748%0.482SS*.  trans-86.1101.3177-79.1-21.4000111L411 G412D409-L411 PolarHBondContact O-N 3.26Å; D409-G412 PolarHBondContact O-N 2.69Å
410H36.8Very low43.4Very low188 Ų18894.4 Ų94.487%0.8750%0.503SS*.THydrogen-bonded Turntrans-61.8-10.4-176.1-72.4-76.5000116N408N408-H410 PolarHBondContact O-N 2.89Å
411L34.5Very low42.7Very low159 Ų15996 Ų9683%0.83251%0.511SS*.THydrogen-bonded Turntrans-106.4-6.7175.6-91.1142.5000113.1D409D409-L411 PolarHBondContact O-N 3.26Å
412G34.5Very low42.3Very low9 Ų998.8 Ų98.89%0.09352%0.523CS..Hα-helixtrans-87.21-172.600000115.2D409 E416D409-G412 PolarHBondContact O-N 2.69Å; G412-E416 WeakPolarHBondContact O-CA 3.39Å; G412-E416 WeakPolarHBondContact O-CB 3.42Å; G412-E416 WeakPolarHBondContact O-CG 3.42Å; G412-E416 PolarHBondContact O-N 3.26Å
413I38.8Very low42.5Very low58 Ų5897 Ų9730%0.29751%0.511SS..Hα-helixtrans-80.9-41.3179.5-70.4179.8000111.4E415 T417 K473I413-E415 VanDerWaalsContact C-N 3.27Å; I413-E415 PolarHBondContact O-N 3.3Å; I413-T417 HydrophobicContact CB-CG2 4.05Å; I413-T417 HydrophobicContact CG1-CG2 4.08Å; I413-T417 HydrophobicContact CG2-CG2 3.56Å; I413-T417 WeakPolarHBondContact CG2-OG1 3.46Å; I413-T417 VanDerWaalsContact O-CA 3.32Å; I413-T417 WeakPolarHBondContact O-CA 3.39Å; I413-T417 WeakPolarHBondContact O-CB 3.45Å; I413-T417 PolarHBondContact O-N 2.86Å; I413-T417 PolarHBondContact O-OG1 3.35Å; I413-K473 HydrophobicContact CD1-CD 3.69Å
414A38.8Very low42.9Very low90 Ų9094 Ų9474%0.74449%0.489SS*.Hα-helixtrans-64.3-33.6174.300000112.5
415E37.5Very low43.4Very low161 Ų16195.1 Ų95.175%0.75250%0.497SS*.Hα-helixtrans-92.7-32.5-178.8-71.1-172.1157.100114.6I413I413-E415 VanDerWaalsContact C-N 3.27Å; I413-E415 PolarHBondContact O-N 3.3Å
416E35.7Very low44.1Very low130 Ų13091.9 Ų91.961%0.60748%0.481SS*.Hα-helixtrans-95.7-31176.4-54.2-177.1136.500113.4G412 K418G412-E416 WeakPolarHBondContact O-CA 3.39Å; G412-E416 WeakPolarHBondContact O-CB 3.42Å; G412-E416 WeakPolarHBondContact O-CG 3.42Å; G412-E416 PolarHBondContact O-N 3.26Å; E416-K418 VanDerWaalsContact C-N 3.3Å
417T42.8Very low45.1Very low29 Ų2985.9 Ų85.918%0.17845%0.447CS..SBendtrans-77.9-17.4175.370.80000113.2Y404 I413 L419Y404-T417 HydrophobicContact CD1-CG2 3.99Å; Y404-T417 HydrophobicContact CE1-CG2 3.67Å; I413-T417 HydrophobicContact CB-CG2 4.05Å; I413-T417 HydrophobicContact CG1-CG2 4.08Å; I413-T417 HydrophobicContact CG2-CG2 3.56Å; I413-T417 WeakPolarHBondContact CG2-OG1 3.46Å; I413-T417 VanDerWaalsContact O-CA 3.32Å; I413-T417 WeakPolarHBondContact O-CA 3.39Å; I413-T417 WeakPolarHBondContact O-CB 3.45Å; I413-T417 PolarHBondContact O-N 2.86Å; I413-T417 PolarHBondContact O-OG1 3.35Å; T417-L419 PolarHBondContact O-N 3.16Å
418K37.7Very low46.4Very low166 Ų16685.1 Ų85.172%0.72244%0.44SS*.  trans31.742.4177.7-93.8-172.8-179.31790112E416 N420E416-K418 VanDerWaalsContact C-N 3.3Å; K418-N420 VanDerWaalsContact C-N 3.26Å; K418-N420 PolarHBondContact O-N 3.1Å
419L46.1Very low47.6Very low61 Ų6180.1 Ų80.132%0.31942%0.416SS..  trans-70.795.6-178-69.8178.1000105.1T417 I421 W427T417-L419 PolarHBondContact O-N 3.16Å; L419-I421 PolarHBondContact O-N 3.14Å; L419-W427 HydrophobicContact CD1-CH2 4.33Å; L419-W427 HydrophobicContact CD1-CZ3 4.2Å; L419-W427 HydrophobicContact CD2-CH2 3.02Å; L419-W427 HydrophobicContact CD2-CZ2 3.67Å; L419-W427 HydrophobicContact CD2-CZ3 3.64Å; L419-W427 HydrophobicContact CG-CH2 4.27Å
420N49.1Very low49.2Very low89 Ų8975 Ų7548%0.47639%0.39SS..  trans-59131.6174.9-165.97.5000105.9K418 D422 E423 L424K418-N420 VanDerWaalsContact C-N 3.26Å; K418-N420 PolarHBondContact O-N 3.1Å; N420-D422 PolarHBondContact O-N 2.96Å; N420-E423 HydrophobicContact CB-CB 4.47Å; N420-E423 HydrophobicContact CB-CG 4.01Å; N420-E423 WeakPolarHBondContact O-CA 3.19Å; N420-E423 WeakPolarHBondContact O-CB 3.34Å; N420-E423 PolarHBondContact O-N 3.19Å; N420-L424 PolarHBondContact O-N 3.36Å
421I49.8Very low50.8Low73 Ų7366.4 Ų66.437%0.37435%0.35SS..Hα-helixtrans-56.6-24.5-179-69.4170.2000110.6L419 L424 K497L419-I421 PolarHBondContact O-N 3.14Å; I421-L424 WeakPolarHBondContact O-CB 3.41Å; I421-L424 PolarHBondContact O-N 3.15Å; I421-K497 HydrophobicContact CG2-CD 3.5Å
422D53Low52.6Low95 Ų9560.4 Ų60.451%0.50832%0.322SS..Hα-helixtrans-71.8-29.7173.4-60.3-32000113.5N420 L424 I425N420-D422 PolarHBondContact O-N 2.96Å; D422-L424 VanDerWaalsContact C-N 3.32Å; D422-L424 PolarHBondContact O-N 3.38Å; D422-I425 PolarHBondContact O-N 3.36Å
423E55.8Low54.6Low67 Ų6760.3 Ų60.331%0.31332%0.319SS..Hα-helixtrans-67.2-33.2173-71.8174.4179.600111.5N420 I425 N426 W427N420-E423 HydrophobicContact CB-CB 4.47Å; N420-E423 HydrophobicContact CB-CG 4.01Å; N420-E423 WeakPolarHBondContact O-CA 3.19Å; N420-E423 WeakPolarHBondContact O-CB 3.34Å; N420-E423 PolarHBondContact O-N 3.19Å; E423-I425 VanDerWaalsContact C-N 3.31Å; E423-I425 PolarHBondContact O-N 3.47Å; E423-N426 PolarHBondContact O-N 2.91Å; E423-W427 PolarHBondContact O-N 2.91Å; E423-W427 PolarHBondContact O-NE1 3.16Å
424L56.2Low56.4Low17 Ų1757.5 Ų57.59%0.08930%0.304CS..Hα-helixtrans-60.5-37.5177.7-68.1172000112.7N420 I421 D422 W427 Q428 F501N420-L424 PolarHBondContact O-N 3.36Å; I421-L424 WeakPolarHBondContact O-CB 3.41Å; I421-L424 PolarHBondContact O-N 3.15Å; D422-L424 VanDerWaalsContact C-N 3.32Å; D422-L424 PolarHBondContact O-N 3.38Å; L424-W427 HydrophobicContact CD2-CE3 3.78Å; L424-W427 HydrophobicContact CD2-CZ3 4.08Å; L424-W427 WeakPolarHBondContact O-CB 3.34Å; L424-W427 PolarHBondContact O-N 3.47Å; L424-Q428 WeakPolarHBondContact O-CG 3.35Å; L424-Q428 PolarHBondContact O-N 3.27Å; L424-F501 HydrophobicContact CD2-CD1 3.97Å; L424-F501 HydrophobicContact CD2-CE1 3.89Å; L424-F501 HydrophobicContact CD2-CE2 4.49Å; L424-F501 HydrophobicContact CD2-CG 4.28Å; L424-F501 HydrophobicContact CD2-CZ 4.19Å
425I59.8Low58Low61 Ų6153.5 Ų53.531%0.31327%0.27SS..Hα-helixtrans-65.9-45177.3-66164.6000110.4D422 E423 W427 Q428 S429 K497D422-I425 PolarHBondContact O-N 3.36Å; E423-I425 VanDerWaalsContact C-N 3.31Å; E423-I425 PolarHBondContact O-N 3.47Å; I425-W427 PolarHBondContact O-N 3.26Å; I425-Q428 WeakPolarHBondContact O-CB 3.23Å; I425-Q428 PolarHBondContact O-N 2.89Å; I425-S429 PolarHBondContact O-N 3.1Å; I425-K497 HydrophobicContact CD1-CD 4.15Å; I425-K497 VanDerWaalsContact CD1-NZ 3.26Å; I425-K497 HydrophobicContact CG1-CD 4.17Å
426N60.7Low59.9Low31 Ų3150.1 Ų50.117%0.16625%0.253CS..Hα-helixtrans-61.6-30176.4-73.1-13.1000111.5E423 S429 C430E423-N426 PolarHBondContact O-N 2.91Å; N426-S429 PolarHBondContact O-OG 2.91Å; N426-C430 PolarHBondContact O-N 3.42Å; N426-C430 PolarHBondContact O-SG 3.26Å
427W62.9Low62.1Low20 Ų2044 Ų448%0.07622%0.224CC..Hα-helixtrans-75.5-37.5176-60.1-6.5000112.8P398 L419 E423 L424 I425 S429 C430 I431 F501P398-W427 HydrophobicContact CB-CH2 4.17Å; P398-W427 HydrophobicContact CB-CZ2 3.52Å; P398-W427 HydrophobicContact CG-CZ2 4.15Å; L419-W427 HydrophobicContact CD1-CH2 4.33Å; L419-W427 HydrophobicContact CD1-CZ3 4.2Å; L419-W427 HydrophobicContact CD2-CH2 3.02Å; L419-W427 HydrophobicContact CD2-CZ2 3.67Å; L419-W427 HydrophobicContact CD2-CZ3 3.64Å; L419-W427 HydrophobicContact CG-CH2 4.27Å; E423-W427 PolarHBondContact O-N 2.91Å; E423-W427 PolarHBondContact O-NE1 3.16Å; L424-W427 HydrophobicContact CD2-CE3 3.78Å; L424-W427 HydrophobicContact CD2-CZ3 4.08Å; L424-W427 WeakPolarHBondContact O-CB 3.34Å; L424-W427 PolarHBondContact O-N 3.47Å; I425-W427 PolarHBondContact O-N 3.26Å; W427-S429 VanDerWaalsContact C-N 3.28Å; W427-S429 PolarHBondContact O-N 2.81Å; W427-C430 PolarHBondContact O-N 3.2Å; W427-I431 WeakPolarHBondContact O-CB 3.32Å; W427-I431 WeakPolarHBondContact O-CD1 3.26Å; W427-I431 VanDerWaalsContact O-CG1 3.22Å; W427-I431 WeakPolarHBondContact O-CG1 3.4Å; W427-I431 PolarHBondContact O-N 3.43Å; W427-F501 HydrophobicContact CB-CD2 4.49Å; W427-F501 HydrophobicContact CB-CE2 3.78Å; W427-F501 HydrophobicContact CE3-CE1 4.44Å; W427-F501 AromaticContact CE3-CE2 3.92Å; W427-F501 HydrophobicContact CE3-CE2 3.92Å; W427-F501 AromaticContact CE3-CZ 3.61Å; W427-F501 HydrophobicContact CE3-CZ 3.61Å; W427-F501 HydrophobicContact CZ3-CZ 4.17Å
428Q66.4Low63.9Low18 Ų1843.1 Ų43.18%0.08422%0.218CC..Hα-helixtrans-56.7-43.6174.9-71.6165.7-5.900111.3L424 I425 I431 S432 K497 Y500 F501L424-Q428 WeakPolarHBondContact O-CG 3.35Å; L424-Q428 PolarHBondContact O-N 3.27Å; I425-Q428 WeakPolarHBondContact O-CB 3.23Å; I425-Q428 PolarHBondContact O-N 2.89Å; Q428-I431 PolarHBondContact O-N 3.41Å; Q428-S432 WeakPolarHBondContact O-CB 3.24Å; Q428-S432 PolarHBondContact O-N 3.05Å; Q428-K497 PolarHBondContact NE2-O 3.21Å; Q428-K497 VanDerWaalsContact NE2-O 3.1Å; Q428-Y500 VanDerWaalsContact CD-CD1 3.44Å; Q428-Y500 HydrophobicContact CG-CD1 4.3Å; Q428-Y500 HydrophobicContact CG-CE1 4.48Å; Q428-F501 HydrophobicContact CG-CB 4.16Å; Q428-F501 HydrophobicContact CG-CD2 3.94Å
429S67.3Low65.6Low39 Ų3939.9 Ų39.927%0.27321%0.206SC..Hα-helixtrans-68.4-40.3178.762.50000112.3I425 N426 W427 S432 L433I425-S429 PolarHBondContact O-N 3.1Å; N426-S429 PolarHBondContact O-OG 2.91Å; W427-S429 VanDerWaalsContact C-N 3.28Å; W427-S429 PolarHBondContact O-N 2.81Å; S429-S432 PolarHBondContact O-N 2.89Å; S429-L433 VanDerWaalsContact O-CB 3.29Å; S429-L433 WeakPolarHBondContact O-CB 2.84Å; S429-L433 PolarHBondContact O-N 2.99Å
430C69.7Low67.1Low15 Ų1540.4 Ų40.410%0.10121%0.209CC..Hα-helixtrans-63.1-42174.5-66.20000112L395 N426 W427 L433 L434L395-C430 HydrophobicContact CD2-CB 4.36Å; N426-C430 PolarHBondContact O-N 3.42Å; N426-C430 PolarHBondContact O-SG 3.26Å; W427-C430 PolarHBondContact O-N 3.2Å; C430-L433 PolarHBondContact O-N 2.73Å; C430-L434 WeakPolarHBondContact O-CB 3.29Å; C430-L434 PolarHBondContact O-N 3.37Å
431I70.4Confident68.6Low7 Ų736.6 Ų36.64%0.03619%0.188CC..Hα-helixtrans-65.6-47.1176.9-70.4164.6000110.7W427 Q428 L433 L434 D435 F501 C504 L505 L508W427-I431 WeakPolarHBondContact O-CB 3.32Å; W427-I431 WeakPolarHBondContact O-CD1 3.26Å; W427-I431 VanDerWaalsContact O-CG1 3.22Å; W427-I431 WeakPolarHBondContact O-CG1 3.4Å; W427-I431 PolarHBondContact O-N 3.43Å; Q428-I431 PolarHBondContact O-N 3.41Å; I431-L433 VanDerWaalsContact C-N 3.32Å; I431-L433 PolarHBondContact O-N 3.22Å; I431-L434 PolarHBondContact O-N 2.64Å; I431-D435 WeakPolarHBondContact O-CB 3.11Å; I431-D435 PolarHBondContact O-N 3.08Å; I431-F501 HydrophobicContact CD1-CD2 4.1Å; I431-F501 HydrophobicContact CD1-CE2 3.51Å; I431-F501 HydrophobicContact CD1-CZ 4.34Å; I431-C504 HydrophobicContact CG2-CB 4.04Å; I431-L505 HydrophobicContact CD1-CD2 3.6Å; I431-L505 HydrophobicContact CD1-CG 4.03Å; I431-L508 HydrophobicContact CB-CD2 4.36Å; I431-L508 HydrophobicContact CG1-CD2 3.94Å; I431-L508 HydrophobicContact CG2-CB 3.79Å; I431-L508 HydrophobicContact CG2-CD2 3.9Å; I431-L508 HydrophobicContact CG2-CG 4.41Å
432S71.6Confident69.8Low33 Ų3336.3 Ų36.323%0.23119%0.19CC..Hα-helixtrans-62.2-40177.8-175.90000111.6Q428 S429 D435 K436Q428-S432 WeakPolarHBondContact O-CB 3.24Å; Q428-S432 PolarHBondContact O-N 3.05Å; S429-S432 PolarHBondContact O-N 2.89Å; S432-D435 PolarHBondContact O-N 3.13Å; S432-K436 WeakPolarHBondContact O-CB 3.21Å; S432-K436 VanDerWaalsContact O-CG 3.27Å; S432-K436 WeakPolarHBondContact O-CG 3.49Å; S432-K436 PolarHBondContact O-N 3.15Å
433L76.1Confident70.6Confident6 Ų637.1 Ų37.13%0.03119%0.191CC..Hα-helixtrans-62.1-47.7174.1175.964.8000111.4V367 I370 L395 S429 C430 I431 D435 K436 I437V367-L433 HydrophobicContact CB-CD1 4.41Å; V367-L433 HydrophobicContact CG1-CD1 3.88Å; V367-L433 HydrophobicContact CG2-CD1 4.4Å; I370-L433 HydrophobicContact CB-CD1 4.37Å; I370-L433 HydrophobicContact CD1-CD1 4.44Å; I370-L433 HydrophobicContact CD1-CD2 3.93Å; I370-L433 HydrophobicContact CG2-CD1 4.14Å; L395-L433 HydrophobicContact CD1-CD2 4.2Å; L395-L433 HydrophobicContact CD2-CD2 3.92Å; S429-L433 VanDerWaalsContact O-CB 3.29Å; S429-L433 WeakPolarHBondContact O-CB 2.84Å; S429-L433 PolarHBondContact O-N 2.99Å; C430-L433 PolarHBondContact O-N 2.73Å; I431-L433 VanDerWaalsContact C-N 3.32Å; I431-L433 PolarHBondContact O-N 3.22Å; L433-D435 VanDerWaalsContact C-N 3.34Å; L433-D435 PolarHBondContact O-N 2.79Å; L433-K436 PolarHBondContact O-N 2.65Å; L433-I437 HydrophobicContact CD1-CD1 4.24Å; L433-I437 HydrophobicContact CD1-CG1 4.48Å; L433-I437 HydrophobicContact CG-CD1 4.05Å; L433-I437 VanDerWaalsContact O-CG1 3.27Å; L433-I437 WeakPolarHBondContact O-CG1 3.39Å; L433-I437 PolarHBondContact O-N 3.33Å
434L78.1Confident71.5Confident0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-62.1-42.2178.8-173.370.6000111.7I392 L395 C430 I431 I437 F438 L508I392-L434 HydrophobicContact CG1-CD1 4.39Å; L395-L434 HydrophobicContact CD1-CD1 4.38Å; C430-L434 WeakPolarHBondContact O-CB 3.29Å; C430-L434 PolarHBondContact O-N 3.37Å; I431-L434 PolarHBondContact O-N 2.64Å; L434-I437 WeakPolarHBondContact O-CB 3.21Å; L434-I437 PolarHBondContact O-N 3.18Å; L434-F438 HydrophobicContact CD1-CE1 4.38Å; L434-F438 HydrophobicContact CD1-CE2 4.18Å; L434-F438 HydrophobicContact CD1-CZ 3.91Å; L434-F438 HydrophobicContact CD2-CE2 3.95Å; L434-F438 HydrophobicContact CD2-CZ 4.27Å; L434-F438 HydrophobicContact CG-CD2 4.24Å; L434-F438 HydrophobicContact CG-CE2 3.69Å; L434-F438 HydrophobicContact CG-CZ 3.95Å; L434-F438 WeakPolarHBondContact O-CG 3.49Å; L434-F438 PolarHBondContact O-N 3.31Å; L434-L508 HydrophobicContact CD2-CD1 3.59Å; L434-L508 HydrophobicContact CD2-CD2 4.13Å; L434-L508 HydrophobicContact CG-CD1 4.2Å
435D71.6Confident72.7Confident5 Ų541.8 Ų41.83%0.02721%0.214CC..Hα-helixtrans-68-40.5177-169.574.7000112I431 S432 L433 I437 F438 Q439 R507 S511I431-D435 WeakPolarHBondContact O-CB 3.11Å; I431-D435 PolarHBondContact O-N 3.08Å; S432-D435 PolarHBondContact O-N 3.13Å; L433-D435 VanDerWaalsContact C-N 3.34Å; L433-D435 PolarHBondContact O-N 2.79Å; D435-I437 VanDerWaalsContact C-N 3.27Å; D435-I437 PolarHBondContact O-N 3.19Å; D435-F438 PolarHBondContact O-N 3.28Å; D435-F438 VanDerWaalsContact O-N 3.15Å; D435-Q439 WeakPolarHBondContact O-CG 3.36Å; D435-Q439 PolarHBondContact O-N 2.82Å; D435-Q439 PolarHBondContact OD2-NE2 3.23Å; D435-R507 IonicContact OD1-NE 2.7Å; D435-R507 IonicContact OD2-CZ 3.48Å; D435-R507 IonicContact OD2-NE 3.13Å; D435-R507 PolarHBondContact OD2-NE 2.88Å; D435-R507 IonicContact OD2-NH2 3.06Å; D435-R507 PolarHBondContact OD2-NH2 3.21Å; D435-S511 PolarHBondContact OD1-OG 3.21Å
436K77.3Confident73.6Confident91 Ų9139.3 Ų39.340%0.39620%0.201SC..Hα-helixtrans-58.5-38.9170.9-78.5177.2-176.4-1800112.1S432 L433 Q439 N440S432-K436 WeakPolarHBondContact O-CB 3.21Å; S432-K436 VanDerWaalsContact O-CG 3.27Å; S432-K436 WeakPolarHBondContact O-CG 3.49Å; S432-K436 PolarHBondContact O-N 3.15Å; L433-K436 PolarHBondContact O-N 2.65Å; K436-Q439 PolarHBondContact O-N 2.91Å; K436-N440 PolarHBondContact O-N 3.38Å; K436-N440 PolarHBondContact O-ND2 3.12Å
437I82.7Confident74.2Confident0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-62.5-49.7174.2-70.8163.5000109.8I370 F374 F388 L433 L434 D435 Q439 N440 I441I370-I437 HydrophobicContact CG2-CD1 3.86Å; I370-I437 HydrophobicContact CG2-CG1 4.42Å; F374-I437 HydrophobicContact CB-CG2 3.96Å; F374-I437 HydrophobicContact CD1-CG2 3.43Å; F374-I437 VanDerWaalsContact CD1-CG2 3.43Å; F374-I437 HydrophobicContact CD2-CD1 3.87Å; F374-I437 HydrophobicContact CD2-CG1 3.94Å; F374-I437 HydrophobicContact CD2-CG2 4.04Å; F374-I437 HydrophobicContact CE1-CG2 3.91Å; F374-I437 HydrophobicContact CE2-CD1 3.82Å; F374-I437 HydrophobicContact CE2-CG1 4.4Å; F374-I437 HydrophobicContact CE2-CG2 4.47Å; F374-I437 HydrophobicContact CG-CB 4.47Å; F374-I437 HydrophobicContact CG-CD1 4.46Å; F374-I437 HydrophobicContact CG-CG1 4.19Å; F374-I437 HydrophobicContact CG-CG2 3.52Å; F374-I437 HydrophobicContact CZ-CD1 4.36Å; F374-I437 HydrophobicContact CZ-CG2 4.42Å; F388-I437 HydrophobicContact CE1-CG2 3.91Å; F388-I437 HydrophobicContact CZ-CG2 4.16Å; L433-I437 HydrophobicContact CD1-CD1 4.24Å; L433-I437 HydrophobicContact CD1-CG1 4.48Å; L433-I437 HydrophobicContact CG-CD1 4.05Å; L433-I437 VanDerWaalsContact O-CG1 3.27Å; L433-I437 WeakPolarHBondContact O-CG1 3.39Å; L433-I437 PolarHBondContact O-N 3.33Å; L434-I437 WeakPolarHBondContact O-CB 3.21Å; L434-I437 PolarHBondContact O-N 3.18Å; D435-I437 VanDerWaalsContact C-N 3.27Å; D435-I437 PolarHBondContact O-N 3.19Å; I437-Q439 VanDerWaalsContact C-N 3.29Å; I437-Q439 PolarHBondContact O-N 3.29Å; I437-N440 PolarHBondContact O-N 3.35Å; I437-I441 HydrophobicContact CG2-CD1 3.79Å; I437-I441 WeakPolarHBondContact O-CD1 3.4Å; I437-I441 WeakPolarHBondContact O-CG1 3.48Å
438F80.6Confident75.1Confident12 Ų1242.1 Ų42.15%0.05322%0.217CC..Hα-helixtrans-62.5-32.8179.3-68.2-31.2000113.7F388 L434 D435 L446 L460 L508 L512 I515F388-F438 HydrophobicContact CE1-CD1 4.23Å; F388-F438 AromaticContact CE1-CE1 3.71Å; F388-F438 HydrophobicContact CE1-CE1 3.71Å; F388-F438 HydrophobicContact CZ-CD1 4.25Å; F388-F438 HydrophobicContact CZ-CE1 4.03Å; L434-F438 HydrophobicContact CD1-CE1 4.38Å; L434-F438 HydrophobicContact CD1-CE2 4.18Å; L434-F438 HydrophobicContact CD1-CZ 3.91Å; L434-F438 HydrophobicContact CD2-CE2 3.95Å; L434-F438 HydrophobicContact CD2-CZ 4.27Å; L434-F438 HydrophobicContact CG-CD2 4.24Å; L434-F438 HydrophobicContact CG-CE2 3.69Å; L434-F438 HydrophobicContact CG-CZ 3.95Å; L434-F438 WeakPolarHBondContact O-CG 3.49Å; L434-F438 PolarHBondContact O-N 3.31Å; D435-F438 PolarHBondContact O-N 3.28Å; D435-F438 VanDerWaalsContact O-N 3.15Å; F438-L446 HydrophobicContact CB-CD2 4.48Å; F438-L446 HydrophobicContact CD1-CD1 3.7Å; F438-L446 HydrophobicContact CD1-CD2 4.04Å; F438-L446 HydrophobicContact CE1-CD1 3.99Å; F438-L446 HydrophobicContact CG-CD2 4.49Å; F438-L460 HydrophobicContact CZ-CD2 4.44Å; F438-L508 HydrophobicContact CD2-CD1 4.34Å; F438-L508 HydrophobicContact CE2-CD1 3.98Å; F438-L512 HydrophobicContact CE2-CD2 4.14Å; F438-L512 HydrophobicContact CZ-CD2 4.4Å; F438-I515 HydrophobicContact CD1-CD1 4.49Å; F438-I515 HydrophobicContact CD2-CD1 4.44Å; F438-I515 HydrophobicContact CE1-CD1 4.48Å; F438-I515 HydrophobicContact CE2-CD1 4.42Å; F438-I515 HydrophobicContact CG-CD1 4.47Å; F438-I515 HydrophobicContact CZ-CD1 4.45Å
439Q72.3Confident75.7Confident98 Ų9841.3 Ų41.346%0.45821%0.213SC..Hα-helixtrans-74.7-28.7178.3-73.6-171.6-18.800114.3D435 K436 I437 I441D435-Q439 WeakPolarHBondContact O-CG 3.36Å; D435-Q439 PolarHBondContact O-N 2.82Å; D435-Q439 PolarHBondContact OD2-NE2 3.23Å; K436-Q439 PolarHBondContact O-N 2.91Å; I437-Q439 VanDerWaalsContact C-N 3.29Å; I437-Q439 PolarHBondContact O-N 3.29Å; Q439-I441 VanDerWaalsContact C-N 3.3Å
440N78.4Confident76Confident72 Ų7239.5 Ų39.539%0.38520%0.2SC..Hα-helixtrans-85.6-4.1-178.9-75.6-55.4000113.6T371 K436 I437T371-N440 HydrophobicContact CG2-CB 4.27Å; T371-N440 WeakPolarHBondContact CG2-ND2 3.06Å; K436-N440 PolarHBondContact O-N 3.38Å; K436-N440 PolarHBondContact O-ND2 3.12Å; I437-N440 PolarHBondContact O-N 3.35Å
441I79.2Confident76.1Confident8 Ų842.8 Ų42.84%0.04121%0.214CC..SBendtrans-108.6136178.1-57162.9000108.1F374 L384 F388 I437 Q439 N445 L446F374-I441 HydrophobicContact CB-CD1 4.25Å; F374-I441 HydrophobicContact CD1-CD1 4.02Å; L384-I441 HydrophobicContact CD1-CD1 4.08Å; L384-I441 HydrophobicContact CD2-CD1 4.41Å; L384-I441 HydrophobicContact CD2-CG2 4.02Å; F388-I441 HydrophobicContact CE2-CD1 4.2Å; F388-I441 HydrophobicContact CZ-CD1 3.65Å; I437-I441 HydrophobicContact CG2-CD1 3.79Å; I437-I441 WeakPolarHBondContact O-CD1 3.4Å; I437-I441 WeakPolarHBondContact O-CG1 3.48Å; Q439-I441 VanDerWaalsContact C-N 3.3Å; I441-N445 HydrophobicContact CG2-CB 4.09Å; I441-L446 HydrophobicContact CD1-CD1 4.3Å; I441-L446 HydrophobicContact CG2-CB 3.87Å
442T76Confident76.3Confident68 Ų6849 Ų4942%0.41724%0.238SC..  trans-62.1145.6174.361.10000110.6E444 N445 L446T442-E444 PolarHBondContact O-N 3.3Å; T442-E444 VanDerWaalsContact O-N 3.17Å; T442-N445 PolarHBondContact O-N 3.37Å; T442-N445 VanDerWaalsContact OG1-CB 3.31Å; T442-N445 WeakPolarHBondContact OG1-CB 3.44Å; T442-N445 PolarHBondContact OG1-N 2.84Å; T442-N445 PolarHBondContact OG1-ND2 3.48Å; T442-L446 WeakPolarHBondContact O-CB 2.94Å; T442-L446 PolarHBondContact O-N 3.32Å
443E69.3Low76.3Confident111 Ų11149.1 Ų49.152%0.51924%0.236SC..Hα-helixtrans-56.6-36.6-178-67.8-175.7-15900112.4M447 K514E443-M447 WeakPolarHBondContact O-CB 3.39Å; E443-M447 WeakPolarHBondContact O-CG 3.34Å; E443-M447 PolarHBondContact O-N 3.18Å; E443-K514 VanDerWaalsContact CD-NZ 3.29Å; E443-K514 WeakPolarHBondContact OE1-CE 3.48Å; E443-K514 IonicContact OE1-NZ 3.01Å; E443-K514 PolarHBondContact OE1-NZ 3.45Å; E443-K514 WeakPolarHBondContact OE2-CE 3.32Å; E443-K514 IonicContact OE2-NZ 3.45Å
444E74.7Confident76.1Confident140 Ų14056.3 Ų56.365%0.65427%0.27SS*.Hα-helixtrans-64.8-51.4177.7-174.2178.8178.400112.3T442 L446 M447 N448T442-E444 PolarHBondContact O-N 3.3Å; T442-E444 VanDerWaalsContact O-N 3.17Å; E444-L446 VanDerWaalsContact C-N 3.32Å; E444-L446 PolarHBondContact O-N 2.95Å; E444-M447 PolarHBondContact O-N 2.92Å; E444-N448 VanDerWaalsContact O-CG 3.26Å; E444-N448 PolarHBondContact O-N 2.96Å; E444-N448 PolarHBondContact O-ND2 3.41Å
445N80.8Confident75.9Confident42 Ų4264 Ų6423%0.22530%0.303CS..Hα-helixtrans-67-36.2-179.2-68.8-21000111.6Q378 I441 T442 N448 A449Q378-N445 VanDerWaalsContact O-CG 3.29Å; Q378-N445 PolarHBondContact O-ND2 3.26Å; I441-N445 HydrophobicContact CG2-CB 4.09Å; T442-N445 PolarHBondContact O-N 3.37Å; T442-N445 VanDerWaalsContact OG1-CB 3.31Å; T442-N445 WeakPolarHBondContact OG1-CB 3.44Å; T442-N445 PolarHBondContact OG1-N 2.84Å; T442-N445 PolarHBondContact OG1-ND2 3.48Å; N445-N448 PolarHBondContact O-N 3.46Å; N445-A449 WeakPolarHBondContact O-CB 3.46Å; N445-A449 PolarHBondContact O-N 3.18Å
446L78.8Confident76Confident10 Ų1063.7 Ų63.75%0.05230%0.302CS..Hα-helixtrans-60.4-47.3174.4-176.763.2000111F388 F438 I441 T442 E444 L450 I515F388-L446 HydrophobicContact CE2-CD1 3.72Å; F388-L446 HydrophobicContact CZ-CD1 3.47Å; F388-L446 VanDerWaalsContact CZ-CD1 3.47Å; F438-L446 HydrophobicContact CB-CD2 4.48Å; F438-L446 HydrophobicContact CD1-CD1 3.7Å; F438-L446 HydrophobicContact CD1-CD2 4.04Å; F438-L446 HydrophobicContact CE1-CD1 3.99Å; F438-L446 HydrophobicContact CG-CD2 4.49Å; I441-L446 HydrophobicContact CD1-CD1 4.3Å; I441-L446 HydrophobicContact CG2-CB 3.87Å; T442-L446 WeakPolarHBondContact O-CB 2.94Å; T442-L446 PolarHBondContact O-N 3.32Å; E444-L446 VanDerWaalsContact C-N 3.32Å; E444-L446 PolarHBondContact O-N 2.95Å; L446-L450 HydrophobicContact CD1-CD1 3.91Å; L446-L450 HydrophobicContact CD1-CG 4.28Å; L446-L450 HydrophobicContact CG-CD1 3.99Å; L446-L450 WeakPolarHBondContact O-CB 3.45Å; L446-L450 WeakPolarHBondContact O-CG 3.48Å; L446-L450 PolarHBondContact O-N 2.85Å; L446-I515 HydrophobicContact CD2-CD1 3.64Å; L446-I515 HydrophobicContact CD2-CG1 4Å; L446-I515 HydrophobicContact CG-CD1 4.48Å
447M75.1Confident75.8Confident29 Ų2959.7 Ų59.714%0.14329%0.285CS..Hα-helixtrans-63.1-48176.6-70.7-64.5-71.900111.2E443 E444 A449 L450 H451 I515 K518E443-M447 WeakPolarHBondContact O-CB 3.39Å; E443-M447 WeakPolarHBondContact O-CG 3.34Å; E443-M447 PolarHBondContact O-N 3.18Å; E444-M447 PolarHBondContact O-N 2.92Å; M447-A449 VanDerWaalsContact C-N 3.33Å; M447-A449 PolarHBondContact O-N 3.23Å; M447-L450 PolarHBondContact O-N 3.16Å; M447-H451 WeakPolarHBondContact CE-NE2 3.15Å; M447-H451 VanDerWaalsContact O-CB 3.32Å; M447-H451 WeakPolarHBondContact O-CB 3.32Å; M447-H451 PolarHBondContact O-CD2 2.81Å; M447-H451 PolarHBondContact O-N 2.95Å; M447-I515 HydrophobicContact SD-CG2 3.96Å; M447-K518 HydrophobicContact CE-CB 3.92Å; M447-K518 HydrophobicContact CE-CD 4.18Å
448N79.9Confident75.3Confident81 Ų8161.2 Ų61.243%0.43330%0.3SS..Hα-helixtrans-58.2-42.6-179.6-71.3-19.8000112.5A381 E444 N445 Y452A381-N448 HydrophobicContact CB-CB 4.44Å; E444-N448 VanDerWaalsContact O-CG 3.26Å; E444-N448 PolarHBondContact O-N 2.96Å; E444-N448 PolarHBondContact O-ND2 3.41Å; N445-N448 PolarHBondContact O-N 3.46Å; N448-Y452 PolarHBondContact O-N 3.25Å
449A79.3Confident75.1Confident0 Ų062.4 Ų62.40%031%0.309CS..Hα-helixtrans-71.1-41.7178.700000113.3L384 S385 F388 N445 M447 H451 Y452L384-A449 HydrophobicContact CB-CB 3.7Å; L384-A449 HydrophobicContact CD2-CB 3.54Å; L384-A449 HydrophobicContact CG-CB 3.66Å; S385-A449 WeakPolarHBondContact CB-O 3.35Å; S385-A449 PolarHBondContact OG-O 3.06Å; F388-A449 HydrophobicContact CD2-CB 4.47Å; N445-A449 WeakPolarHBondContact O-CB 3.46Å; N445-A449 PolarHBondContact O-N 3.18Å; M447-A449 VanDerWaalsContact C-N 3.33Å; M447-A449 PolarHBondContact O-N 3.23Å; A449-H451 VanDerWaalsContact C-N 3.27Å; A449-H451 PolarHBondContact O-N 2.77Å; A449-Y452 VanDerWaalsContact O-CB 3.31Å; A449-Y452 WeakPolarHBondContact O-CB 3.42Å; A449-Y452 PolarHBondContact O-N 2.96Å
450L74.4Confident75.3Confident1 Ų157.8 Ų57.81%0.00529%0.287CS..Hα-helixtrans-70.4-25.4178.5-67.4177.9000112.7F388 I392 L446 M447 T456 L460 I515F388-L450 HydrophobicContact CB-CD2 4.34Å; F388-L450 HydrophobicContact CD2-CD2 3.8Å; F388-L450 HydrophobicContact CD2-CG 4.49Å; F388-L450 HydrophobicContact CE2-CD2 4.19Å; F388-L450 HydrophobicContact CG-CD2 3.99Å; I392-L450 HydrophobicContact CD1-CD2 4.36Å; L446-L450 HydrophobicContact CD1-CD1 3.91Å; L446-L450 HydrophobicContact CD1-CG 4.28Å; L446-L450 HydrophobicContact CG-CD1 3.99Å; L446-L450 WeakPolarHBondContact O-CB 3.45Å; L446-L450 WeakPolarHBondContact O-CG 3.48Å; L446-L450 PolarHBondContact O-N 2.85Å; M447-L450 PolarHBondContact O-N 3.16Å; L450-T456 HydrophobicContact CD2-CG2 3.89Å; L450-L460 HydrophobicContact CD1-CD1 3.64Å; L450-L460 HydrophobicContact CD2-CD1 3.53Å; L450-L460 HydrophobicContact CG-CD1 4.11Å; L450-I515 HydrophobicContact CD1-CG2 3.6Å
451H71.1Confident75Confident85 Ų8556.3 Ų56.339%0.39428%0.279SS..Hα-helixtrans-82.5-11.6173.5-75.6-57000114.1M447 A449M447-H451 WeakPolarHBondContact CE-NE2 3.15Å; M447-H451 VanDerWaalsContact O-CB 3.32Å; M447-H451 WeakPolarHBondContact O-CB 3.32Å; M447-H451 PolarHBondContact O-CD2 2.81Å; M447-H451 PolarHBondContact O-N 2.95Å; A449-H451 VanDerWaalsContact C-N 3.27Å; A449-H451 PolarHBondContact O-N 2.77Å
452Y74.2Confident74.8Confident136 Ų13660 Ų6053%0.53330%0.299SS..Hα-helixtrans-69-34-179.1-160.7-81.5000112.8L382 N448 A449L382-Y452 HydrophobicContact CB-CE1 4.37Å; L382-Y452 HydrophobicContact CB-CE2 4.33Å; L382-Y452 HydrophobicContact CD1-CD1 4.05Å; L382-Y452 HydrophobicContact CD1-CE1 3.34Å; L382-Y452 HydrophobicContact CG-CE1 4.41Å; N448-Y452 PolarHBondContact O-N 3.25Å; A449-Y452 VanDerWaalsContact O-CB 3.31Å; A449-Y452 WeakPolarHBondContact O-CB 3.42Å; A449-Y452 PolarHBondContact O-N 2.96Å
453D72.1Confident74.9Confident36 Ų3656.8 Ų56.819%0.19328%0.279CS..  trans-126.8116.2176.1-174.3-0.6000111N389 K455 T456 L457N389-D453 PolarHBondContact ND2-OD2 3.25Å; D453-K455 PolarHBondContact O-N 3.15Å; D453-K455 VanDerWaalsContact O-N 3.09Å; D453-K455 WeakPolarHBondContact OD1-CB 3.35Å; D453-K455 PolarHBondContact OD1-N 2.84Å; D453-T456 PolarHBondContact O-N 2.97Å; D453-T456 VanDerWaalsContact O-N 3.13Å; D453-T456 PolarHBondContact O-OG1 3.04Å; D453-L457 PolarHBondContact O-N 2.78Å
454E72Confident75.1Confident158 Ų15853.1 Ų53.174%0.73826%0.261SS*.Hα-helixtrans-57.8-25.9179.2-68.1-166.414600112.9L457 G458E454-L457 PolarHBondContact O-N 2.62Å; E454-G458 PolarHBondContact O-N 3.48Å
455K74.1Confident75.1Confident160 Ų16051.2 Ų51.270%0.69625%0.254SS*.Hα-helixtrans-65.4-42.5177.8-67.8178.2-178.6173.40112.1D453 L457 G458 T459D453-K455 PolarHBondContact O-N 3.15Å; D453-K455 VanDerWaalsContact O-N 3.09Å; D453-K455 WeakPolarHBondContact OD1-CB 3.35Å; D453-K455 PolarHBondContact OD1-N 2.84Å; K455-L457 VanDerWaalsContact C-N 3.35Å; K455-G458 PolarHBondContact O-N 3.44Å; K455-T459 PolarHBondContact O-N 3.46Å; K455-T459 PolarHBondContact O-OG1 3.29Å
456T73.5Confident74.7Confident0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-65-41.3178.9-32.40000111F388 N389 I392 L450 D453 G458 T459 L460F388-T456 HydrophobicContact CB-CG2 3.94Å; N389-T456 PolarHBondContact OD1-OG1 3.31Å; I392-T456 HydrophobicContact CD1-CG2 3.72Å; L450-T456 HydrophobicContact CD2-CG2 3.89Å; D453-T456 PolarHBondContact O-N 2.97Å; D453-T456 VanDerWaalsContact O-N 3.13Å; D453-T456 PolarHBondContact O-OG1 3.04Å; T456-G458 VanDerWaalsContact C-N 3.32Å; T456-G458 PolarHBondContact O-N 3.45Å; T456-T459 WeakPolarHBondContact CA-OG1 3.41Å; T456-T459 PolarHBondContact O-N 2.84Å; T456-T459 PolarHBondContact O-OG1 3.2Å; T456-L460 WeakPolarHBondContact O-CG 3.39Å; T456-L460 PolarHBondContact O-N 3.4Å
457L73.1Confident74.4Confident7 Ų748.9 Ų48.94%0.03724%0.241CC..Hα-helixtrans-68-35.2177.1-171.759.7000111.8D453 E454 K455 N461 K519D453-L457 PolarHBondContact O-N 2.78Å; E454-L457 PolarHBondContact O-N 2.62Å; K455-L457 VanDerWaalsContact C-N 3.35Å; L457-N461 PolarHBondContact O-N 3.31Å; L457-N461 PolarHBondContact O-ND2 3.37Å; L457-K519 HydrophobicContact CD2-CD 3.77Å; L457-K519 VanDerWaalsContact CD2-CE 3.47Å
458G73Confident74.2Confident32 Ų3249.7 Ų49.733%0.3324%0.243SC..Hα-helixtrans-62.6-45172.300000112.8E454 K455 T456 N461 N462E454-G458 PolarHBondContact O-N 3.48Å; K455-G458 PolarHBondContact O-N 3.44Å; T456-G458 VanDerWaalsContact C-N 3.32Å; T456-G458 PolarHBondContact O-N 3.45Å; G458-N461 PolarHBondContact O-N 3.37Å; G458-N462 PolarHBondContact O-N 3.17Å; G458-N462 VanDerWaalsContact O-N 3.11Å
459T75.2Confident73.7Confident37 Ų3747.7 Ų47.723%0.22724%0.236CC..Hα-helixtrans-65.8-39.1177.252.30000112.2L400 K455 T456 N462 L463L400-T459 WeakPolarHBondContact CD2-O 3.35Å; K455-T459 PolarHBondContact O-N 3.46Å; K455-T459 PolarHBondContact O-OG1 3.29Å; T456-T459 WeakPolarHBondContact CA-OG1 3.41Å; T456-T459 PolarHBondContact O-N 2.84Å; T456-T459 PolarHBondContact O-OG1 3.2Å; T459-N462 PolarHBondContact O-N 2.7Å; T459-L463 WeakPolarHBondContact O-CB 3.43Å; T459-L463 PolarHBondContact O-N 2.81Å
460L76.6Confident73.2Confident0 Ų048.9 Ų48.90%024%0.242CC..Hα-helixtrans-65.6-38175.7-74175000113.3I392 F438 L450 T456 L463 K464 L512I392-L460 HydrophobicContact CD1-CD1 4.24Å; I392-L460 HydrophobicContact CD1-CD2 3.87Å; I392-L460 HydrophobicContact CD1-CG 4.09Å; I392-L460 HydrophobicContact CG2-CD2 4.23Å; F438-L460 HydrophobicContact CZ-CD2 4.44Å; L450-L460 HydrophobicContact CD1-CD1 3.64Å; L450-L460 HydrophobicContact CD2-CD1 3.53Å; L450-L460 HydrophobicContact CG-CD1 4.11Å; T456-L460 WeakPolarHBondContact O-CG 3.39Å; T456-L460 PolarHBondContact O-N 3.4Å; L460-L463 HydrophobicContact CD2-CD2 4.29Å; L460-L463 WeakPolarHBondContact O-CB 3.32Å; L460-L463 PolarHBondContact O-N 3.3Å; L460-K464 PolarHBondContact O-N 2.75Å; L460-L512 HydrophobicContact CD2-CD2 3.65Å
461N73.7Confident72.9Confident41 Ų4149 Ų4922%0.21924%0.242CC..Hα-helixtrans-65.9-41.1174.6-85.2-44.7000112L457 G458 L463 K464 M465 T516L457-N461 PolarHBondContact O-N 3.31Å; L457-N461 PolarHBondContact O-ND2 3.37Å; G458-N461 PolarHBondContact O-N 3.37Å; N461-L463 VanDerWaalsContact C-N 3.34Å; N461-K464 PolarHBondContact O-N 3.19Å; N461-K464 PolarHBondContact OD1-NZ 3.17Å; N461-M465 WeakPolarHBondContact O-CG 3.49Å; N461-M465 PolarHBondContact O-N 3.34Å; N461-M465 VanDerWaalsContact O-N 3.15Å; N461-T516 WeakPolarHBondContact OD1-CB 3.4Å; N461-T516 VanDerWaalsContact OD1-CG2 3.28Å; N461-T516 WeakPolarHBondContact OD1-CG2 3.35Å
462N75Confident72.7Confident86 Ų8647.2 Ų47.246%0.4624%0.236SC..Hα-helixtrans-62.6-42.7173.6-69.8-12.5000111.3L400 G458 T459 K464 M465 N466L400-N462 HydrophobicContact CD2-CB 4.45Å; G458-N462 PolarHBondContact O-N 3.17Å; G458-N462 VanDerWaalsContact O-N 3.11Å; T459-N462 PolarHBondContact O-N 2.7Å; N462-K464 PolarHBondContact O-N 2.92Å; N462-M465 PolarHBondContact O-N 3.03Å; N462-N466 PolarHBondContact O-N 3.08Å
463L77Confident72.2Confident0 Ų043.9 Ų43.90%022%0.224CC..Hα-helixtrans-58.8-46.7175.9-178.364.5000111.9C396 L399 L400 T459 L460 N461 M465 N466 I467 L512C396-L463 HydrophobicContact CB-CD1 3.93Å; C396-L463 HydrophobicContact CB-CD2 4.28Å; L399-L463 HydrophobicContact CB-CD1 3.37Å; L399-L463 HydrophobicContact CD1-CD1 3.78Å; L399-L463 HydrophobicContact CG-CD1 4.22Å; L400-L463 HydrophobicContact CD2-CB 4.26Å; T459-L463 WeakPolarHBondContact O-CB 3.43Å; T459-L463 PolarHBondContact O-N 2.81Å; L460-L463 HydrophobicContact CD2-CD2 4.29Å; L460-L463 WeakPolarHBondContact O-CB 3.32Å; L460-L463 PolarHBondContact O-N 3.3Å; N461-L463 VanDerWaalsContact C-N 3.34Å; L463-M465 VanDerWaalsContact C-N 3.33Å; L463-M465 PolarHBondContact O-N 3.31Å; L463-N466 PolarHBondContact O-N 2.94Å; L463-I467 HydrophobicContact CD1-CD1 3.85Å; L463-I467 HydrophobicContact CD1-CG1 4.16Å; L463-I467 HydrophobicContact CD2-CD1 4.37Å; L463-I467 HydrophobicContact CG-CD1 3.72Å; L463-I467 HydrophobicContact CG-CG1 4.39Å; L463-I467 WeakPolarHBondContact O-CB 3.13Å; L463-I467 VanDerWaalsContact O-CG1 3.31Å; L463-I467 WeakPolarHBondContact O-CG1 3.4Å; L463-I467 PolarHBondContact O-N 3.49Å; L463-L512 HydrophobicContact CD2-CD1 3.83Å; L463-L512 HydrophobicContact CD2-CD2 4.37Å; L463-L512 HydrophobicContact CG-CD1 3.95Å
464K74.5Confident71.9Confident35 Ų3543.6 Ų43.615%0.15222%0.222CC..Hα-helixtrans-54.9-47.9175.5175.4-176.963.6-176.70111.7L460 N461 N462 Y468 F509 V513 T516L460-K464 PolarHBondContact O-N 2.75Å; N461-K464 PolarHBondContact O-N 3.19Å; N461-K464 PolarHBondContact OD1-NZ 3.17Å; N462-K464 PolarHBondContact O-N 2.92Å; K464-Y468 PolarHBondContact O-N 3Å; K464-F509 HydrophobicContact CG-CD2 4.47Å; K464-F509 HydrophobicContact CG-CE2 3.92Å; K464-V513 HydrophobicContact CD-CG2 4.11Å; K464-V513 HydrophobicContact CG-CG2 4.32Å; K464-T516 VanDerWaalsContact CD-OG1 3.25Å; K464-T516 WeakPolarHBondContact CD-OG1 3.41Å; K464-T516 PolarHBondContact NZ-OG1 3.46Å
465M74.6Confident71.5Confident99 Ų9937.3 Ų37.349%0.48819%0.193SC..Hα-helixtrans-65.5-41.2-179-66.5-57.3-68.400112N461 N462 L463 Y468 S469N461-M465 WeakPolarHBondContact O-CG 3.49Å; N461-M465 PolarHBondContact O-N 3.34Å; N461-M465 VanDerWaalsContact O-N 3.15Å; N462-M465 PolarHBondContact O-N 3.03Å; L463-M465 VanDerWaalsContact C-N 3.33Å; L463-M465 PolarHBondContact O-N 3.31Å; M465-Y468 PolarHBondContact O-N 3.15Å; M465-S469 PolarHBondContact O-N 3.39Å; M465-S469 VanDerWaalsContact O-N 3.14Å
466N71.7Confident70.6Confident4 Ų436.3 Ų36.32%0.02119%0.191CC..Hα-helixtrans-67.6-44.3178.1-70.8-12.9000111.9L399 N462 L463 Y468 S469 I470L399-N466 VanDerWaalsContact O-CB 3.24Å; L399-N466 WeakPolarHBondContact O-CB 3.36Å; L399-N466 PolarHBondContact O-ND2 3.28Å; N462-N466 PolarHBondContact O-N 3.08Å; L463-N466 PolarHBondContact O-N 2.94Å; N466-Y468 VanDerWaalsContact C-N 3.33Å; N466-Y468 PolarHBondContact O-N 2.91Å; N466-S469 PolarHBondContact O-N 3.21Å; N466-I470 VanDerWaalsContact O-CG1 3.28Å; N466-I470 WeakPolarHBondContact O-CG1 3.29Å; N466-I470 PolarHBondContact O-N 3.21Å
467I73.5Confident69.5Low0 Ų039.7 Ų39.70%021%0.213CC..Hα-helixtrans-60.4-43.9176.6-71.2170.4000110.9L399 L463 S469 I470 I471 L505 L508 F509 L512L399-I467 HydrophobicContact CD1-CD1 4.37Å; L399-I467 HydrophobicContact CD1-CG1 4.29Å; L463-I467 HydrophobicContact CD1-CD1 3.85Å; L463-I467 HydrophobicContact CD1-CG1 4.16Å; L463-I467 HydrophobicContact CD2-CD1 4.37Å; L463-I467 HydrophobicContact CG-CD1 3.72Å; L463-I467 HydrophobicContact CG-CG1 4.39Å; L463-I467 WeakPolarHBondContact O-CB 3.13Å; L463-I467 VanDerWaalsContact O-CG1 3.31Å; L463-I467 WeakPolarHBondContact O-CG1 3.4Å; L463-I467 PolarHBondContact O-N 3.49Å; I467-S469 VanDerWaalsContact C-N 3.33Å; I467-S469 PolarHBondContact O-N 3.17Å; I467-I470 PolarHBondContact O-N 3.43Å; I467-I470 VanDerWaalsContact O-N 3.13Å; I467-I471 HydrophobicContact CG2-CD1 3.69Å; I467-I471 HydrophobicContact CG2-CG1 4.18Å; I467-I471 WeakPolarHBondContact O-CG1 3.23Å; I467-I471 PolarHBondContact O-N 3.32Å; I467-L505 HydrophobicContact CG1-CD2 4.22Å; I467-L505 HydrophobicContact CG2-CD2 4.1Å; I467-L508 HydrophobicContact CD1-CD2 3.72Å; I467-L508 HydrophobicContact CD1-CG 4.11Å; I467-F509 HydrophobicContact CB-CD2 4.32Å; I467-F509 HydrophobicContact CG2-CB 3.72Å; I467-F509 HydrophobicContact CG2-CD2 3.82Å; I467-F509 HydrophobicContact CG2-CG 4.1Å; I467-L512 HydrophobicContact CD1-CD1 3.56Å
468Y71Confident68.5Low45 Ų4539.9 Ų39.918%0.17622%0.215CC..Hα-helixtrans-58.5-45.6176.4177.6-118.7000112.1K464 M465 N466 I470 I471 N472 F509 S542 Y543K464-Y468 PolarHBondContact O-N 3Å; M465-Y468 PolarHBondContact O-N 3.15Å; N466-Y468 VanDerWaalsContact C-N 3.33Å; N466-Y468 PolarHBondContact O-N 2.91Å; Y468-I470 VanDerWaalsContact C-N 3.28Å; Y468-I470 PolarHBondContact O-N 3.41Å; Y468-I471 PolarHBondContact O-N 3.41Å; Y468-N472 VanDerWaalsContact CE2-ND2 3.27Å; Y468-N472 WeakPolarHBondContact CE2-ND2 3.32Å; Y468-N472 PolarHBondContact O-N 3.08Å; Y468-N472 VanDerWaalsContact O-N 3.11Å; Y468-N472 PolarHBondContact OH-ND2 2.76Å; Y468-N472 VanDerWaalsContact OH-ND2 3.1Å; Y468-F509 HydrophobicContact CD2-CE1 4.41Å; Y468-F509 HydrophobicContact CD2-CE2 4.44Å; Y468-F509 AromaticContact CD2-CZ 3.9Å; Y468-F509 HydrophobicContact CD2-CZ 3.9Å; Y468-F509 HydrophobicContact CG-CE2 4.43Å; Y468-F509 HydrophobicContact CG-CZ 4.25Å; Y468-S542 WeakPolarHBondContact OH-CB 3.25Å; Y468-S542 PolarHBondContact OH-OG 3.26Å; Y468-Y543 HydrophobicContact CD1-CD1 4.48Å; Y468-Y543 AromaticContact CD1-CE1 3.76Å; Y468-Y543 HydrophobicContact CD1-CE1 3.76Å; Y468-Y543 AromaticContact CD2-CD1 3.44Å; Y468-Y543 HydrophobicContact CD2-CD1 3.44Å; Y468-Y543 VanDerWaalsContact CD2-CD1 3.44Å; Y468-Y543 AromaticContact CD2-CE1 3.52Å; Y468-Y543 HydrophobicContact CD2-CE1 3.52Å; Y468-Y543 HydrophobicContact CE1-CD1 4.34Å; Y468-Y543 AromaticContact CE1-CE1 3.73Å; Y468-Y543 HydrophobicContact CE1-CE1 3.73Å; Y468-Y543 AromaticContact CE2-CD1 3.3Å; Y468-Y543 HydrophobicContact CE2-CD1 3.3Å; Y468-Y543 AromaticContact CE2-CE1 3.55Å; Y468-Y543 HydrophobicContact CE2-CE1 3.55Å; Y468-Y543 HydrophobicContact CG-CD1 4.05Å; Y468-Y543 AromaticContact CG-CE1 3.63Å; Y468-Y543 HydrophobicContact CG-CE1 3.63Å; Y468-Y543 AromaticContact CZ-CD1 3.76Å; Y468-Y543 AromaticContact CZ-CE1 3.62Å
469S68.1Low67.5Low40 Ų4042.5 Ų42.528%0.2823%0.225SC..Hα-helixtrans-61.6-37175.9-178.40000112.4M465 N466 I467 K473M465-S469 PolarHBondContact O-N 3.39Å; M465-S469 VanDerWaalsContact O-N 3.14Å; N466-S469 PolarHBondContact O-N 3.21Å; I467-S469 VanDerWaalsContact C-N 3.33Å; I467-S469 PolarHBondContact O-N 3.17Å; S469-K473 WeakPolarHBondContact O-CB 3Å; S469-K473 VanDerWaalsContact O-CG 3.3Å; S469-K473 WeakPolarHBondContact O-CG 3.35Å; S469-K473 PolarHBondContact O-N 2.9Å; S469-K473 VanDerWaalsContact O-N 3.14Å
470I68.5Low66.2Low24 Ų2445 Ų4512%0.12324%0.237CC..Hα-helixtrans-69.5-45.6178-67.6164.2000110.8L399 N466 I467 Y468 N472 K473 L474 F501 L505L399-I470 HydrophobicContact CD2-CD1 3.5Å; L399-I470 VanDerWaalsContact CD2-CD1 3.5Å; N466-I470 VanDerWaalsContact O-CG1 3.28Å; N466-I470 WeakPolarHBondContact O-CG1 3.29Å; N466-I470 PolarHBondContact O-N 3.21Å; I467-I470 PolarHBondContact O-N 3.43Å; I467-I470 VanDerWaalsContact O-N 3.13Å; Y468-I470 VanDerWaalsContact C-N 3.28Å; Y468-I470 PolarHBondContact O-N 3.41Å; I470-N472 VanDerWaalsContact C-N 3.33Å; I470-N472 PolarHBondContact O-N 3.33Å; I470-K473 PolarHBondContact O-N 2.86Å; I470-L474 HydrophobicContact CG2-CD1 3.72Å; I470-L474 HydrophobicContact CG2-CG 4.07Å; I470-L474 WeakPolarHBondContact O-CB 3.4Å; I470-L474 WeakPolarHBondContact O-CG 3.43Å; I470-L474 PolarHBondContact O-N 3.38Å; I470-F501 HydrophobicContact CG2-CE1 4.45Å; I470-L505 HydrophobicContact CG2-CD1 3.85Å
471I69.3Low64.8Low4 Ų445.9 Ų45.92%0.02124%0.243CC..Hα-helixtrans-57.2-47.7177.9-70.8170.1000110.2I467 Y468 K473 L474 Q475 L505 F509I467-I471 HydrophobicContact CG2-CD1 3.69Å; I467-I471 HydrophobicContact CG2-CG1 4.18Å; I467-I471 WeakPolarHBondContact O-CG1 3.23Å; I467-I471 PolarHBondContact O-N 3.32Å; Y468-I471 PolarHBondContact O-N 3.41Å; I471-K473 PolarHBondContact O-N 2.7Å; I471-L474 PolarHBondContact O-N 3.28Å; I471-Q475 WeakPolarHBondContact O-CB 3.44Å; I471-Q475 VanDerWaalsContact O-CG 3.26Å; I471-Q475 WeakPolarHBondContact O-CG 3.47Å; I471-Q475 PolarHBondContact O-N 3.22Å; I471-L505 HydrophobicContact CD1-CB 4.46Å; I471-L505 HydrophobicContact CG1-CB 4.27Å; I471-F509 HydrophobicContact CD1-CB 3.75Å; I471-F509 HydrophobicContact CD1-CD1 4.14Å; I471-F509 HydrophobicContact CD1-CG 3.89Å
472N66.6Low63.6Low48 Ų4846.6 Ų46.626%0.25725%0.248SC..Hα-helixtrans-64.2-40.3179.3-73.1-9000112.4Y468 I470 Q475 E476 S546Y468-N472 VanDerWaalsContact CE2-ND2 3.27Å; Y468-N472 WeakPolarHBondContact CE2-ND2 3.32Å; Y468-N472 PolarHBondContact O-N 3.08Å; Y468-N472 VanDerWaalsContact O-N 3.11Å; Y468-N472 PolarHBondContact OH-ND2 2.76Å; Y468-N472 VanDerWaalsContact OH-ND2 3.1Å; I470-N472 VanDerWaalsContact C-N 3.33Å; I470-N472 PolarHBondContact O-N 3.33Å; N472-Q475 WeakPolarHBondContact O-CB 3.47Å; N472-Q475 PolarHBondContact O-N 3.49Å; N472-E476 PolarHBondContact O-N 2.92Å; N472-S546 PolarHBondContact OD1-OG 2.9Å
473K64.2Low62.2Low65 Ų6548 Ų4828%0.28326%0.256SS..Hα-helixtrans-66.1-40.6175-75.2173.5174.6175.40112.2Y404 I413 S469 I470 I471 Q475 E476 C477Y404-K473 PolarHBondContact O-NZ 3.42Å; I413-K473 HydrophobicContact CD1-CD 3.69Å; S469-K473 WeakPolarHBondContact O-CB 3Å; S469-K473 VanDerWaalsContact O-CG 3.3Å; S469-K473 WeakPolarHBondContact O-CG 3.35Å; S469-K473 PolarHBondContact O-N 2.9Å; S469-K473 VanDerWaalsContact O-N 3.14Å; I470-K473 PolarHBondContact O-N 2.86Å; I471-K473 PolarHBondContact O-N 2.7Å; K473-Q475 VanDerWaalsContact C-N 3.3Å; K473-Q475 PolarHBondContact O-N 2.97Å; K473-E476 PolarHBondContact O-N 3.29Å; K473-C477 PolarHBondContact O-N 2.81Å
474L64.7Low60.2Low30 Ų3053.5 Ų53.516%0.15729%0.285CS..Hα-helixtrans-67.9-30.6175.9-72.7176.1000112.1I470 I471 C477 S478 I498 F501 L505I470-L474 HydrophobicContact CG2-CD1 3.72Å; I470-L474 HydrophobicContact CG2-CG 4.07Å; I470-L474 WeakPolarHBondContact O-CB 3.4Å; I470-L474 WeakPolarHBondContact O-CG 3.43Å; I470-L474 PolarHBondContact O-N 3.38Å; I471-L474 PolarHBondContact O-N 3.28Å; L474-C477 CarbonylContact O-C 3.48Å; L474-C477 WeakPolarHBondContact O-CB 3.45Å; L474-C477 PolarHBondContact O-N 3.37Å; L474-S478 WeakPolarHBondContact O-CB 3.4Å; L474-S478 PolarHBondContact O-N 3.11Å; L474-S478 PolarHBondContact O-OG 3.37Å; L474-I498 HydrophobicContact CD2-CG2 4.25Å; L474-F501 HydrophobicContact CD1-CD1 3.74Å; L474-F501 HydrophobicContact CD1-CE1 3.82Å; L474-L505 HydrophobicContact CD1-CD1 3.9Å
475Q62.8Low58.6Low27 Ų2753.5 Ų53.513%0.12629%0.286CS..Hα-helixtrans-64-43.6173.5-77.4175.22.100111.8I471 N472 K473 C477 S478 V479 S546 T550I471-Q475 WeakPolarHBondContact O-CB 3.44Å; I471-Q475 VanDerWaalsContact O-CG 3.26Å; I471-Q475 WeakPolarHBondContact O-CG 3.47Å; I471-Q475 PolarHBondContact O-N 3.22Å; N472-Q475 WeakPolarHBondContact O-CB 3.47Å; N472-Q475 PolarHBondContact O-N 3.49Å; K473-Q475 VanDerWaalsContact C-N 3.3Å; K473-Q475 PolarHBondContact O-N 2.97Å; Q475-C477 VanDerWaalsContact C-N 3.26Å; Q475-C477 PolarHBondContact O-N 3.07Å; Q475-S478 WeakPolarHBondContact CA-OG 3.48Å; Q475-S478 PolarHBondContact O-N 3.25Å; Q475-S478 PolarHBondContact O-OG 3.14Å; Q475-V479 WeakPolarHBondContact O-CG2 3.08Å; Q475-V479 PolarHBondContact O-N 3.17Å; Q475-S546 VanDerWaalsContact NE2-C 3.29Å; Q475-S546 VanDerWaalsContact NE2-CA 3.32Å; Q475-S546 PolarHBondContact NE2-O 3.41Å; Q475-T550 PolarHBondContact NE2-OG1 3.35Å
476E55.9Low57.2Low139 Ų13957.3 Ų57.365%0.6530%0.3SS*.Hα-helixtrans-57.9-39.6172.3-69.1-178.5174.200111.5N472 K473 N480N472-E476 PolarHBondContact O-N 2.92Å; K473-E476 PolarHBondContact O-N 3.29Å; E476-N480 WeakPolarHBondContact O-CB 3.25Å; E476-N480 VanDerWaalsContact O-CG 3.23Å; E476-N480 PolarHBondContact O-N 2.86Å; E476-N480 PolarHBondContact O-ND2 3.24Å
477C50.1Low55.5Low70 Ų7064.2 Ų64.247%0.47333%0.332SS..Hα-helixtrans-68.3-44174.2-67.60000113.3K473 L474 Q475 N480 S481K473-C477 PolarHBondContact O-N 2.81Å; L474-C477 CarbonylContact O-C 3.48Å; L474-C477 WeakPolarHBondContact O-CB 3.45Å; L474-C477 PolarHBondContact O-N 3.37Å; Q475-C477 VanDerWaalsContact C-N 3.26Å; Q475-C477 PolarHBondContact O-N 3.07Å; C477-N480 CarbonylContact O-C 3.46Å; C477-N480 PolarHBondContact O-N 3.43Å; C477-S481 WeakPolarHBondContact O-CB 3.46Å; C477-S481 PolarHBondContact O-N 3Å; C477-S481 PolarHBondContact O-OG 2.95Å
478S53.2Low53.8Low11 Ų1168.1 Ų68.18%0.07736%0.359CS..Hα-helixtrans-70.9-36.1-176.369.80000112.9L474 Q475 N480 S481 V482L474-S478 WeakPolarHBondContact O-CB 3.4Å; L474-S478 PolarHBondContact O-N 3.11Å; L474-S478 PolarHBondContact O-OG 3.37Å; Q475-S478 WeakPolarHBondContact CA-OG 3.48Å; Q475-S478 PolarHBondContact O-N 3.25Å; Q475-S478 PolarHBondContact O-OG 3.14Å; S478-N480 VanDerWaalsContact C-N 3.3Å; S478-S481 WeakPolarHBondContact CA-OG 3.27Å; S478-S481 PolarHBondContact O-N 2.99Å; S478-S481 PolarHBondContact O-OG 3.05Å; S478-V482 WeakPolarHBondContact O-CB 3.44Å; S478-V482 WeakPolarHBondContact O-CG2 3.33Å; S478-V482 PolarHBondContact O-N 3.46Å
479V51.6Low52.6Low87 Ų8770.6 Ų70.653%0.52738%0.381SS..Hα-helixtrans-66.3-39.1172.8174.20000109.7Q475 N483Q475-V479 WeakPolarHBondContact O-CG2 3.08Å; Q475-V479 PolarHBondContact O-N 3.17Å; V479-N483 VanDerWaalsContact O-CG 3.29Å; V479-N483 PolarHBondContact O-N 3.39Å; V479-N483 PolarHBondContact O-ND2 3.37Å
480N46.8Very low51.3Low91 Ų9172.7 Ų72.749%0.48740%0.4SS..Hα-helixtrans-68.4-39.9174.4-75-24.7000112E476 C477 S478 N483 L484E476-N480 WeakPolarHBondContact O-CB 3.25Å; E476-N480 VanDerWaalsContact O-CG 3.23Å; E476-N480 PolarHBondContact O-N 2.86Å; E476-N480 PolarHBondContact O-ND2 3.24Å; C477-N480 CarbonylContact O-C 3.46Å; C477-N480 PolarHBondContact O-N 3.43Å; S478-N480 VanDerWaalsContact C-N 3.3Å; N480-N483 CarbonylContact O-C 3.54Å; N480-N483 WeakPolarHBondContact O-CB 3.43Å; N480-N483 PolarHBondContact O-N 3.15Å; N480-L484 HydrophobicContact CB-CD1 4.33Å; N480-L484 VanDerWaalsContact O-CB 3.25Å; N480-L484 WeakPolarHBondContact O-CB 3.33Å; N480-L484 WeakPolarHBondContact O-CD1 3.28Å; N480-L484 PolarHBondContact O-N 2.87Å
481S47.7Very low50.4Low18 Ų1873 Ų7313%0.12641%0.405CS..Hα-helixtrans-72.9-41.8-178.6720000112.9C477 S478 N483 L484 L485 D495C477-S481 WeakPolarHBondContact O-CB 3.46Å; C477-S481 PolarHBondContact O-N 3Å; C477-S481 PolarHBondContact O-OG 2.95Å; S478-S481 WeakPolarHBondContact CA-OG 3.27Å; S478-S481 PolarHBondContact O-N 2.99Å; S478-S481 PolarHBondContact O-OG 3.05Å; S481-N483 PolarHBondContact O-N 2.97Å; S481-L484 CarbonylContact O-C 3.48Å; S481-L484 PolarHBondContact O-N 3.2Å; S481-L485 WeakPolarHBondContact O-CG 3.35Å; S481-L485 PolarHBondContact O-N 2.95Å; S481-D495 WeakPolarHBondContact CB-OD1 3.15Å; S481-D495 WeakPolarHBondContact CB-OD2 3.43Å; S481-D495 PolarHBondContact OG-OD1 3.21Å
482V48.5Very low49.4Very low55 Ų5577 Ų7733%0.33343%0.425SS..Hα-helixtrans-54.3-31.8170.5172.90000111.5S478S478-V482 WeakPolarHBondContact O-CB 3.44Å; S478-V482 WeakPolarHBondContact O-CG2 3.33Å; S478-V482 PolarHBondContact O-N 3.46Å
483N45.8Very low48.4Very low117 Ų11779.6 Ų79.663%0.62644%0.438SS*.Hα-helixtrans-83.7-33.1174-70.5-26.7000114.2V479 N480 S481V479-N483 VanDerWaalsContact O-CG 3.29Å; V479-N483 PolarHBondContact O-N 3.39Å; V479-N483 PolarHBondContact O-ND2 3.37Å; N480-N483 CarbonylContact O-C 3.54Å; N480-N483 WeakPolarHBondContact O-CB 3.43Å; N480-N483 PolarHBondContact O-N 3.15Å; S481-N483 PolarHBondContact O-N 2.97Å
484L36.1Very low47.9Very low114 Ų11478 Ų7860%0.59743%0.434SS*.Hα-helixtrans-89.9-0.7-176.2-93142.1000115.2N480 S481 K486 H487N480-L484 HydrophobicContact CB-CD1 4.33Å; N480-L484 VanDerWaalsContact O-CB 3.25Å; N480-L484 WeakPolarHBondContact O-CB 3.33Å; N480-L484 WeakPolarHBondContact O-CD1 3.28Å; N480-L484 PolarHBondContact O-N 2.87Å; S481-L484 CarbonylContact O-C 3.48Å; S481-L484 PolarHBondContact O-N 3.2Å; L484-K486 PolarHBondContact O-N 2.9Å; L484-H487 PolarHBondContact O-N 3.27Å
485L39.9Very low47.7Very low35 Ų3577 Ų7718%0.18343%0.43CS..THydrogen-bonded Turntrans-5615.1171-79.7174.8000115.6S481 M492 D495 K560S481-L485 WeakPolarHBondContact O-CG 3.35Å; S481-L485 PolarHBondContact O-N 2.95Å; L485-M492 HydrophobicContact CD2-CE 3.62Å; L485-M492 HydrophobicContact CD2-CG 3.57Å; L485-M492 HydrophobicContact CD2-SD 4.46Å; L485-D495 WeakPolarHBondContact CD2-OD2 3.25Å; L485-K560 HydrophobicContact CD1-CD 4.44Å
486K44.5Very low47.7Very low180 Ų18076.6 Ų76.678%0.78343%0.428SS*.THydrogen-bonded Turntrans-89.7-15171.3-72.7-173.2177.3179.60114.3L484L484-K486 PolarHBondContact O-N 2.9Å
487H36.7Very low48.1Very low148 Ų14872 Ų7269%0.68541%0.406SS*.SBendtrans-134.7103.6-172.9-66.5-64.9000114L484L484-H487 PolarHBondContact O-N 3.27Å
488S38Very low48.8Very low82 Ų8270.3 Ų70.357%0.57339%0.392SS*.  trans83.3136.216580.40000119.3A490 S491S488-A490 VanDerWaalsContact C-N 3.32Å; S488-A490 PolarHBondContact O-N 3.46Å; S488-S491 PolarHBondContact O-N 3.48Å; S488-S491 PolarHBondContact O-OG 3.32Å
489P46.1Very low49.4Very low98 Ų9870.2 Ų70.264%0.63639%0.39SS*.THydrogen-bonded Turntrans-68.6-21.6-175.325.6-33.7000114.8S491 M492P489-S491 PolarHBondContact O-N 2.88Å; P489-M492 PolarHBondContact O-N 2.71Å
490A41Very low50.2Low83 Ų8368.2 Ų68.269%0.68637%0.373SS*.Hα-helixtrans-63.5-25.7175.200000112.7S488S488-A490 VanDerWaalsContact C-N 3.32Å; S488-A490 PolarHBondContact O-N 3.46Å
491S48.5Very low51.2Low31 Ų3164 Ų6422%0.21735%0.351CS..Hα-helixtrans-75.9-26.2176.467.60000113.9S488 P489 S494 D495S488-S491 PolarHBondContact O-N 3.48Å; S488-S491 PolarHBondContact O-OG 3.32Å; P489-S491 PolarHBondContact O-N 2.88Å; S491-S494 WeakPolarHBondContact CA-OG 3.32Å; S491-S494 PolarHBondContact O-OG 3.32Å; S491-D495 PolarHBondContact O-N 2.98Å
492M47.8Very low52.2Low88 Ų8863.7 Ų63.743%0.43335%0.348SS..Hα-helixtrans-72.5-35.4-178.3-77-167.9149.500113L485 P489 S494 D495 E496L485-M492 HydrophobicContact CD2-CE 3.62Å; L485-M492 HydrophobicContact CD2-CG 3.57Å; L485-M492 HydrophobicContact CD2-SD 4.46Å; P489-M492 PolarHBondContact O-N 2.71Å; M492-S494 VanDerWaalsContact C-N 3.34Å; M492-D495 PolarHBondContact O-N 2.84Å; M492-E496 PolarHBondContact O-N 2.9Å
493L45.8Very low53.3Low103 Ų10361.2 Ų61.254%0.53933%0.334SS..Hα-helixtrans-72.2-29.3179.3-135.8115.7000112.1
494S53.9Low54.5Low30 Ų3055.8 Ų55.821%0.2131%0.305CS..Hα-helixtrans-69.5-38.5169.743.20000111.8S491 M492 I498S491-S494 WeakPolarHBondContact CA-OG 3.32Å; S491-S494 PolarHBondContact O-OG 3.32Å; M492-S494 VanDerWaalsContact C-N 3.34Å; S494-I498 WeakPolarHBondContact O-CB 3.47Å; S494-I498 VanDerWaalsContact O-CD1 3.29Å; S494-I498 WeakPolarHBondContact O-CD1 3.38Å; S494-I498 WeakPolarHBondContact O-CG1 3.48Å; S494-I498 PolarHBondContact O-N 3.1Å; S494-I498 VanDerWaalsContact O-N 3.08Å
495D61.3Low56.2Low11 Ų1150.4 Ų50.46%0.05928%0.276CS..Hα-helixtrans-66.7-41-177.8-75-22.6000113.2S481 L485 S491 M492 I498 I499S481-D495 WeakPolarHBondContact CB-OD1 3.15Å; S481-D495 WeakPolarHBondContact CB-OD2 3.43Å; S481-D495 PolarHBondContact OG-OD1 3.21Å; L485-D495 WeakPolarHBondContact CD2-OD2 3.25Å; S491-D495 PolarHBondContact O-N 2.98Å; M492-D495 PolarHBondContact O-N 2.84Å; D495-I498 PolarHBondContact O-N 3.22Å; D495-I499 WeakPolarHBondContact O-CG1 3.47Å; D495-I499 PolarHBondContact O-N 3.25Å
496E63.5Low57.7Low18 Ų1848.8 Ų48.88%0.08427%0.268CS..Hα-helixtrans-57.9-51.3176.7177.3176.3-168.700112.1M492 I498 I499 Y500 W557 V571 V575M492-E496 PolarHBondContact O-N 2.9Å; E496-I498 VanDerWaalsContact C-N 3.3Å; E496-I498 PolarHBondContact O-N 3.42Å; E496-I499 PolarHBondContact O-N 3.45Å; E496-Y500 PolarHBondContact O-N 3Å; E496-W557 HydrophobicContact CB-CH2 4.25Å; E496-W557 HydrophobicContact CB-CZ2 3.75Å; E496-W557 HydrophobicContact CG-CH2 3.84Å; E496-W557 HydrophobicContact CG-CZ2 3.88Å; E496-V571 WeakPolarHBondContact OE1-CG1 3.31Å; E496-V575 HydrophobicContact CG-CG1 3.93Å; E496-V575 WeakPolarHBondContact OE1-CB 3.5Å; E496-V575 WeakPolarHBondContact OE1-CG1 3.46Å
497K63.3Low59Low43 Ų4341.1 Ų41.119%0.18723%0.234CC..Hα-helixtrans-64.3-36.4179.4-68.3-180-178.9-1750111.4I421 I425 Q428 F501I421-K497 HydrophobicContact CG2-CD 3.5Å; I425-K497 HydrophobicContact CD1-CD 4.15Å; I425-K497 VanDerWaalsContact CD1-NZ 3.26Å; I425-K497 HydrophobicContact CG1-CD 4.17Å; Q428-K497 PolarHBondContact NE2-O 3.21Å; Q428-K497 VanDerWaalsContact NE2-O 3.1Å; K497-F501 WeakPolarHBondContact O-CB 3.31Å; K497-F501 PolarHBondContact O-N 3.2Å
498I64.2Low60.7Low34 Ų3434.1 Ų34.117%0.17420%0.202CC..Hα-helixtrans-65.8-45.2175.5-70.5164.5000111.1L474 S494 D495 E496 F501 S502L474-I498 HydrophobicContact CD2-CG2 4.25Å; S494-I498 WeakPolarHBondContact O-CB 3.47Å; S494-I498 VanDerWaalsContact O-CD1 3.29Å; S494-I498 WeakPolarHBondContact O-CD1 3.38Å; S494-I498 WeakPolarHBondContact O-CG1 3.48Å; S494-I498 PolarHBondContact O-N 3.1Å; S494-I498 VanDerWaalsContact O-N 3.08Å; D495-I498 PolarHBondContact O-N 3.22Å; E496-I498 VanDerWaalsContact C-N 3.3Å; E496-I498 PolarHBondContact O-N 3.42Å; I498-F501 PolarHBondContact O-N 3.39Å; I498-S502 VanDerWaalsContact O-CB 3.29Å; I498-S502 WeakPolarHBondContact O-CB 3.24Å; I498-S502 PolarHBondContact O-N 3.39Å; I498-S502 PolarHBondContact O-OG 2.96Å
499I67.1Low62.5Low9 Ų930.3 Ų30.35%0.04618%0.175CC..Hα-helixtrans-65-48.6179.5-69.7169.4000110.4D495 E496 F501 S502 V503 A554 W557D495-I499 WeakPolarHBondContact O-CG1 3.47Å; D495-I499 PolarHBondContact O-N 3.25Å; E496-I499 PolarHBondContact O-N 3.45Å; I499-F501 VanDerWaalsContact C-N 3.35Å; I499-F501 PolarHBondContact O-N 3.09Å; I499-S502 WeakPolarHBondContact O-CB 3.06Å; I499-S502 PolarHBondContact O-N 3.02Å; I499-S502 VanDerWaalsContact O-N 3.11Å; I499-V503 WeakPolarHBondContact O-CG2 3.23Å; I499-V503 PolarHBondContact O-N 2.97Å; I499-A554 HydrophobicContact CG2-CB 4.19Å; I499-W557 HydrophobicContact CD1-CB 3.73Å; I499-W557 HydrophobicContact CD1-CD2 3.66Å; I499-W557 HydrophobicContact CD1-CE3 4.47Å; I499-W557 HydrophobicContact CD1-CG 3.29Å
500Y66.9Low63.7Low44 Ų4427.3 Ų27.317%0.17315%0.151CC..Hα-helixtrans-61.4-44.8178.7-176.8-137.4000111.5Q428 E496 S502 V503 C504 I579Q428-Y500 VanDerWaalsContact CD-CD1 3.44Å; Q428-Y500 HydrophobicContact CG-CD1 4.3Å; Q428-Y500 HydrophobicContact CG-CE1 4.48Å; E496-Y500 PolarHBondContact O-N 3Å; Y500-S502 VanDerWaalsContact C-N 3.29Å; Y500-S502 PolarHBondContact O-N 3.26Å; Y500-V503 PolarHBondContact O-N 3.27Å; Y500-C504 PolarHBondContact O-N 3.39Å; Y500-C504 PolarHBondContact O-SG 2.94Å; Y500-C504 VanDerWaalsContact O-SG 3.36Å; Y500-I579 HydrophobicContact CD2-CG1 3.64Å; Y500-I579 HydrophobicContact CE2-CG1 4.41Å; Y500-I579 HydrophobicContact CG-CG1 4.1Å
501F69Low65Low3 Ų324.4 Ų24.41%0.01313%0.126CC..Hα-helixtrans-58.9-40.3173.1-179.6-115.1000112.2L424 W427 Q428 I431 I470 L474 K497 I498 I499 C504 L505L424-F501 HydrophobicContact CD2-CD1 3.97Å; L424-F501 HydrophobicContact CD2-CE1 3.89Å; L424-F501 HydrophobicContact CD2-CE2 4.49Å; L424-F501 HydrophobicContact CD2-CG 4.28Å; L424-F501 HydrophobicContact CD2-CZ 4.19Å; W427-F501 HydrophobicContact CB-CD2 4.49Å; W427-F501 HydrophobicContact CB-CE2 3.78Å; W427-F501 HydrophobicContact CE3-CE1 4.44Å; W427-F501 AromaticContact CE3-CE2 3.92Å; W427-F501 HydrophobicContact CE3-CE2 3.92Å; W427-F501 AromaticContact CE3-CZ 3.61Å; W427-F501 HydrophobicContact CE3-CZ 3.61Å; W427-F501 HydrophobicContact CZ3-CZ 4.17Å; Q428-F501 HydrophobicContact CG-CB 4.16Å; Q428-F501 HydrophobicContact CG-CD2 3.94Å; I431-F501 HydrophobicContact CD1-CD2 4.1Å; I431-F501 HydrophobicContact CD1-CE2 3.51Å; I431-F501 HydrophobicContact CD1-CZ 4.34Å; I470-F501 HydrophobicContact CG2-CE1 4.45Å; L474-F501 HydrophobicContact CD1-CD1 3.74Å; L474-F501 HydrophobicContact CD1-CE1 3.82Å; K497-F501 WeakPolarHBondContact O-CB 3.31Å; K497-F501 PolarHBondContact O-N 3.2Å; I498-F501 PolarHBondContact O-N 3.39Å; I499-F501 VanDerWaalsContact C-N 3.35Å; I499-F501 PolarHBondContact O-N 3.09Å; F501-C504 PolarHBondContact O-N 3.47Å; F501-L505 HydrophobicContact CD1-CD1 3.63Å; F501-L505 HydrophobicContact CD1-CG 4.27Å; F501-L505 HydrophobicContact CD2-CG 4.34Å; F501-L505 HydrophobicContact CE1-CD1 3.16Å; F501-L505 HydrophobicContact CE1-CG 3.93Å; F501-L505 HydrophobicContact CE2-CD1 4.13Å; F501-L505 HydrophobicContact CE2-CD2 4.34Å; F501-L505 HydrophobicContact CE2-CG 3.98Å; F501-L505 HydrophobicContact CG-CD1 4.31Å; F501-L505 HydrophobicContact CG-CG 4.47Å; F501-L505 HydrophobicContact CZ-CD1 3.43Å; F501-L505 VanDerWaalsContact CZ-CD1 3.43Å; F501-L505 HydrophobicContact CZ-CD2 4.07Å; F501-L505 HydrophobicContact CZ-CG 3.76Å; F501-L505 VanDerWaalsContact O-CB 3.3Å; F501-L505 WeakPolarHBondContact O-CB 3.34Å; F501-L505 WeakPolarHBondContact O-CG 3.45Å; F501-L505 PolarHBondContact O-N 2.99Å
502S68.7Low66.1Low11 Ų1123 Ų238%0.07712%0.116CC..Hα-helixtrans-66.1-39.6178.6-59.40000112.3I498 I499 Y500 C506I498-S502 VanDerWaalsContact O-CB 3.29Å; I498-S502 WeakPolarHBondContact O-CB 3.24Å; I498-S502 PolarHBondContact O-N 3.39Å; I498-S502 PolarHBondContact O-OG 2.96Å; I499-S502 WeakPolarHBondContact O-CB 3.06Å; I499-S502 PolarHBondContact O-N 3.02Å; I499-S502 VanDerWaalsContact O-N 3.11Å; Y500-S502 VanDerWaalsContact C-N 3.29Å; Y500-S502 PolarHBondContact O-N 3.26Å; S502-C506 WeakPolarHBondContact O-CB 3.45Å; S502-C506 PolarHBondContact O-N 3.3Å; S502-C506 PolarHBondContact O-SG 3.14Å
503V70.9Confident67Low4 Ų419.6 Ų19.62%0.02410%0.1CC..Hα-helixtrans-64.3-49.1175.31740000110.4I499 Y500 L505 C506 R507 T550 A554 E582 L583I499-V503 WeakPolarHBondContact O-CG2 3.23Å; I499-V503 PolarHBondContact O-N 2.97Å; Y500-V503 PolarHBondContact O-N 3.27Å; V503-L505 PolarHBondContact O-N 2.86Å; V503-C506 PolarHBondContact O-N 3.34Å; V503-R507 PolarHBondContact O-N 3.26Å; V503-T550 HydrophobicContact CG2-CG2 4.36Å; V503-A554 HydrophobicContact CG2-CB 4.17Å; V503-E582 HydrophobicContact CG1-CB 4.48Å; V503-E582 HydrophobicContact CG1-CG 3.82Å; V503-L583 HydrophobicContact CG1-CD2 4.33Å
504C70.5Confident68.1Low3 Ų318.8 Ų18.82%0.029%0.092CC..Hα-helixtrans-60.7-42.8177-65.80000112.1I431 Y500 F501 R507 L508I431-C504 HydrophobicContact CG2-CB 4.04Å; Y500-C504 PolarHBondContact O-N 3.39Å; Y500-C504 PolarHBondContact O-SG 2.94Å; Y500-C504 VanDerWaalsContact O-SG 3.36Å; F501-C504 PolarHBondContact O-N 3.47Å; C504-R507 PolarHBondContact O-N 3.41Å; C504-L508 PolarHBondContact O-N 3.28Å
505L72.1Confident68.7Low0 Ų018.2 Ų18.20%09%0.087CC..Hα-helixtrans-62.4-42.3174.8-85.6179.7000112.2I431 I467 I470 I471 L474 F501 V503 R507 L508 F509I431-L505 HydrophobicContact CD1-CD2 3.6Å; I431-L505 HydrophobicContact CD1-CG 4.03Å; I467-L505 HydrophobicContact CG1-CD2 4.22Å; I467-L505 HydrophobicContact CG2-CD2 4.1Å; I470-L505 HydrophobicContact CG2-CD1 3.85Å; I471-L505 HydrophobicContact CD1-CB 4.46Å; I471-L505 HydrophobicContact CG1-CB 4.27Å; L474-L505 HydrophobicContact CD1-CD1 3.9Å; F501-L505 HydrophobicContact CD1-CD1 3.63Å; F501-L505 HydrophobicContact CD1-CG 4.27Å; F501-L505 HydrophobicContact CD2-CG 4.34Å; F501-L505 HydrophobicContact CE1-CD1 3.16Å; F501-L505 HydrophobicContact CE1-CG 3.93Å; F501-L505 HydrophobicContact CE2-CD1 4.13Å; F501-L505 HydrophobicContact CE2-CD2 4.34Å; F501-L505 HydrophobicContact CE2-CG 3.98Å; F501-L505 HydrophobicContact CG-CD1 4.31Å; F501-L505 HydrophobicContact CG-CG 4.47Å; F501-L505 HydrophobicContact CZ-CD1 3.43Å; F501-L505 VanDerWaalsContact CZ-CD1 3.43Å; F501-L505 HydrophobicContact CZ-CD2 4.07Å; F501-L505 HydrophobicContact CZ-CG 3.76Å; F501-L505 VanDerWaalsContact O-CB 3.3Å; F501-L505 WeakPolarHBondContact O-CB 3.34Å; F501-L505 WeakPolarHBondContact O-CG 3.45Å; F501-L505 PolarHBondContact O-N 2.99Å; V503-L505 PolarHBondContact O-N 2.86Å; L505-R507 VanDerWaalsContact C-N 3.31Å; L505-R507 PolarHBondContact O-N 3.05Å; L505-L508 PolarHBondContact O-N 2.93Å; L505-F509 WeakPolarHBondContact O-CB 3.35Å; L505-F509 PolarHBondContact O-N 3.02Å
506C72.7Confident68.8Low1 Ų118.1 Ų18.11%0.0079%0.086CC..Hα-helixtrans-63.4-39.2178.5-74.20000111.6S502 V503 Y510 I547 T550 F586S502-C506 WeakPolarHBondContact O-CB 3.45Å; S502-C506 PolarHBondContact O-N 3.3Å; S502-C506 PolarHBondContact O-SG 3.14Å; V503-C506 PolarHBondContact O-N 3.34Å; C506-Y510 VanDerWaalsContact O-CB 3.25Å; C506-Y510 WeakPolarHBondContact O-CB 3.39Å; C506-Y510 PolarHBondContact O-N 3.23Å; C506-I547 HydrophobicContact CB-CG1 4.44Å; C506-T550 PolarHBondContact SG-OG1 3.49Å; C506-F586 HydrophobicContact CB-CE1 4.33Å
507R72Confident68.5Low19 Ų1919 Ų197%0.07210%0.095CC..Hα-helixtrans-64.4-49.5175-177.6177.4169.7177.9-9.7111.7D435 V503 C504 L505 F509 Y510 S511 E582 S585 F586D435-R507 IonicContact OD1-NE 2.7Å; D435-R507 IonicContact OD2-CZ 3.48Å; D435-R507 IonicContact OD2-NE 3.13Å; D435-R507 PolarHBondContact OD2-NE 2.88Å; D435-R507 IonicContact OD2-NH2 3.06Å; D435-R507 PolarHBondContact OD2-NH2 3.21Å; V503-R507 PolarHBondContact O-N 3.26Å; C504-R507 PolarHBondContact O-N 3.41Å; L505-R507 VanDerWaalsContact C-N 3.31Å; L505-R507 PolarHBondContact O-N 3.05Å; R507-F509 VanDerWaalsContact C-N 3.35Å; R507-F509 PolarHBondContact O-N 3.48Å; R507-Y510 WeakPolarHBondContact O-CB 3.39Å; R507-Y510 PolarHBondContact O-N 3.15Å; R507-S511 PolarHBondContact O-N 3.21Å; R507-S511 PolarHBondContact O-OG 2.71Å; R507-E582 WeakPolarHBondContact CD-OE1 3.15Å; R507-E582 IonicContact CZ-OE1 2.58Å; R507-E582 IonicContact NE-OE1 3.73Å; R507-E582 IonicContact NH1-OE1 3.34Å; R507-E582 PolarHBondContact NH1-OE1 3.37Å; R507-E582 IonicContact NH1-OE2 3.94Å; R507-E582 PolarHBondContact NH1-OE2 2.75Å; R507-E582 VanDerWaalsContact NH1-OE2 3.07Å; R507-S585 PolarHBondContact NH1-OG 3.44Å; R507-F586 HydrophobicContact CB-CD2 3.98Å; R507-F586 HydrophobicContact CB-CE2 3.99Å; R507-F586 HydrophobicContact CB-CG 4.33Å; R507-F586 HydrophobicContact CB-CZ 4.31Å; R507-F586 HydrophobicContact CG-CD2 3.82Å; R507-F586 HydrophobicContact CG-CE2 4.11Å; R507-F586 HydrophobicContact CG-CG 4.42Å
508L72.1Confident68.1Low1 Ų122.7 Ų22.71%0.00511%0.111CC..Hα-helixtrans-60.6-44175.5174.962.2000112I431 L434 F438 I467 C504 L505 Y510 S511 L512I431-L508 HydrophobicContact CB-CD2 4.36Å; I431-L508 HydrophobicContact CG1-CD2 3.94Å; I431-L508 HydrophobicContact CG2-CB 3.79Å; I431-L508 HydrophobicContact CG2-CD2 3.9Å; I431-L508 HydrophobicContact CG2-CG 4.41Å; L434-L508 HydrophobicContact CD2-CD1 3.59Å; L434-L508 HydrophobicContact CD2-CD2 4.13Å; L434-L508 HydrophobicContact CG-CD1 4.2Å; F438-L508 HydrophobicContact CD2-CD1 4.34Å; F438-L508 HydrophobicContact CE2-CD1 3.98Å; I467-L508 HydrophobicContact CD1-CD2 3.72Å; I467-L508 HydrophobicContact CD1-CG 4.11Å; C504-L508 PolarHBondContact O-N 3.28Å; L505-L508 PolarHBondContact O-N 2.93Å; L508-Y510 VanDerWaalsContact C-N 3.31Å; L508-Y510 PolarHBondContact O-N 3.16Å; L508-S511 WeakPolarHBondContact O-CB 3.26Å; L508-S511 PolarHBondContact O-N 2.83Å; L508-L512 HydrophobicContact CD1-CD1 4.18Å; L508-L512 HydrophobicContact CD1-CG 4.12Å; L508-L512 HydrophobicContact CG-CD1 3.99Å; L508-L512 HydrophobicContact CG-CG 4.37Å; L508-L512 VanDerWaalsContact O-CG 3.32Å; L508-L512 WeakPolarHBondContact O-CG 3.21Å; L508-L512 PolarHBondContact O-N 3.07Å
509F74.8Confident67.2Low2 Ų225.5 Ų25.51%0.00912%0.122CC..Hα-helixtrans-57.9-46.1176.7-179.5-113.6000111.2K464 I467 Y468 I471 L505 R507 L512 V513 Y543 I547K464-F509 HydrophobicContact CG-CD2 4.47Å; K464-F509 HydrophobicContact CG-CE2 3.92Å; I467-F509 HydrophobicContact CB-CD2 4.32Å; I467-F509 HydrophobicContact CG2-CB 3.72Å; I467-F509 HydrophobicContact CG2-CD2 3.82Å; I467-F509 HydrophobicContact CG2-CG 4.1Å; Y468-F509 HydrophobicContact CD2-CE1 4.41Å; Y468-F509 HydrophobicContact CD2-CE2 4.44Å; Y468-F509 AromaticContact CD2-CZ 3.9Å; Y468-F509 HydrophobicContact CD2-CZ 3.9Å; Y468-F509 HydrophobicContact CG-CE2 4.43Å; Y468-F509 HydrophobicContact CG-CZ 4.25Å; I471-F509 HydrophobicContact CD1-CB 3.75Å; I471-F509 HydrophobicContact CD1-CD1 4.14Å; I471-F509 HydrophobicContact CD1-CG 3.89Å; L505-F509 WeakPolarHBondContact O-CB 3.35Å; L505-F509 PolarHBondContact O-N 3.02Å; R507-F509 VanDerWaalsContact C-N 3.35Å; R507-F509 PolarHBondContact O-N 3.48Å; F509-L512 PolarHBondContact O-N 3.45Å; F509-V513 HydrophobicContact CD1-CG2 4.22Å; F509-V513 HydrophobicContact CD2-CG2 4.14Å; F509-V513 HydrophobicContact CE1-CG2 3.82Å; F509-V513 HydrophobicContact CE2-CG2 3.7Å; F509-V513 HydrophobicContact CG-CG2 4.37Å; F509-V513 HydrophobicContact CZ-CG2 3.53Å; F509-V513 WeakPolarHBondContact O-CB 3.33Å; F509-V513 VanDerWaalsContact O-CG2 3.28Å; F509-V513 WeakPolarHBondContact O-CG2 3.41Å; F509-V513 PolarHBondContact O-N 3.26Å; F509-Y543 HydrophobicContact CE1-CD1 4.02Å; F509-Y543 HydrophobicContact CE1-CG 4.01Å; F509-Y543 AromaticContact CZ-CD1 3.59Å; F509-Y543 HydrophobicContact CZ-CD1 3.59Å; F509-Y543 HydrophobicContact CZ-CD2 4.4Å; F509-Y543 AromaticContact CZ-CE1 3.96Å; F509-Y543 HydrophobicContact CZ-CE1 3.96Å; F509-Y543 AromaticContact CZ-CG 3.84Å; F509-Y543 HydrophobicContact CZ-CG 3.84Å; F509-I547 HydrophobicContact CD1-CD1 4.33Å
510Y71.2Confident65.6Low35 Ų3531.7 Ų31.714%0.13716%0.155CC..Hα-helixtrans-59.8-46.2175.8176.5-91.6000111.7C506 R507 L508 L512 V513 K514 I547 F586 I589 S593C506-Y510 VanDerWaalsContact O-CB 3.25Å; C506-Y510 WeakPolarHBondContact O-CB 3.39Å; C506-Y510 PolarHBondContact O-N 3.23Å; R507-Y510 WeakPolarHBondContact O-CB 3.39Å; R507-Y510 PolarHBondContact O-N 3.15Å; L508-Y510 VanDerWaalsContact C-N 3.31Å; L508-Y510 PolarHBondContact O-N 3.16Å; Y510-L512 PolarHBondContact O-N 3.39Å; Y510-V513 PolarHBondContact O-N 3.13Å; Y510-K514 WeakPolarHBondContact O-CB 3.18Å; Y510-K514 PolarHBondContact O-N 3.31Å; Y510-I547 HydrophobicContact CD2-CD1 4.22Å; Y510-F586 HydrophobicContact CD1-CE2 4.2Å; Y510-F586 HydrophobicContact CG-CE2 4.16Å; Y510-I589 HydrophobicContact CD1-CG2 4.42Å; Y510-I589 HydrophobicContact CE1-CG2 3.66Å; Y510-S593 WeakPolarHBondContact OH-CB 3.32Å; Y510-S593 PolarHBondContact OH-OG 3.01Å
511S69.6Low64.1Low23 Ų2334.6 Ų34.616%0.16117%0.173CC..Hα-helixtrans-57.4-44.7174-62.40000111.7D435 R507 L508 K514 I515D435-S511 PolarHBondContact OD1-OG 3.21Å; R507-S511 PolarHBondContact O-N 3.21Å; R507-S511 PolarHBondContact O-OG 2.71Å; L508-S511 WeakPolarHBondContact O-CB 3.26Å; L508-S511 PolarHBondContact O-N 2.83Å; S511-K514 PolarHBondContact O-N 3.15Å; S511-I515 WeakPolarHBondContact O-CD1 3.4Å; S511-I515 VanDerWaalsContact O-CG1 3.25Å; S511-I515 WeakPolarHBondContact O-CG1 3.49Å; S511-I515 PolarHBondContact O-N 3.12Å
512L69.9Low62.5Low0 Ų039.2 Ų39.20%021%0.205CC..Hα-helixtrans-68.8-39.5179-70.4171.9000113.9F438 L460 L463 I467 L508 F509 Y510 K514 I515 T516F438-L512 HydrophobicContact CE2-CD2 4.14Å; F438-L512 HydrophobicContact CZ-CD2 4.4Å; L460-L512 HydrophobicContact CD2-CD2 3.65Å; L463-L512 HydrophobicContact CD2-CD1 3.83Å; L463-L512 HydrophobicContact CD2-CD2 4.37Å; L463-L512 HydrophobicContact CG-CD1 3.95Å; I467-L512 HydrophobicContact CD1-CD1 3.56Å; L508-L512 HydrophobicContact CD1-CD1 4.18Å; L508-L512 HydrophobicContact CD1-CG 4.12Å; L508-L512 HydrophobicContact CG-CD1 3.99Å; L508-L512 HydrophobicContact CG-CG 4.37Å; L508-L512 VanDerWaalsContact O-CG 3.32Å; L508-L512 WeakPolarHBondContact O-CG 3.21Å; L508-L512 PolarHBondContact O-N 3.07Å; F509-L512 PolarHBondContact O-N 3.45Å; Y510-L512 PolarHBondContact O-N 3.39Å; L512-K514 VanDerWaalsContact C-N 3.32Å; L512-I515 PolarHBondContact O-N 3.07Å; L512-T516 WeakPolarHBondContact O-CB 3.49Å; L512-T516 WeakPolarHBondContact O-CG2 3.37Å; L512-T516 PolarHBondContact O-N 3.26Å; L512-T516 PolarHBondContact O-OG1 3.29Å
513V68.2Low60.8Low17 Ų1743.9 Ų43.910%0.10324%0.238CC..Hα-helixtrans-63.8-42.1176.5168.50000110.2K464 F509 Y510 I515 S517K464-V513 HydrophobicContact CD-CG2 4.11Å; K464-V513 HydrophobicContact CG-CG2 4.32Å; F509-V513 HydrophobicContact CD1-CG2 4.22Å; F509-V513 HydrophobicContact CD2-CG2 4.14Å; F509-V513 HydrophobicContact CE1-CG2 3.82Å; F509-V513 HydrophobicContact CE2-CG2 3.7Å; F509-V513 HydrophobicContact CG-CG2 4.37Å; F509-V513 HydrophobicContact CZ-CG2 3.53Å; F509-V513 WeakPolarHBondContact O-CB 3.33Å; F509-V513 VanDerWaalsContact O-CG2 3.28Å; F509-V513 WeakPolarHBondContact O-CG2 3.41Å; F509-V513 PolarHBondContact O-N 3.26Å; Y510-V513 PolarHBondContact O-N 3.13Å; V513-I515 VanDerWaalsContact C-N 3.3Å; V513-I515 PolarHBondContact O-N 2.88Å; V513-S517 WeakPolarHBondContact O-CB 3.35Å; V513-S517 PolarHBondContact O-N 2.95Å; V513-S517 PolarHBondContact O-OG 3.08Å
514K67.6Low58.8Low86 Ų8648.1 Ų48.137%0.37427%0.268SS..Hα-helixtrans-59.5-40175.5-174.1178.3176.2-177.90112.3E443 Y510 S511 L512E443-K514 VanDerWaalsContact CD-NZ 3.29Å; E443-K514 WeakPolarHBondContact OE1-CE 3.48Å; E443-K514 IonicContact OE1-NZ 3.01Å; E443-K514 PolarHBondContact OE1-NZ 3.45Å; E443-K514 WeakPolarHBondContact OE2-CE 3.32Å; E443-K514 IonicContact OE2-NZ 3.45Å; Y510-K514 WeakPolarHBondContact O-CB 3.18Å; Y510-K514 PolarHBondContact O-N 3.31Å; S511-K514 PolarHBondContact O-N 3.15Å; L512-K514 VanDerWaalsContact C-N 3.32Å
515I66.3Low56.8Low18 Ų1854.1 Ų54.19%0.09230%0.304CS..Hα-helixtrans-74.4-47-179.4-65.4161.6000111.9F438 L446 M447 L450 S511 L512 V513F438-I515 HydrophobicContact CD1-CD1 4.49Å; F438-I515 HydrophobicContact CD2-CD1 4.44Å; F438-I515 HydrophobicContact CE1-CD1 4.48Å; F438-I515 HydrophobicContact CE2-CD1 4.42Å; F438-I515 HydrophobicContact CG-CD1 4.47Å; F438-I515 HydrophobicContact CZ-CD1 4.45Å; L446-I515 HydrophobicContact CD2-CD1 3.64Å; L446-I515 HydrophobicContact CD2-CG1 4Å; L446-I515 HydrophobicContact CG-CD1 4.48Å; M447-I515 HydrophobicContact SD-CG2 3.96Å; L450-I515 HydrophobicContact CD1-CG2 3.6Å; S511-I515 WeakPolarHBondContact O-CD1 3.4Å; S511-I515 VanDerWaalsContact O-CG1 3.25Å; S511-I515 WeakPolarHBondContact O-CG1 3.49Å; S511-I515 PolarHBondContact O-N 3.12Å; L512-I515 PolarHBondContact O-N 3.07Å; V513-I515 VanDerWaalsContact C-N 3.3Å; V513-I515 PolarHBondContact O-N 2.88Å
516T63.8Low54.7Low9 Ų961.4 Ų61.46%0.05534%0.343CS..Hα-helixtrans-80.3-23.6-168.9550000115.3N461 K464 L512 K518N461-T516 WeakPolarHBondContact OD1-CB 3.4Å; N461-T516 VanDerWaalsContact OD1-CG2 3.28Å; N461-T516 WeakPolarHBondContact OD1-CG2 3.35Å; K464-T516 VanDerWaalsContact CD-OG1 3.25Å; K464-T516 WeakPolarHBondContact CD-OG1 3.41Å; K464-T516 PolarHBondContact NZ-OG1 3.46Å; L512-T516 WeakPolarHBondContact O-CB 3.49Å; L512-T516 WeakPolarHBondContact O-CG2 3.37Å; L512-T516 PolarHBondContact O-N 3.26Å; L512-T516 PolarHBondContact O-OG1 3.29Å; T516-K518 VanDerWaalsContact C-N 3.33Å; T516-K518 PolarHBondContact O-N 2.78Å
517S58.6Low52.6Low37 Ų3770.6 Ų70.626%0.25939%0.386SS..G310 helixtrans-70-22.5-174.7490000114.6V513 K519V513-S517 WeakPolarHBondContact O-CB 3.35Å; V513-S517 PolarHBondContact O-N 2.95Å; V513-S517 PolarHBondContact O-OG 3.08Å; S517-K519 PolarHBondContact O-N 3.15Å
518K54.1Low50.4Low121 Ų12175 Ų7553%0.52642%0.42SS..G310 helixtrans-71.6-6.5-179.1-75.6-177.8176.3177.10114.7M447 T516M447-K518 HydrophobicContact CE-CB 3.92Å; M447-K518 HydrophobicContact CE-CD 4.18Å; T516-K518 VanDerWaalsContact C-N 3.33Å; T516-K518 PolarHBondContact O-N 2.78Å
519K45.2Very low48.2Very low93 Ų9378.7 Ų78.740%0.40445%0.445SS..G310 helixtrans-72-33.2179.9-145.4-173.4-172.6-177.20113.4L457 S517 L521 S522L457-K519 HydrophobicContact CD2-CD 3.77Å; L457-K519 VanDerWaalsContact CD2-CE 3.47Å; S517-K519 PolarHBondContact O-N 3.15Å; K519-L521 PolarHBondContact O-N 3.22Å; K519-L521 VanDerWaalsContact O-N 3.17Å; K519-S522 PolarHBondContact O-N 3.36Å; K519-S522 PolarHBondContact O-OG 2.74Å
520D34.1Very low46Very low139 Ų13985.2 Ų85.274%0.74349%0.486SS*.G310 helixtrans-70.7-11.4-174.9-70.3-25.3000113.6
521L34.9Very low43.8Very low104 Ų10487.6 Ų87.655%0.54550%0.5SS..G310 helixtrans-91.3-14.2-177.5-78.9127000114.8K519 S523K519-L521 PolarHBondContact O-N 3.22Å; K519-L521 VanDerWaalsContact O-N 3.17Å; L521-S523 PolarHBondContact O-N 3.04Å
522S35.2Very low41.8Very low100 Ų10093.2 Ų93.270%0.69953%0.527SS*.THydrogen-bonded Turntrans-81.3-11.8-171.3620000115.4K519K519-S522 PolarHBondContact O-N 3.36Å; K519-S522 PolarHBondContact O-OG 2.74Å
523S34.1Very low40.2Very low109 Ų10996.5 Ų96.576%0.76254%0.542SS*.THydrogen-bonded Turntrans-107.15.8-175.761.60000115.9L521L521-S523 PolarHBondContact O-N 3.04Å
524S27.4Very low38.5Very low94 Ų94100.7 Ų100.766%0.65756%0.564SS**  trans-135.290.8170.558.60000111.6N526S524-N526 PolarHBondContact O-N 3.03Å
525V28.8Very low37.1Very low129 Ų129102 Ų10278%0.78258%0.575SS**  trans-69.6105.8168177.80000107.6
526N27.8Very low35.7Very low153 Ų153106.6 Ų106.682%0.81860%0.604SS**  trans-162.7121.5145.6-93.1-21.4000110.2S524 S528S524-N526 PolarHBondContact O-N 3.03Å; N526-S528 PolarHBondContact O-N 3.26Å
527E29.2Very low34.9Very low194 Ų194108.4 Ų108.491%0.90762%0.617SS**  trans-69.299.4-176-62.1167.6147.500111.6
528S26.3Very low34.5Very low112 Ų112111.4 Ų111.478%0.78364%0.638SS**  trans-176.154.6153.5600000111.8N526N526-S528 PolarHBondContact O-N 3.26Å
529S25.2Very low34.5Very low77 Ų77108 Ų10854%0.53863%0.63SS.*  trans-175.3116.4164.738.60000110.9I531S529-I531 PolarHBondContact O-N 2.86Å; S529-I531 VanDerWaalsContact OG-CD1 3.27Å; S529-I531 WeakPolarHBondContact OG-CD1 3.33Å; S529-I531 WeakPolarHBondContact OG-CG1 3.37Å
530T28Very low35Very low140 Ų140105.1 Ų105.186%0.85962%0.616SS**  trans-48.574.813922.50000109.5L532T530-L532 PolarHBondContact O-N 2.85Å
531I25Very low36.3Very low85 Ų85101.2 Ų101.244%0.43660%0.6SS.*  trans-81.165.7168.6-47.1178.9000107.2S529 F533S529-I531 PolarHBondContact O-N 2.86Å; S529-I531 VanDerWaalsContact OG-CD1 3.27Å; S529-I531 WeakPolarHBondContact OG-CD1 3.33Å; S529-I531 WeakPolarHBondContact OG-CG1 3.37Å; I531-F533 PolarHBondContact O-N 2.73Å; I531-F533 VanDerWaalsContact O-N 3.15Å
532L29.3Very low37.8Very low140 Ų14097.9 Ų97.973%0.73359%0.585SS**SBendtrans-67.6101.3156-89.3160.4000105.7T530T530-L532 PolarHBondContact O-N 2.85Å
533F35.7Very low39.4Very low70 Ų7094.9 Ų94.931%0.30756%0.559SS.*  trans43.2103.3173.6-66.6-88.6000114.3I531 N535 Y540I531-F533 PolarHBondContact O-N 2.73Å; I531-F533 VanDerWaalsContact O-N 3.15Å; F533-N535 VanDerWaalsContact C-N 3.31Å; F533-N535 PolarHBondContact O-N 3.43Å; F533-Y540 AromaticContact CD1-CD2 3.8Å; F533-Y540 HydrophobicContact CD1-CD2 3.8Å; F533-Y540 HydrophobicContact CD1-CE1 4.45Å; F533-Y540 AromaticContact CD1-CE2 3.51Å; F533-Y540 HydrophobicContact CD1-CE2 3.51Å; F533-Y540 HydrophobicContact CD1-CG 4.39Å; F533-Y540 AromaticContact CD1-CZ 3.87Å; F533-Y540 HydrophobicContact CE1-CD2 4.08Å; F533-Y540 AromaticContact CE1-CE2 3.56Å; F533-Y540 HydrophobicContact CE1-CE2 3.56Å; F533-Y540 HydrophobicContact CG-CE2 4.31Å; F533-Y540 HydrophobicContact CZ-CE2 4.38Å
534D32.1Very low40.9Very low105 Ų10590.7 Ų90.756%0.56153%0.528SS*.  trans-52.6100.7162.6-108.8-13.4000108.9T536 S537D534-T536 PolarHBondContact O-N 3.08Å; D534-S537 PolarHBondContact O-N 3.45Å; D534-S537 VanDerWaalsContact O-N 3.14Å; D534-S537 PolarHBondContact O-OG 3.31Å
535N37.3Very low42.9Very low112 Ų11289.2 Ų89.260%0.59951%0.513SS*.THydrogen-bonded Turntrans-59-4.7175.4-80.4-41.4000112F533F533-N535 VanDerWaalsContact C-N 3.31Å; F533-N535 PolarHBondContact O-N 3.43Å
536T38.1Very low44.7Very low115 Ų11583.5 Ų83.571%0.70648%0.479SS*.THydrogen-bonded Turntrans-96-13.3-176.552.80000113D534 S538D534-T536 PolarHBondContact O-N 3.08Å; T536-S538 PolarHBondContact O-N 3.42Å
537S45.7Very low46.8Very low47 Ų4777 Ų7733%0.32944%0.444SS..  trans-69.1115.7173.166.60000109.4D534 S539 Y540D534-S537 PolarHBondContact O-N 3.45Å; D534-S537 VanDerWaalsContact O-N 3.14Å; D534-S537 PolarHBondContact O-OG 3.31Å; S537-S539 PolarHBondContact O-N 3.01Å; S537-Y540 PolarHBondContact O-N 3.36Å; S537-Y540 WeakPolarHBondContact OG-CB 3.23Å
538S50.9Low48.7Very low101 Ų10169 Ų6971%0.70641%0.406SS*.Hα-helixtrans-56.1-21.5178.6570000113.1T536 S541 S542T536-S538 PolarHBondContact O-N 3.42Å; S538-S541 PolarHBondContact O-OG 3.49Å; S538-S542 PolarHBondContact O-OG 2.67Å
539S54.4Low50.7Low50 Ų5067.2 Ų67.235%0.3539%0.388SS..Hα-helixtrans-70.7-41.917447.60000113.3S537 S542 Y543S537-S539 PolarHBondContact O-N 3.01Å; S539-S542 PolarHBondContact O-N 3.48Å; S539-S542 PolarHBondContact O-OG 3.42Å; S539-Y543 WeakPolarHBondContact O-CD1 3.29Å; S539-Y543 WeakPolarHBondContact O-CD2 3.19Å; S539-Y543 VanDerWaalsContact O-CG 3.22Å; S539-Y543 PolarHBondContact O-N 2.97Å; S539-Y543 VanDerWaalsContact O-N 3.1Å
540Y56Low52.8Low32 Ų3263.8 Ų63.813%0.12536%0.364CS..Hα-helixtrans-72.5-40.8-175.4-171.3-102.5000112.6F533 S537 S542 Y543 V544 C594F533-Y540 AromaticContact CD1-CD2 3.8Å; F533-Y540 HydrophobicContact CD1-CD2 3.8Å; F533-Y540 HydrophobicContact CD1-CE1 4.45Å; F533-Y540 AromaticContact CD1-CE2 3.51Å; F533-Y540 HydrophobicContact CD1-CE2 3.51Å; F533-Y540 HydrophobicContact CD1-CG 4.39Å; F533-Y540 AromaticContact CD1-CZ 3.87Å; F533-Y540 HydrophobicContact CE1-CD2 4.08Å; F533-Y540 AromaticContact CE1-CE2 3.56Å; F533-Y540 HydrophobicContact CE1-CE2 3.56Å; F533-Y540 HydrophobicContact CG-CE2 4.31Å; F533-Y540 HydrophobicContact CZ-CE2 4.38Å; S537-Y540 PolarHBondContact O-N 3.36Å; S537-Y540 WeakPolarHBondContact OG-CB 3.23Å; Y540-S542 PolarHBondContact O-N 3.17Å; Y540-Y543 HydrophobicContact CD2-CD2 4.35Å; Y540-Y543 WeakPolarHBondContact O-CB 3.48Å; Y540-Y543 PolarHBondContact O-N 2.83Å; Y540-Y543 VanDerWaalsContact O-N 3.1Å; Y540-V544 HydrophobicContact CD1-CG2 4.02Å; Y540-V544 HydrophobicContact CE1-CG2 3.59Å; Y540-V544 HydrophobicContact CE2-CG2 4.44Å; Y540-V544 PolarHBondContact O-N 3.42Å; Y540-C594 PolarHBondContact OH-SG 3.13Å
541S61Low54.8Low57 Ų5757.4 Ų57.440%0.39933%0.325SS..Hα-helixtrans-57.4-40.5173.458.70000111.2S538 V544 D545S538-S541 PolarHBondContact O-OG 3.49Å; S541-V544 PolarHBondContact O-N 3.49Å; S541-D545 WeakPolarHBondContact O-CB 3.3Å; S541-D545 PolarHBondContact O-N 3.25Å
542S66.2Low57Low33 Ų3358.6 Ų58.623%0.23132%0.323CS..Hα-helixtrans-64.5-39.2175.966.50000112.9Y468 S538 S539 Y540 S546Y468-S542 WeakPolarHBondContact OH-CB 3.25Å; Y468-S542 PolarHBondContact OH-OG 3.26Å; S538-S542 PolarHBondContact O-OG 2.67Å; S539-S542 PolarHBondContact O-N 3.48Å; S539-S542 PolarHBondContact O-OG 3.42Å; Y540-S542 PolarHBondContact O-N 3.17Å; S542-S546 PolarHBondContact O-N 3.5Å; S542-S546 PolarHBondContact O-OG 3.19Å
543Y68.7Low58.7Low38 Ų3852.9 Ų52.915%0.14930%0.295CS..Hα-helixtrans-62.7-45.3176.5-61.5-26.7000112.9Y468 F509 S539 Y540 S546 I547Y468-Y543 HydrophobicContact CD1-CD1 4.48Å; Y468-Y543 AromaticContact CD1-CE1 3.76Å; Y468-Y543 HydrophobicContact CD1-CE1 3.76Å; Y468-Y543 AromaticContact CD2-CD1 3.44Å; Y468-Y543 HydrophobicContact CD2-CD1 3.44Å; Y468-Y543 VanDerWaalsContact CD2-CD1 3.44Å; Y468-Y543 AromaticContact CD2-CE1 3.52Å; Y468-Y543 HydrophobicContact CD2-CE1 3.52Å; Y468-Y543 HydrophobicContact CE1-CD1 4.34Å; Y468-Y543 AromaticContact CE1-CE1 3.73Å; Y468-Y543 HydrophobicContact CE1-CE1 3.73Å; Y468-Y543 AromaticContact CE2-CD1 3.3Å; Y468-Y543 HydrophobicContact CE2-CD1 3.3Å; Y468-Y543 AromaticContact CE2-CE1 3.55Å; Y468-Y543 HydrophobicContact CE2-CE1 3.55Å; Y468-Y543 HydrophobicContact CG-CD1 4.05Å; Y468-Y543 AromaticContact CG-CE1 3.63Å; Y468-Y543 HydrophobicContact CG-CE1 3.63Å; Y468-Y543 AromaticContact CZ-CD1 3.76Å; Y468-Y543 AromaticContact CZ-CE1 3.62Å; F509-Y543 HydrophobicContact CE1-CD1 4.02Å; F509-Y543 HydrophobicContact CE1-CG 4.01Å; F509-Y543 AromaticContact CZ-CD1 3.59Å; F509-Y543 HydrophobicContact CZ-CD1 3.59Å; F509-Y543 HydrophobicContact CZ-CD2 4.4Å; F509-Y543 AromaticContact CZ-CE1 3.96Å; F509-Y543 HydrophobicContact CZ-CE1 3.96Å; F509-Y543 AromaticContact CZ-CG 3.84Å; F509-Y543 HydrophobicContact CZ-CG 3.84Å; S539-Y543 WeakPolarHBondContact O-CD1 3.29Å; S539-Y543 WeakPolarHBondContact O-CD2 3.19Å; S539-Y543 VanDerWaalsContact O-CG 3.22Å; S539-Y543 PolarHBondContact O-N 2.97Å; S539-Y543 VanDerWaalsContact O-N 3.1Å; Y540-Y543 HydrophobicContact CD2-CD2 4.35Å; Y540-Y543 WeakPolarHBondContact O-CB 3.48Å; Y540-Y543 PolarHBondContact O-N 2.83Å; Y540-Y543 VanDerWaalsContact O-N 3.1Å; Y543-S546 PolarHBondContact O-N 3.38Å; Y543-I547 WeakPolarHBondContact O-CG1 3.45Å; Y543-I547 PolarHBondContact O-N 3.02Å; Y543-I547 VanDerWaalsContact O-N 3.17Å
544V65.6Low60.3Low20 Ų2049.6 Ų49.612%0.12128%0.281CS..Hα-helixtrans-66-45.4179.9173.60000110.7Y540 S541 S546 I547 F548Y540-V544 HydrophobicContact CD1-CG2 4.02Å; Y540-V544 HydrophobicContact CE1-CG2 3.59Å; Y540-V544 HydrophobicContact CE2-CG2 4.44Å; Y540-V544 PolarHBondContact O-N 3.42Å; S541-V544 PolarHBondContact O-N 3.49Å; V544-S546 VanDerWaalsContact C-N 3.3Å; V544-S546 PolarHBondContact O-N 3.3Å; V544-I547 PolarHBondContact O-N 2.93Å; V544-F548 HydrophobicContact CG1-CD2 3.53Å; V544-F548 HydrophobicContact CG1-CE2 3.5Å; V544-F548 VanDerWaalsContact O-CD2 3.27Å; V544-F548 WeakPolarHBondContact O-CD2 3.24Å; V544-F548 PolarHBondContact O-N 2.91Å
545D68.8Low61.9Low64 Ų6444.7 Ų44.734%0.34226%0.255SS..Hα-helixtrans-62.9-37.5178.8-72.8-27.8000111.8S541 F548 N549 K600S541-D545 WeakPolarHBondContact O-CB 3.3Å; S541-D545 PolarHBondContact O-N 3.25Å; D545-F548 PolarHBondContact O-N 2.9Å; D545-N549 WeakPolarHBondContact O-CB 2.98Å; D545-N549 PolarHBondContact O-N 3.29Å; D545-N549 PolarHBondContact O-ND2 2.92Å; D545-N549 VanDerWaalsContact O-ND2 3.14Å; D545-K600 IonicContact OD1-NZ 3.71Å; D545-K600 PolarHBondContact OD1-NZ 3.25Å
546S68.6Low63.3Low9 Ų947 Ų476%0.06326%0.255CS..Hα-helixtrans-60.3-49.7172.6-61.30000111.5N472 Q475 S542 Y543 V544 F548 N549 T550N472-S546 PolarHBondContact OD1-OG 2.9Å; Q475-S546 VanDerWaalsContact NE2-C 3.29Å; Q475-S546 VanDerWaalsContact NE2-CA 3.32Å; Q475-S546 PolarHBondContact NE2-O 3.41Å; S542-S546 PolarHBondContact O-N 3.5Å; S542-S546 PolarHBondContact O-OG 3.19Å; Y543-S546 PolarHBondContact O-N 3.38Å; V544-S546 VanDerWaalsContact C-N 3.3Å; V544-S546 PolarHBondContact O-N 3.3Å; S546-F548 PolarHBondContact O-N 2.96Å; S546-N549 PolarHBondContact O-N 2.95Å; S546-T550 PolarHBondContact O-N 3Å; S546-T550 VanDerWaalsContact O-N 3.16Å; S546-T550 PolarHBondContact O-OG1 2.87Å
547I70Confident64.5Low15 Ų1542.7 Ų42.78%0.07723%0.226CC..Hα-helixtrans-60.2-45.4179.6-65.5168.5000111.5C506 F509 Y510 Y543 V544 N549 T550 I551 F586 I590C506-I547 HydrophobicContact CB-CG1 4.44Å; F509-I547 HydrophobicContact CD1-CD1 4.33Å; Y510-I547 HydrophobicContact CD2-CD1 4.22Å; Y543-I547 WeakPolarHBondContact O-CG1 3.45Å; Y543-I547 PolarHBondContact O-N 3.02Å; Y543-I547 VanDerWaalsContact O-N 3.17Å; V544-I547 PolarHBondContact O-N 2.93Å; I547-N549 PolarHBondContact O-N 3.37Å; I547-T550 WeakPolarHBondContact O-CB 3.46Å; I547-T550 PolarHBondContact O-N 3.34Å; I547-I551 HydrophobicContact CG2-CD1 4.01Å; I547-I551 WeakPolarHBondContact O-CG1 3.47Å; I547-I551 PolarHBondContact O-N 3.06Å; I547-F586 HydrophobicContact CG2-CE1 4.08Å; I547-F586 HydrophobicContact CG2-CZ 4.07Å; I547-I590 HydrophobicContact CG2-CD1 4.14Å
548F69.5Low65.5Low26 Ų2641.1 Ų41.111%0.11421%0.214CC..Hα-helixtrans-63.2-40.1179.7-88-68.4000113.1V544 D545 S546 T550 I551 R552 S597 K600 L601V544-F548 HydrophobicContact CG1-CD2 3.53Å; V544-F548 HydrophobicContact CG1-CE2 3.5Å; V544-F548 VanDerWaalsContact O-CD2 3.27Å; V544-F548 WeakPolarHBondContact O-CD2 3.24Å; V544-F548 PolarHBondContact O-N 2.91Å; D545-F548 PolarHBondContact O-N 2.9Å; S546-F548 PolarHBondContact O-N 2.96Å; F548-T550 VanDerWaalsContact C-N 3.3Å; F548-T550 PolarHBondContact O-N 3.34Å; F548-I551 PolarHBondContact O-N 2.88Å; F548-R552 WeakPolarHBondContact O-CB 3.48Å; F548-R552 PolarHBondContact O-N 3.15Å; F548-S597 VanDerWaalsContact CZ-O 3.26Å; F548-S597 WeakPolarHBondContact CZ-O 3.31Å; F548-K600 HydrophobicContact CD2-CD 4.46Å; F548-K600 HydrophobicContact CE1-CB 4.33Å; F548-K600 HydrophobicContact CE2-CB 4.47Å; F548-K600 HydrophobicContact CE2-CD 4.48Å; F548-K600 HydrophobicContact CZ-CB 4.19Å; F548-L601 HydrophobicContact CE1-CB 4Å; F548-L601 HydrophobicContact CE1-CD1 4.39Å; F548-L601 HydrophobicContact CZ-CB 4.39Å
549N68.4Low65.9Low76 Ų7639 Ų3941%0.40620%0.195SC..Hα-helixtrans-62.8-39.4176.8-74.1-27.4000111.3D545 S546 I547 R552 S553D545-N549 WeakPolarHBondContact O-CB 2.98Å; D545-N549 PolarHBondContact O-N 3.29Å; D545-N549 PolarHBondContact O-ND2 2.92Å; D545-N549 VanDerWaalsContact O-ND2 3.14Å; S546-N549 PolarHBondContact O-N 2.95Å; I547-N549 PolarHBondContact O-N 3.37Å; N549-R552 PolarHBondContact O-N 3.3Å; N549-S553 PolarHBondContact O-N 3.02Å; N549-S553 PolarHBondContact O-OG 3.02Å
550T69.9Low66.2Low5 Ų541.1 Ų41.13%0.03120%0.197CC..Hα-helixtrans-63-46.3174.8-52.70000111.9Q475 V503 C506 S546 I547 F548 R552 S553 A554Q475-T550 PolarHBondContact NE2-OG1 3.35Å; V503-T550 HydrophobicContact CG2-CG2 4.36Å; C506-T550 PolarHBondContact SG-OG1 3.49Å; S546-T550 PolarHBondContact O-N 3Å; S546-T550 VanDerWaalsContact O-N 3.16Å; S546-T550 PolarHBondContact O-OG1 2.87Å; I547-T550 WeakPolarHBondContact O-CB 3.46Å; I547-T550 PolarHBondContact O-N 3.34Å; F548-T550 VanDerWaalsContact C-N 3.3Å; F548-T550 PolarHBondContact O-N 3.34Å; T550-R552 PolarHBondContact O-N 3.23Å; T550-S553 WeakPolarHBondContact CA-OG 3.42Å; T550-S553 PolarHBondContact O-N 3.21Å; T550-S553 PolarHBondContact O-OG 2.93Å; T550-A554 PolarHBondContact O-N 2.81Å
551I70.4Confident66.3Low6 Ų640.2 Ų40.23%0.03119%0.194CC..Hα-helixtrans-60.6-46.5176.6-65.8168.8000110.3I547 F548 S553 A554 F555 F586 I590I547-I551 HydrophobicContact CG2-CD1 4.01Å; I547-I551 WeakPolarHBondContact O-CG1 3.47Å; I547-I551 PolarHBondContact O-N 3.06Å; F548-I551 PolarHBondContact O-N 2.88Å; I551-S553 VanDerWaalsContact C-N 3.33Å; I551-S553 PolarHBondContact O-N 3.34Å; I551-A554 WeakPolarHBondContact O-CB 3.3Å; I551-A554 PolarHBondContact O-N 3.02Å; I551-A554 VanDerWaalsContact O-N 3.11Å; I551-F555 HydrophobicContact CG2-CD2 3.77Å; I551-F555 HydrophobicContact CG2-CE2 3.75Å; I551-F555 WeakPolarHBondContact O-CD2 3.5Å; I551-F555 PolarHBondContact O-N 2.97Å; I551-F586 HydrophobicContact CD1-CE1 4.35Å; I551-I590 HydrophobicContact CD1-CD1 3.45Å; I551-I590 VanDerWaalsContact CD1-CD1 3.45Å
552R69.7Low66.1Low109 Ų10940.3 Ų40.341%0.41120%0.195SC..Hα-helixtrans-60.9-41.1178.1-176.3-179-76.7156.5-7.8111.9F548 N549 T550 A554 R556 F604F548-R552 WeakPolarHBondContact O-CB 3.48Å; F548-R552 PolarHBondContact O-N 3.15Å; N549-R552 PolarHBondContact O-N 3.3Å; T550-R552 PolarHBondContact O-N 3.23Å; R552-A554 VanDerWaalsContact C-N 3.33Å; R552-R556 WeakPolarHBondContact O-CB 3.35Å; R552-R556 WeakPolarHBondContact O-CG 3.28Å; R552-R556 PolarHBondContact O-N 3.29Å; R552-R556 VanDerWaalsContact O-N 3.1Å; R552-F604 HydrophobicContact CG-CE2 4.35Å
553S65.7Low65.4Low21 Ų2141.9 Ų41.915%0.14721%0.206CC..Hα-helixtrans-64.2-37.4174.455.20000112.4N549 T550 I551 W557N549-S553 PolarHBondContact O-N 3.02Å; N549-S553 PolarHBondContact O-OG 3.02Å; T550-S553 WeakPolarHBondContact CA-OG 3.42Å; T550-S553 PolarHBondContact O-N 3.21Å; T550-S553 PolarHBondContact O-OG 2.93Å; I551-S553 VanDerWaalsContact C-N 3.33Å; I551-S553 PolarHBondContact O-N 3.34Å; S553-W557 VanDerWaalsContact O-CB 3.29Å; S553-W557 WeakPolarHBondContact O-CB 3.5Å; S553-W557 PolarHBondContact O-N 3.15Å
554A69.5Low64.6Low0 Ų043.5 Ų43.50%022%0.22CC..Hα-helixtrans-67-46.5177.800000112.3I499 V503 T550 I551 R552 W557 L558 L583I499-A554 HydrophobicContact CG2-CB 4.19Å; V503-A554 HydrophobicContact CG2-CB 4.17Å; T550-A554 PolarHBondContact O-N 2.81Å; I551-A554 WeakPolarHBondContact O-CB 3.3Å; I551-A554 PolarHBondContact O-N 3.02Å; I551-A554 VanDerWaalsContact O-N 3.11Å; R552-A554 VanDerWaalsContact C-N 3.33Å; A554-W557 PolarHBondContact O-N 2.89Å; A554-L558 WeakPolarHBondContact O-CG 3.33Å; A554-L558 PolarHBondContact O-N 3.47Å; A554-L583 HydrophobicContact CB-CD1 4.34Å
555F65.9Low63.8Low2 Ų246 Ų461%0.00923%0.233CC..Hα-helixtrans-59.9-47174.9-89.1-99.9000112I551 W557 L558 D559 I587 F604 Y608 F625 I629I551-F555 HydrophobicContact CG2-CD2 3.77Å; I551-F555 HydrophobicContact CG2-CE2 3.75Å; I551-F555 WeakPolarHBondContact O-CD2 3.5Å; I551-F555 PolarHBondContact O-N 2.97Å; F555-W557 VanDerWaalsContact C-N 3.27Å; F555-W557 PolarHBondContact O-N 3.04Å; F555-L558 PolarHBondContact O-N 3.14Å; F555-D559 PolarHBondContact O-N 3.17Å; F555-I587 HydrophobicContact CE2-CD1 3.69Å; F555-I587 HydrophobicContact CZ-CD1 3.86Å; F555-F604 HydrophobicContact CB-CE1 4.48Å; F555-F604 HydrophobicContact CB-CZ 3.76Å; F555-F604 HydrophobicContact CD1-CE1 4.05Å; F555-F604 AromaticContact CD1-CZ 3.99Å; F555-F604 HydrophobicContact CD1-CZ 3.99Å; F555-F604 AromaticContact CD2-CE1 3.92Å; F555-F604 HydrophobicContact CD2-CE1 3.92Å; F555-F604 HydrophobicContact CD2-CZ 4.02Å; F555-F604 HydrophobicContact CE1-CE1 4.21Å; F555-F604 HydrophobicContact CE2-CE1 4.08Å; F555-F604 AromaticContact CG-CE1 3.9Å; F555-F604 HydrophobicContact CG-CE1 3.9Å; F555-F604 AromaticContact CG-CZ 3.66Å; F555-F604 HydrophobicContact CG-CZ 3.66Å; F555-F604 HydrophobicContact CZ-CE1 4.23Å; F555-Y608 HydrophobicContact CD1-CE1 4.37Å; F555-Y608 HydrophobicContact CD1-CE2 4.05Å; F555-Y608 AromaticContact CD1-CZ 3.99Å; F555-F625 HydrophobicContact CE1-CD1 4.38Å; F555-F625 AromaticContact CE1-CE1 3.98Å; F555-F625 HydrophobicContact CE1-CE1 3.98Å; F555-F625 AromaticContact CZ-CE1 3.94Å; F555-F625 HydrophobicContact CZ-CE1 3.94Å; F555-I629 HydrophobicContact CE1-CD1 4.49Å; F555-I629 HydrophobicContact CZ-CD1 3.96Å
556R65.8Low62.7Low162 Ų16249.5 Ų49.561%0.61125%0.251SS*.Hα-helixtrans-61.8-35.2177.9-75.3180175.1-177.6-1.6112.7R552 K560R552-R556 WeakPolarHBondContact O-CB 3.35Å; R552-R556 WeakPolarHBondContact O-CG 3.28Å; R552-R556 PolarHBondContact O-N 3.29Å; R552-R556 VanDerWaalsContact O-N 3.1Å; R556-K560 WeakPolarHBondContact O-CB 3.34Å; R556-K560 PolarHBondContact O-N 2.86Å; R556-K560 VanDerWaalsContact O-N 3.13Å
557W64.7Low61.5Low24 Ų2453 Ų539%0.09128%0.276CS..Hα-helixtrans-71.6-42.9176-17886.4000111.8E496 I499 S553 A554 F555 D559 K560 I561 V571 L576 I579E496-W557 HydrophobicContact CB-CH2 4.25Å; E496-W557 HydrophobicContact CB-CZ2 3.75Å; E496-W557 HydrophobicContact CG-CH2 3.84Å; E496-W557 HydrophobicContact CG-CZ2 3.88Å; I499-W557 HydrophobicContact CD1-CB 3.73Å; I499-W557 HydrophobicContact CD1-CD2 3.66Å; I499-W557 HydrophobicContact CD1-CE3 4.47Å; I499-W557 HydrophobicContact CD1-CG 3.29Å; S553-W557 VanDerWaalsContact O-CB 3.29Å; S553-W557 WeakPolarHBondContact O-CB 3.5Å; S553-W557 PolarHBondContact O-N 3.15Å; A554-W557 PolarHBondContact O-N 2.89Å; F555-W557 VanDerWaalsContact C-N 3.27Å; F555-W557 PolarHBondContact O-N 3.04Å; W557-D559 VanDerWaalsContact C-N 3.34Å; W557-D559 PolarHBondContact O-N 2.92Å; W557-K560 PolarHBondContact O-N 3.46Å; W557-I561 HydrophobicContact CD2-CD1 3.45Å; W557-I561 VanDerWaalsContact CD2-CD1 3.45Å; W557-I561 HydrophobicContact CD2-CG1 4.48Å; W557-I561 HydrophobicContact CE3-CD1 3.66Å; W557-I561 HydrophobicContact CG-CD1 4.25Å; W557-I561 HydrophobicContact CH2-CD1 3.29Å; W557-I561 HydrophobicContact CZ2-CD1 3.08Å; W557-I561 HydrophobicContact CZ2-CG1 4.48Å; W557-I561 HydrophobicContact CZ3-CD1 3.57Å; W557-I561 WeakPolarHBondContact O-CG1 3.48Å; W557-I561 PolarHBondContact O-N 3.06Å; W557-V571 HydrophobicContact CH2-CG1 4.14Å; W557-L576 HydrophobicContact CH2-CD2 4.02Å; W557-L576 HydrophobicContact CZ3-CD2 3.71Å; W557-I579 HydrophobicContact CE3-CD1 4.49Å; W557-I579 HydrophobicContact CH2-CD1 3.97Å; W557-I579 HydrophobicContact CZ3-CD1 3.58Å
558L66.2Low60Low14 Ų1458.7 Ų58.77%0.07331%0.307CS..Hα-helixtrans-58.9-42.4174.4-75172.8000112.1A554 F555 I561 S562 L576 I579 R580 L583A554-L558 WeakPolarHBondContact O-CG 3.33Å; A554-L558 PolarHBondContact O-N 3.47Å; F555-L558 PolarHBondContact O-N 3.14Å; L558-I561 PolarHBondContact O-N 3.11Å; L558-S562 WeakPolarHBondContact O-CB 3.36Å; L558-S562 PolarHBondContact O-N 3.19Å; L558-L576 HydrophobicContact CD2-CD2 3.73Å; L558-I579 HydrophobicContact CD1-CG2 4.46Å; L558-R580 HydrophobicContact CD1-CG 4.49Å; L558-L583 HydrophobicContact CD1-CD1 3.86Å
559D58.7Low59Low57 Ų5767.2 Ų67.231%0.30535%0.347SS..Hα-helixtrans-61.5-52.2174.6-75.8-10.7000111.7F555 W557 I561 S562 S563 Y608F555-D559 PolarHBondContact O-N 3.17Å; W557-D559 VanDerWaalsContact C-N 3.34Å; W557-D559 PolarHBondContact O-N 2.92Å; D559-I561 PolarHBondContact O-N 3.44Å; D559-S562 PolarHBondContact O-N 3Å; D559-S562 PolarHBondContact O-OG 2.94Å; D559-S563 PolarHBondContact O-N 3.3Å; D559-Y608 PolarHBondContact OD1-OH 2.88Å; D559-Y608 WeakPolarHBondContact OD2-CE2 3.44Å
560K60.6Low58.1Low93 Ų9369 Ų6940%0.40436%0.356SS..Hα-helixtrans-58.6-39-177.4-162173.8-177.4-176.80110.3L485 R556 W557 S563 T564L485-K560 HydrophobicContact CD1-CD 4.44Å; R556-K560 WeakPolarHBondContact O-CB 3.34Å; R556-K560 PolarHBondContact O-N 2.86Å; R556-K560 VanDerWaalsContact O-N 3.13Å; W557-K560 PolarHBondContact O-N 3.46Å; K560-S563 PolarHBondContact O-N 2.88Å; K560-S563 PolarHBondContact O-OG 2.97Å; K560-T564 WeakPolarHBondContact O-CG2 3.46Å; K560-T564 PolarHBondContact O-N 3.26Å; K560-T564 PolarHBondContact O-OG1 3.29Å; K560-T564 VanDerWaalsContact O-OG1 3.05Å
561I59.1Low57.5Low13 Ų1370.4 Ų70.47%0.06736%0.364CS..Hα-helixtrans-68.1-44.4173.8-72.7170.1000112.5W557 L558 D559 S563 T564 N565 V571 L576W557-I561 HydrophobicContact CD2-CD1 3.45Å; W557-I561 VanDerWaalsContact CD2-CD1 3.45Å; W557-I561 HydrophobicContact CD2-CG1 4.48Å; W557-I561 HydrophobicContact CE3-CD1 3.66Å; W557-I561 HydrophobicContact CG-CD1 4.25Å; W557-I561 HydrophobicContact CH2-CD1 3.29Å; W557-I561 HydrophobicContact CZ2-CD1 3.08Å; W557-I561 HydrophobicContact CZ2-CG1 4.48Å; W557-I561 HydrophobicContact CZ3-CD1 3.57Å; W557-I561 WeakPolarHBondContact O-CG1 3.48Å; W557-I561 PolarHBondContact O-N 3.06Å; L558-I561 PolarHBondContact O-N 3.11Å; D559-I561 PolarHBondContact O-N 3.44Å; I561-S563 PolarHBondContact O-N 3.2Å; I561-T564 WeakPolarHBondContact CA-OG1 3.46Å; I561-T564 PolarHBondContact O-N 3.27Å; I561-T564 VanDerWaalsContact O-N 3.14Å; I561-T564 PolarHBondContact O-OG1 2.96Å; I561-N565 VanDerWaalsContact CG2-ND2 3.28Å; I561-N565 WeakPolarHBondContact CG2-ND2 3.4Å; I561-N565 WeakPolarHBondContact O-CB 3.45Å; I561-N565 VanDerWaalsContact O-CG 3.3Å; I561-N565 PolarHBondContact O-N 3.23Å; I561-V571 HydrophobicContact CD1-CG1 4.37Å; I561-V571 HydrophobicContact CD1-CG2 3.93Å; I561-V571 HydrophobicContact CG1-CG2 4.35Å; I561-V571 HydrophobicContact CG2-CG2 4.4Å; I561-L576 HydrophobicContact CD1-CD2 4.31Å; I561-L576 HydrophobicContact CG2-CD1 4.12Å; I561-L576 HydrophobicContact CG2-CD2 4.23Å
562S56.2Low56.9Low59 Ų5974.1 Ų74.141%0.41338%0.384SS..Hα-helixtrans-59.8-32.1176.575.90000112L558 D559L558-S562 WeakPolarHBondContact O-CB 3.36Å; L558-S562 PolarHBondContact O-N 3.19Å; D559-S562 PolarHBondContact O-N 3Å; D559-S562 PolarHBondContact O-OG 2.94Å
563S52.5Low56.4Low67 Ų6773.1 Ų73.147%0.46939%0.394SS..Hα-helixtrans-76.2-35.3174.678.80000113.4D559 K560 I561D559-S563 PolarHBondContact O-N 3.3Å; K560-S563 PolarHBondContact O-N 2.88Å; K560-S563 PolarHBondContact O-OG 2.97Å; I561-S563 PolarHBondContact O-N 3.2Å
564T50.9Low56.2Low72 Ų7278.8 Ų78.844%0.44242%0.418SS..Hα-helixtrans-85.6-24.6-179.453.30000113.9K560 I561 N566 S567K560-T564 WeakPolarHBondContact O-CG2 3.46Å; K560-T564 PolarHBondContact O-N 3.26Å; K560-T564 PolarHBondContact O-OG1 3.29Å; K560-T564 VanDerWaalsContact O-OG1 3.05Å; I561-T564 WeakPolarHBondContact CA-OG1 3.46Å; I561-T564 PolarHBondContact O-N 3.27Å; I561-T564 VanDerWaalsContact O-N 3.14Å; I561-T564 PolarHBondContact O-OG1 2.96Å; T564-N566 PolarHBondContact O-N 3.34Å; T564-S567 PolarHBondContact O-N 3.04Å; T564-S567 VanDerWaalsContact O-N 3.1Å
565N48Very low55.8Low71 Ų7180.5 Ų80.538%0.3843%0.428SS..THydrogen-bonded Turntrans-67.12.4-177-87.6-2.4000114.5I561 S567I561-N565 VanDerWaalsContact CG2-ND2 3.28Å; I561-N565 WeakPolarHBondContact CG2-ND2 3.4Å; I561-N565 WeakPolarHBondContact O-CB 3.45Å; I561-N565 VanDerWaalsContact O-CG 3.3Å; I561-N565 PolarHBondContact O-N 3.23Å; N565-S567 PolarHBondContact O-N 2.79Å
566N47Very low55.7Low138 Ų13881.7 Ų81.774%0.73844%0.435SS*.THydrogen-bonded Turntrans-69.1-10.4164.8-77.4-20000113.1T564T564-N566 PolarHBondContact O-N 3.34Å
567S43.3Very low55.7Low83 Ų8380.3 Ų80.358%0.5843%0.433SS*.SBendtrans-148107.717459.10000113T564 N565T564-S567 PolarHBondContact O-N 3.04Å; T564-S567 VanDerWaalsContact O-N 3.1Å; N565-S567 PolarHBondContact O-N 2.79Å
568N38.6Very low55.7Low134 Ų13481.3 Ų81.372%0.71744%0.444SS*.  trans82.4127.4170-59.3-20.1000118.2L570N568-L570 VanDerWaalsContact C-N 3.29Å; N568-L570 PolarHBondContact O-N 2.76Å
569Q47.5Very low55.7Low206 Ų20680.7 Ų80.796%0.96344%0.441SS*.  trans-59.671.9176.6-68.8175.6-38.100113.1
570L50.8Low56.1Low112 Ų11282.4 Ų82.459%0.58644%0.443SS*.  trans-92.2-19.5-179.1-77.9161.3000114.1N568N568-L570 VanDerWaalsContact C-N 3.29Å; N568-L570 PolarHBondContact O-N 2.76Å
571V55.4Low56.4Low35 Ų3581.9 Ų81.921%0.21245%0.445CS..SBendtrans-126.2138.7-174.5-1740000110.3E496 W557 I561 S573 L576E496-V571 WeakPolarHBondContact OE1-CG1 3.31Å; W557-V571 HydrophobicContact CH2-CG1 4.14Å; I561-V571 HydrophobicContact CD1-CG1 4.37Å; I561-V571 HydrophobicContact CD1-CG2 3.93Å; I561-V571 HydrophobicContact CG1-CG2 4.35Å; I561-V571 HydrophobicContact CG2-CG2 4.4Å; V571-S573 PolarHBondContact O-N 3.1Å; V571-L576 HydrophobicContact CB-CD1 4.41Å; V571-L576 HydrophobicContact CG1-CD1 4.03Å; V571-L576 HydrophobicContact CG1-CD2 4.18Å; V571-L576 HydrophobicContact CG1-CG 3.81Å
572D58.4Low56.8Low84 Ų8482.5 Ų82.545%0.44945%0.447SS..  trans-69.2123.9178.6-168.1-16.1000110.9E574 V575 L576D572-E574 PolarHBondContact O-N 3.46Å; D572-E574 PolarHBondContact OD1-N 2.78Å; D572-V575 HydrophobicContact CB-CB 4.28Å; D572-V575 HydrophobicContact CB-CG2 3.87Å; D572-V575 PolarHBondContact O-N 2.87Å; D572-L576 PolarHBondContact O-N 3.28Å; D572-L576 VanDerWaalsContact O-N 3.12Å
573S60.2Low57.5Low88 Ų8879.7 Ų79.762%0.61543%0.427SS*.Hα-helixtrans-60.7-29.6178.3660000113V571 K577V571-S573 PolarHBondContact O-N 3.1Å; S573-K577 WeakPolarHBondContact O-CB 3.29Å; S573-K577 PolarHBondContact O-N 3.48Å
574E60.6Low58.2Low140 Ų14079.7 Ų79.765%0.65442%0.422SS*.Hα-helixtrans-71.7-36.6178.5-67.4-169.2167.700111.5D572 K577 S578D572-E574 PolarHBondContact O-N 3.46Å; D572-E574 PolarHBondContact OD1-N 2.78Å; E574-K577 PolarHBondContact O-N 2.91Å; E574-S578 WeakPolarHBondContact O-CB 3.07Å; E574-S578 PolarHBondContact O-N 3.32Å; E574-S578 PolarHBondContact O-OG 3.42Å
575V61.1Low59Low36 Ų3678.3 Ų78.322%0.21842%0.415CS..Hα-helixtrans-71.1-41.4176.7-178.70000110.5E496 D572 K577 S578 I579E496-V575 HydrophobicContact CG-CG1 3.93Å; E496-V575 WeakPolarHBondContact OE1-CB 3.5Å; E496-V575 WeakPolarHBondContact OE1-CG1 3.46Å; D572-V575 HydrophobicContact CB-CB 4.28Å; D572-V575 HydrophobicContact CB-CG2 3.87Å; D572-V575 PolarHBondContact O-N 2.87Å; V575-K577 VanDerWaalsContact C-N 3.32Å; V575-K577 PolarHBondContact O-N 2.83Å; V575-S578 WeakPolarHBondContact O-CB 3.21Å; V575-S578 PolarHBondContact O-N 2.83Å; V575-S578 VanDerWaalsContact O-N 3.16Å; V575-I579 HydrophobicContact CG1-CD1 3.97Å; V575-I579 HydrophobicContact CG1-CG1 4.39Å; V575-I579 WeakPolarHBondContact O-CG1 3.31Å; V575-I579 PolarHBondContact O-N 2.86Å
576L63.8Low60Low27 Ų2775 Ų7514%0.14140%0.398CS..Hα-helixtrans-58.6-43.8173-76.2172.1000112.2W557 L558 I561 V571 D572 R580W557-L576 HydrophobicContact CH2-CD2 4.02Å; W557-L576 HydrophobicContact CZ3-CD2 3.71Å; L558-L576 HydrophobicContact CD2-CD2 3.73Å; I561-L576 HydrophobicContact CD1-CD2 4.31Å; I561-L576 HydrophobicContact CG2-CD1 4.12Å; I561-L576 HydrophobicContact CG2-CD2 4.23Å; V571-L576 HydrophobicContact CB-CD1 4.41Å; V571-L576 HydrophobicContact CG1-CD1 4.03Å; V571-L576 HydrophobicContact CG1-CD2 4.18Å; V571-L576 HydrophobicContact CG1-CG 3.81Å; D572-L576 PolarHBondContact O-N 3.28Å; D572-L576 VanDerWaalsContact O-N 3.12Å; L576-R580 WeakPolarHBondContact O-CG 3.45Å; L576-R580 PolarHBondContact O-N 3.39Å
577K65.3Low61.1Low133 Ų13368.5 Ų68.558%0.57836%0.363SS*.Hα-helixtrans-63.8-43.9174.9-173179.1176.5-176.40111S573 E574 V575 I579 R580 D581S573-K577 WeakPolarHBondContact O-CB 3.29Å; S573-K577 PolarHBondContact O-N 3.48Å; E574-K577 PolarHBondContact O-N 2.91Å; V575-K577 VanDerWaalsContact C-N 3.32Å; V575-K577 PolarHBondContact O-N 2.83Å; K577-I579 PolarHBondContact O-N 3.49Å; K577-R580 WeakPolarHBondContact O-CB 3.41Å; K577-R580 PolarHBondContact O-N 3.02Å; K577-R580 VanDerWaalsContact O-N 3.17Å; K577-D581 WeakPolarHBondContact O-CB 3.14Å; K577-D581 VanDerWaalsContact O-CG 3.23Å; K577-D581 PolarHBondContact O-N 3.46Å
578S65.9Low62.1Low46 Ų4665.6 Ų65.632%0.32234%0.342SS..Hα-helixtrans-60.9-43.6177.9-59.10000111.9E574 V575 R580 D581 E582E574-S578 WeakPolarHBondContact O-CB 3.07Å; E574-S578 PolarHBondContact O-N 3.32Å; E574-S578 PolarHBondContact O-OG 3.42Å; V575-S578 WeakPolarHBondContact O-CB 3.21Å; V575-S578 PolarHBondContact O-N 2.83Å; V575-S578 VanDerWaalsContact O-N 3.16Å; S578-R580 PolarHBondContact O-N 3.2Å; S578-D581 PolarHBondContact O-N 3.34Å; S578-E582 WeakPolarHBondContact O-CB 3.5Å; S578-E582 PolarHBondContact O-N 3.35Å
579I65.7Low63.3Low0 Ų061.7 Ų61.70%032%0.32CS..Hα-helixtrans-63.1-42.6174.9-66.2165.5000110.8Y500 W557 L558 V575 K577 E582 L583Y500-I579 HydrophobicContact CD2-CG1 3.64Å; Y500-I579 HydrophobicContact CE2-CG1 4.41Å; Y500-I579 HydrophobicContact CG-CG1 4.1Å; W557-I579 HydrophobicContact CE3-CD1 4.49Å; W557-I579 HydrophobicContact CH2-CD1 3.97Å; W557-I579 HydrophobicContact CZ3-CD1 3.58Å; L558-I579 HydrophobicContact CD1-CG2 4.46Å; V575-I579 HydrophobicContact CG1-CD1 3.97Å; V575-I579 HydrophobicContact CG1-CG1 4.39Å; V575-I579 WeakPolarHBondContact O-CG1 3.31Å; V575-I579 PolarHBondContact O-N 2.86Å; K577-I579 PolarHBondContact O-N 3.49Å; I579-E582 PolarHBondContact O-N 3.43Å; I579-L583 HydrophobicContact CG2-CD1 4.02Å; I579-L583 HydrophobicContact CG2-CG 4.45Å; I579-L583 WeakPolarHBondContact O-CB 3.28Å; I579-L583 VanDerWaalsContact O-CG 3.28Å; I579-L583 WeakPolarHBondContact O-CG 3.5Å; I579-L583 PolarHBondContact O-N 3.45Å
580R67.3Low64.1Low94 Ų9452.3 Ų52.336%0.35528%0.277SS..Hα-helixtrans-63.8-46.5177.4-79-179.9174.8-170.6-2112.2L558 L576 K577 S578 E582 L583 L584 F625L558-R580 HydrophobicContact CD1-CG 4.49Å; L576-R580 WeakPolarHBondContact O-CG 3.45Å; L576-R580 PolarHBondContact O-N 3.39Å; K577-R580 WeakPolarHBondContact O-CB 3.41Å; K577-R580 PolarHBondContact O-N 3.02Å; K577-R580 VanDerWaalsContact O-N 3.17Å; S578-R580 PolarHBondContact O-N 3.2Å; R580-E582 VanDerWaalsContact C-N 3.32Å; R580-L583 PolarHBondContact O-N 3.11Å; R580-L584 WeakPolarHBondContact O-CB 3.15Å; R580-L584 WeakPolarHBondContact O-CG 3.34Å; R580-L584 PolarHBondContact O-N 3.25Å; R580-F625 HydrophobicContact CB-CD2 4.48Å; R580-F625 HydrophobicContact CB-CE2 3.86Å; R580-F625 HydrophobicContact CB-CZ 4.49Å; R580-F625 HydrophobicContact CG-CD2 4.3Å; R580-F625 HydrophobicContact CG-CE2 3.93Å; R580-F625 HydrophobicContact CG-CZ 4.37Å
581D66.9Low64.7Low82 Ų8247.9 Ų47.944%0.43925%0.252SS..Hα-helixtrans-64.3-40.8178.5-68.2-12.9000110.1K577 S578 L584 S585K577-D581 WeakPolarHBondContact O-CB 3.14Å; K577-D581 VanDerWaalsContact O-CG 3.23Å; K577-D581 PolarHBondContact O-N 3.46Å; S578-D581 PolarHBondContact O-N 3.34Å; D581-L584 PolarHBondContact O-N 3.03Å; D581-S585 WeakPolarHBondContact O-CB 3.36Å; D581-S585 PolarHBondContact O-N 3.31Å; D581-S585 PolarHBondContact O-OG 2.79Å
582E67.5Low64.9Low25 Ų2554 Ų5412%0.11728%0.276CS..Hα-helixtrans-62.9-44.9175.8-164.965.3-163.600111.2V503 R507 S578 I579 R580 S585 F586V503-E582 HydrophobicContact CG1-CB 4.48Å; V503-E582 HydrophobicContact CG1-CG 3.82Å; R507-E582 WeakPolarHBondContact CD-OE1 3.15Å; R507-E582 IonicContact CZ-OE1 2.58Å; R507-E582 IonicContact NE-OE1 3.73Å; R507-E582 IonicContact NH1-OE1 3.34Å; R507-E582 PolarHBondContact NH1-OE1 3.37Å; R507-E582 IonicContact NH1-OE2 3.94Å; R507-E582 PolarHBondContact NH1-OE2 2.75Å; R507-E582 VanDerWaalsContact NH1-OE2 3.07Å; S578-E582 WeakPolarHBondContact O-CB 3.5Å; S578-E582 PolarHBondContact O-N 3.35Å; I579-E582 PolarHBondContact O-N 3.43Å; R580-E582 VanDerWaalsContact C-N 3.32Å; E582-S585 PolarHBondContact O-N 3.01Å; E582-S585 PolarHBondContact O-OG 3.06Å; E582-F586 VanDerWaalsContact O-CB 3.24Å; E582-F586 WeakPolarHBondContact O-CB 3.45Å; E582-F586 PolarHBondContact O-N 2.86Å
583L70Confident65Low0 Ų052 Ų520%027%0.268CS..Hα-helixtrans-65.7-43174.9-73.8172.3000112.7V503 A554 L558 I579 R580 S585 F586 I587 F625V503-L583 HydrophobicContact CG1-CD2 4.33Å; A554-L583 HydrophobicContact CB-CD1 4.34Å; L558-L583 HydrophobicContact CD1-CD1 3.86Å; I579-L583 HydrophobicContact CG2-CD1 4.02Å; I579-L583 HydrophobicContact CG2-CG 4.45Å; I579-L583 WeakPolarHBondContact O-CB 3.28Å; I579-L583 VanDerWaalsContact O-CG 3.28Å; I579-L583 WeakPolarHBondContact O-CG 3.5Å; I579-L583 PolarHBondContact O-N 3.45Å; R580-L583 PolarHBondContact O-N 3.11Å; L583-S585 PolarHBondContact O-N 2.89Å; L583-F586 PolarHBondContact O-N 3.48Å; L583-I587 HydrophobicContact CB-CD1 4.16Å; L583-I587 HydrophobicContact CD2-CD1 4.37Å; L583-I587 WeakPolarHBondContact O-CB 3.35Å; L583-I587 VanDerWaalsContact O-CG1 3.28Å; L583-I587 WeakPolarHBondContact O-CG1 3.47Å; L583-I587 PolarHBondContact O-N 3.08Å; L583-F625 HydrophobicContact CB-CZ 4.16Å
584L67.5Low64.6Low68 Ų6849.1 Ų49.136%0.35625%0.248SC..Hα-helixtrans-63-30175.7-79.3165.9000112R580 D581 P588 F625 I629R580-L584 WeakPolarHBondContact O-CB 3.15Å; R580-L584 WeakPolarHBondContact O-CG 3.34Å; R580-L584 PolarHBondContact O-N 3.25Å; D581-L584 PolarHBondContact O-N 3.03Å; L584-P588 WeakPolarHBondContact O-CD 3.43Å; L584-P588 WeakPolarHBondContact O-CG 3.17Å; L584-F625 HydrophobicContact CD1-CD2 4.04Å; L584-F625 HydrophobicContact CD1-CE2 3.65Å; L584-F625 HydrophobicContact CD2-CD2 4.33Å; L584-F625 HydrophobicContact CD2-CE2 3.94Å; L584-F625 HydrophobicContact CG-CD2 4.18Å; L584-F625 HydrophobicContact CG-CE2 3.46Å; L584-F625 VanDerWaalsContact CG-CE2 3.46Å; L584-F625 HydrophobicContact CG-CZ 4.15Å; L584-I629 HydrophobicContact CD2-CD1 4.37Å; L584-I629 HydrophobicContact CD2-CG1 3.67Å
585S68.1Low64.3Low43 Ų4348.9 Ų48.930%0.30125%0.251SS..Hα-helixtrans-79.8-35.617476.20000112.6R507 D581 E582 L583 I589R507-S585 PolarHBondContact NH1-OG 3.44Å; D581-S585 WeakPolarHBondContact O-CB 3.36Å; D581-S585 PolarHBondContact O-N 3.31Å; D581-S585 PolarHBondContact O-OG 2.79Å; E582-S585 PolarHBondContact O-N 3.01Å; E582-S585 PolarHBondContact O-OG 3.06Å; L583-S585 PolarHBondContact O-N 2.89Å; S585-I589 VanDerWaalsContact O-CD1 3.29Å; S585-I589 WeakPolarHBondContact O-CD1 3.42Å; S585-I589 WeakPolarHBondContact O-CG1 3.44Å
586F68.4Low63.9Low2 Ų251.6 Ų51.61%0.00926%0.264CS..Hα-helixtrans-86.7-42.4-171.9-177-135.1000114.2C506 R507 Y510 I547 I551 E582 L583 I589 I590C506-F586 HydrophobicContact CB-CE1 4.33Å; R507-F586 HydrophobicContact CB-CD2 3.98Å; R507-F586 HydrophobicContact CB-CE2 3.99Å; R507-F586 HydrophobicContact CB-CG 4.33Å; R507-F586 HydrophobicContact CB-CZ 4.31Å; R507-F586 HydrophobicContact CG-CD2 3.82Å; R507-F586 HydrophobicContact CG-CE2 4.11Å; R507-F586 HydrophobicContact CG-CG 4.42Å; Y510-F586 HydrophobicContact CD1-CE2 4.2Å; Y510-F586 HydrophobicContact CG-CE2 4.16Å; I547-F586 HydrophobicContact CG2-CE1 4.08Å; I547-F586 HydrophobicContact CG2-CZ 4.07Å; I551-F586 HydrophobicContact CD1-CE1 4.35Å; E582-F586 VanDerWaalsContact O-CB 3.24Å; E582-F586 WeakPolarHBondContact O-CB 3.45Å; E582-F586 PolarHBondContact O-N 2.86Å; L583-F586 PolarHBondContact O-N 3.48Å; F586-I589 WeakPolarHBondContact O-CB 3.08Å; F586-I589 PolarHBondContact O-N 3.39Å; F586-I590 HydrophobicContact CD1-CD1 3.76Å; F586-I590 HydrophobicContact CD2-CD1 4.23Å; F586-I590 HydrophobicContact CD2-CG1 4.29Å; F586-I590 HydrophobicContact CE1-CD1 3.44Å; F586-I590 VanDerWaalsContact CE1-CD1 3.44Å; F586-I590 HydrophobicContact CE1-CG1 4.32Å; F586-I590 HydrophobicContact CE2-CD1 3.93Å; F586-I590 HydrophobicContact CE2-CG1 3.91Å; F586-I590 HydrophobicContact CG-CD1 4.15Å; F586-I590 HydrophobicContact CZ-CD1 3.54Å; F586-I590 HydrophobicContact CZ-CG1 3.93Å; F586-I590 PolarHBondContact O-N 3.32Å; F586-I590 VanDerWaalsContact O-N 3.15Å
587I70Confident63.5Low1 Ų150.6 Ų50.61%0.00526%0.259CS..Hα-helixtrans-59.2-44.8-177.4-66.2168.6000111.9F555 L583 I589 I590 Y591 L601 I629F555-I587 HydrophobicContact CE2-CD1 3.69Å; F555-I587 HydrophobicContact CZ-CD1 3.86Å; L583-I587 HydrophobicContact CB-CD1 4.16Å; L583-I587 HydrophobicContact CD2-CD1 4.37Å; L583-I587 WeakPolarHBondContact O-CB 3.35Å; L583-I587 VanDerWaalsContact O-CG1 3.28Å; L583-I587 WeakPolarHBondContact O-CG1 3.47Å; L583-I587 PolarHBondContact O-N 3.08Å; I587-I589 PolarHBondContact O-N 2.93Å; I587-I590 PolarHBondContact O-N 3.26Å; I587-Y591 PolarHBondContact O-N 3.46Å; I587-L601 HydrophobicContact CG2-CD1 4.48Å; I587-L601 HydrophobicContact CG2-CD2 3.81Å; I587-I629 HydrophobicContact CD1-CD1 4.11Å
588P64.6Low63.2Low21 Ų2145.1 Ų45.114%0.13624%0.237CC..Hα-helixtrans-55-33.7171.6-3543000115.5L584 Y591 K592 Y632L584-P588 WeakPolarHBondContact O-CD 3.43Å; L584-P588 WeakPolarHBondContact O-CG 3.17Å; P588-Y591 PolarHBondContact O-N 3.35Å; P588-K592 PolarHBondContact O-N 3.21Å; P588-Y632 HydrophobicContact CB-CD1 4.16Å; P588-Y632 HydrophobicContact CB-CE1 3.47Å; P588-Y632 VanDerWaalsContact CB-CE1 3.47Å; P588-Y632 HydrophobicContact CG-CD1 3.96Å; P588-Y632 HydrophobicContact CG-CE1 3.76Å
589I64.8Low63.1Low53 Ų5352 Ų5227%0.27226%0.256SS..Hα-helixtrans-71.7-41.9179.8-60.8171.1000109.8Y510 S585 F586 I587 Y591 K592Y510-I589 HydrophobicContact CD1-CG2 4.42Å; Y510-I589 HydrophobicContact CE1-CG2 3.66Å; S585-I589 VanDerWaalsContact O-CD1 3.29Å; S585-I589 WeakPolarHBondContact O-CD1 3.42Å; S585-I589 WeakPolarHBondContact O-CG1 3.44Å; F586-I589 WeakPolarHBondContact O-CB 3.08Å; F586-I589 PolarHBondContact O-N 3.39Å; I587-I589 PolarHBondContact O-N 2.93Å; I589-Y591 VanDerWaalsContact C-N 3.29Å; I589-Y591 PolarHBondContact O-N 3.48Å; I589-K592 PolarHBondContact O-N 3.35Å
590I64.8Low63.2Low8 Ų856.1 Ų56.14%0.04127%0.274CS..Hα-helixtrans-63.4-37.4174.5-63.6162.4000111I547 I551 F586 I587 K592 S593 S597I547-I590 HydrophobicContact CG2-CD1 4.14Å; I551-I590 HydrophobicContact CD1-CD1 3.45Å; I551-I590 VanDerWaalsContact CD1-CD1 3.45Å; F586-I590 HydrophobicContact CD1-CD1 3.76Å; F586-I590 HydrophobicContact CD2-CD1 4.23Å; F586-I590 HydrophobicContact CD2-CG1 4.29Å; F586-I590 HydrophobicContact CE1-CD1 3.44Å; F586-I590 VanDerWaalsContact CE1-CD1 3.44Å; F586-I590 HydrophobicContact CE1-CG1 4.32Å; F586-I590 HydrophobicContact CE2-CD1 3.93Å; F586-I590 HydrophobicContact CE2-CG1 3.91Å; F586-I590 HydrophobicContact CG-CD1 4.15Å; F586-I590 HydrophobicContact CZ-CD1 3.54Å; F586-I590 HydrophobicContact CZ-CG1 3.93Å; F586-I590 PolarHBondContact O-N 3.32Å; F586-I590 VanDerWaalsContact O-N 3.15Å; I587-I590 PolarHBondContact O-N 3.26Å; I590-K592 PolarHBondContact O-N 3.31Å; I590-S593 PolarHBondContact O-N 3.46Å; I590-S593 PolarHBondContact O-OG 2.79Å; I590-S593 VanDerWaalsContact O-OG 3.06Å; I590-S597 PolarHBondContact O-OG 3.45Å
591Y61.5Low63.2Low20 Ų2051.8 Ų51.88%0.07826%0.258CS..Hα-helixtrans-65.7-26.8178-148.3-85.5000112.6I587 P588 I589 T598 L601 D602 C633 K636 N637I587-Y591 PolarHBondContact O-N 3.46Å; P588-Y591 PolarHBondContact O-N 3.35Å; I589-Y591 VanDerWaalsContact C-N 3.29Å; I589-Y591 PolarHBondContact O-N 3.48Å; Y591-T598 HydrophobicContact CD1-CG2 3.78Å; Y591-T598 HydrophobicContact CD2-CG2 4.01Å; Y591-T598 HydrophobicContact CE1-CG2 3.83Å; Y591-T598 HydrophobicContact CE2-CG2 4.03Å; Y591-T598 HydrophobicContact CG-CG2 3.87Å; Y591-T598 WeakPolarHBondContact O-CG2 3.49Å; Y591-L601 HydrophobicContact CD2-CD2 3.69Å; Y591-L601 HydrophobicContact CD2-CG 4.5Å; Y591-L601 HydrophobicContact CE2-CD2 4.33Å; Y591-D602 VanDerWaalsContact CE2-OD1 3.23Å; Y591-D602 WeakPolarHBondContact CE2-OD1 3.33Å; Y591-D602 VanDerWaalsContact OH-CG 3.3Å; Y591-D602 PolarHBondContact OH-OD1 2.65Å; Y591-D602 PolarHBondContact OH-OD2 2.88Å; Y591-C633 HydrophobicContact CE2-CB 4.44Å; Y591-K636 HydrophobicContact CD1-CB 4.32Å; Y591-K636 HydrophobicContact CD1-CD 4.36Å; Y591-K636 HydrophobicContact CE1-CB 4.13Å; Y591-N637 HydrophobicContact CE1-CB 4.44Å; Y591-N637 WeakPolarHBondContact OH-CB 3.35Å; Y591-N637 PolarHBondContact OH-ND2 2.74Å; Y591-N637 VanDerWaalsContact OH-ND2 3.13Å
592K60.1Low63.3Low162 Ų16249.1 Ų49.170%0.70424%0.244SC*.THydrogen-bonded Turntrans-78.9-16.2179.3-81.7-171.8175.9-173.40114.2P588 I589 I590P588-K592 PolarHBondContact O-N 3.21Å; I589-K592 PolarHBondContact O-N 3.35Å; I590-K592 PolarHBondContact O-N 3.31Å
593S59.9Low63.5Low42 Ų4254.1 Ų54.129%0.29427%0.267SS..THydrogen-bonded Turntrans-107.4-23.1-159.956.90000117.5Y510 I590Y510-S593 WeakPolarHBondContact OH-CB 3.32Å; Y510-S593 PolarHBondContact OH-OG 3.01Å; I590-S593 PolarHBondContact O-N 3.46Å; I590-S593 PolarHBondContact O-OG 2.79Å; I590-S593 VanDerWaalsContact O-OG 3.06Å
594C53.1Low63.5Low29 Ų2955.8 Ų55.820%0.19627%0.274CS..  trans-153.8139.1-175.6-820000113.6Y540 L596 S597 T598Y540-C594 PolarHBondContact OH-SG 3.13Å; C594-L596 PolarHBondContact O-N 3.42Å; C594-S597 VanDerWaalsContact CB-OG 3.3Å; C594-S597 WeakPolarHBondContact CB-OG 2.82Å; C594-S597 PolarHBondContact O-N 3.06Å; C594-S597 PolarHBondContact O-OG 3.36Å; C594-T598 PolarHBondContact O-N 3.48Å; C594-T598 PolarHBondContact O-OG1 3.2Å
595D53.2Low63.5Low134 Ų13452.5 Ų52.572%0.71726%0.257SS*.Hα-helixtrans-69.8-29.1175.7-74.6-19.2000114T598 R599D595-T598 WeakPolarHBondContact CA-OG1 3.23Å; D595-T598 PolarHBondContact O-OG1 2.77Å; D595-R599 PolarHBondContact O-N 2.76Å
596L52.6Low63.5Low93 Ų9352.1 Ų52.149%0.48725%0.25SS..Hα-helixtrans-75.2-32.4179.1-158.279.9000111.5C594C594-L596 PolarHBondContact O-N 3.42Å
597S56Low63.5Low6 Ų655.2 Ų55.24%0.04227%0.267CS..Hα-helixtrans-73-41.4176.357.70000111.1F548 I590 C594 R599 K600 L601F548-S597 VanDerWaalsContact CZ-O 3.26Å; F548-S597 WeakPolarHBondContact CZ-O 3.31Å; I590-S597 PolarHBondContact O-OG 3.45Å; C594-S597 VanDerWaalsContact CB-OG 3.3Å; C594-S597 WeakPolarHBondContact CB-OG 2.82Å; C594-S597 PolarHBondContact O-N 3.06Å; C594-S597 PolarHBondContact O-OG 3.36Å; S597-R599 PolarHBondContact O-N 3.18Å; S597-K600 PolarHBondContact O-N 2.71Å; S597-L601 VanDerWaalsContact O-CB 3.22Å; S597-L601 WeakPolarHBondContact O-CB 2.98Å; S597-L601 PolarHBondContact O-N 2.84Å
598T60.3Low63.3Low19 Ų1956.6 Ų56.612%0.11727%0.272CS..Hα-helixtrans-60-44.7178.847.40000112.4Y591 C594 D595 K600 L601 D602Y591-T598 HydrophobicContact CD1-CG2 3.78Å; Y591-T598 HydrophobicContact CD2-CG2 4.01Å; Y591-T598 HydrophobicContact CE1-CG2 3.83Å; Y591-T598 HydrophobicContact CE2-CG2 4.03Å; Y591-T598 HydrophobicContact CG-CG2 3.87Å; Y591-T598 WeakPolarHBondContact O-CG2 3.49Å; C594-T598 PolarHBondContact O-N 3.48Å; C594-T598 PolarHBondContact O-OG1 3.2Å; D595-T598 WeakPolarHBondContact CA-OG1 3.23Å; D595-T598 PolarHBondContact O-OG1 2.77Å; T598-K600 PolarHBondContact O-N 3.06Å; T598-L601 PolarHBondContact O-N 2.92Å; T598-D602 WeakPolarHBondContact O-CB 2.79Å; T598-D602 PolarHBondContact O-N 3.45Å
599R63.7Low63.3Low190 Ų19056.4 Ų56.472%0.71727%0.27SS*.Hα-helixtrans-63-45178.3-69.5-176.7-174.9177.53.5113.8D595 S597 L601 Q603D595-R599 PolarHBondContact O-N 2.76Å; S597-R599 PolarHBondContact O-N 3.18Å; R599-L601 VanDerWaalsContact C-N 3.29Å; R599-L601 PolarHBondContact O-N 3.32Å; R599-Q603 PolarHBondContact O-N 3.1Å; R599-Q603 VanDerWaalsContact O-N 3.14Å
600K66.7Low63.3Low87 Ų8758.9 Ų58.938%0.37828%0.279SS..Hα-helixtrans-63.6-37.9176.8-79.2-177.3174.4175.30111D545 F548 S597 T598 F604D545-K600 IonicContact OD1-NZ 3.71Å; D545-K600 PolarHBondContact OD1-NZ 3.25Å; F548-K600 HydrophobicContact CD2-CD 4.46Å; F548-K600 HydrophobicContact CE1-CB 4.33Å; F548-K600 HydrophobicContact CE2-CB 4.47Å; F548-K600 HydrophobicContact CE2-CD 4.48Å; F548-K600 HydrophobicContact CZ-CB 4.19Å; S597-K600 PolarHBondContact O-N 2.71Å; T598-K600 PolarHBondContact O-N 3.06Å; K600-F604 WeakPolarHBondContact O-CB 3.37Å; K600-F604 PolarHBondContact O-N 3.45Å; K600-F604 VanDerWaalsContact O-N 3.13Å
601L67.8Low63.1Low2 Ų263.6 Ų63.61%0.0130%0.304CS..Hα-helixtrans-72.4-43.1179-173.557.3000112.3F548 I587 Y591 S597 T598 R599 Q603 F604 L605F548-L601 HydrophobicContact CE1-CB 4Å; F548-L601 HydrophobicContact CE1-CD1 4.39Å; F548-L601 HydrophobicContact CZ-CB 4.39Å; I587-L601 HydrophobicContact CG2-CD1 4.48Å; I587-L601 HydrophobicContact CG2-CD2 3.81Å; Y591-L601 HydrophobicContact CD2-CD2 3.69Å; Y591-L601 HydrophobicContact CD2-CG 4.5Å; Y591-L601 HydrophobicContact CE2-CD2 4.33Å; S597-L601 VanDerWaalsContact O-CB 3.22Å; S597-L601 WeakPolarHBondContact O-CB 2.98Å; S597-L601 PolarHBondContact O-N 2.84Å; T598-L601 PolarHBondContact O-N 2.92Å; R599-L601 VanDerWaalsContact C-N 3.29Å; R599-L601 PolarHBondContact O-N 3.32Å; L601-Q603 VanDerWaalsContact C-N 3.34Å; L601-Q603 PolarHBondContact O-N 3.43Å; L601-F604 HydrophobicContact CD1-CD1 4.25Å; L601-F604 WeakPolarHBondContact O-CB 3.42Å; L601-F604 PolarHBondContact O-N 3.4Å; L601-L605 HydrophobicContact CD1-CD1 4.35Å; L601-L605 HydrophobicContact CD1-CG 4.2Å; L601-L605 HydrophobicContact CG-CD1 4.08Å; L601-L605 HydrophobicContact CG-CG 4.37Å; L601-L605 WeakPolarHBondContact O-CB 3.36Å; L601-L605 WeakPolarHBondContact O-CG 3.3Å; L601-L605 PolarHBondContact O-N 3Å
602D68.2Low62.7Low27 Ų2764.1 Ų64.114%0.14431%0.31CS..Hα-helixtrans-58.5-46.2176-74.5-17.6000111.2Y591 T598 L605 F606 N637Y591-D602 VanDerWaalsContact CE2-OD1 3.23Å; Y591-D602 WeakPolarHBondContact CE2-OD1 3.33Å; Y591-D602 VanDerWaalsContact OH-CG 3.3Å; Y591-D602 PolarHBondContact OH-OD1 2.65Å; Y591-D602 PolarHBondContact OH-OD2 2.88Å; T598-D602 WeakPolarHBondContact O-CB 2.79Å; T598-D602 PolarHBondContact O-N 3.45Å; D602-L605 PolarHBondContact O-N 3.49Å; D602-F606 WeakPolarHBondContact O-CB 3.36Å; D602-F606 PolarHBondContact O-N 2.83Å; D602-N637 PolarHBondContact OD2-ND2 3.31Å
603Q71.3Confident62.3Low129 Ų12959 Ų5960%0.60329%0.289SS*.Hα-helixtrans-61.4-46.1176.1-175.1173.42.400110.8R599 L601 F606 D607R599-Q603 PolarHBondContact O-N 3.1Å; R599-Q603 VanDerWaalsContact O-N 3.14Å; L601-Q603 VanDerWaalsContact C-N 3.34Å; L601-Q603 PolarHBondContact O-N 3.43Å; Q603-F606 PolarHBondContact O-N 3.03Å; Q603-D607 WeakPolarHBondContact CG-OD2 3.36Å; Q603-D607 VanDerWaalsContact O-CB 3.25Å; Q603-D607 WeakPolarHBondContact O-CB 3.34Å; Q603-D607 PolarHBondContact O-N 2.73Å
604F70Confident61.4Low35 Ų3567.7 Ų67.715%0.15432%0.315CS..Hα-helixtrans-59.9-48.3176.5171.3-103.3000112.8R552 F555 K600 L601 F606 Y608R552-F604 HydrophobicContact CG-CE2 4.35Å; F555-F604 HydrophobicContact CB-CE1 4.48Å; F555-F604 HydrophobicContact CB-CZ 3.76Å; F555-F604 HydrophobicContact CD1-CE1 4.05Å; F555-F604 AromaticContact CD1-CZ 3.99Å; F555-F604 HydrophobicContact CD1-CZ 3.99Å; F555-F604 AromaticContact CD2-CE1 3.92Å; F555-F604 HydrophobicContact CD2-CE1 3.92Å; F555-F604 HydrophobicContact CD2-CZ 4.02Å; F555-F604 HydrophobicContact CE1-CE1 4.21Å; F555-F604 HydrophobicContact CE2-CE1 4.08Å; F555-F604 AromaticContact CG-CE1 3.9Å; F555-F604 HydrophobicContact CG-CE1 3.9Å; F555-F604 AromaticContact CG-CZ 3.66Å; F555-F604 HydrophobicContact CG-CZ 3.66Å; F555-F604 HydrophobicContact CZ-CE1 4.23Å; K600-F604 WeakPolarHBondContact O-CB 3.37Å; K600-F604 PolarHBondContact O-N 3.45Å; K600-F604 VanDerWaalsContact O-N 3.13Å; L601-F604 HydrophobicContact CD1-CD1 4.25Å; L601-F604 WeakPolarHBondContact O-CB 3.42Å; L601-F604 PolarHBondContact O-N 3.4Å; F604-F606 VanDerWaalsContact C-N 3.34Å; F604-F606 PolarHBondContact O-N 3.14Å; F604-Y608 HydrophobicContact CZ-CD2 4.44Å; F604-Y608 WeakPolarHBondContact O-CB 3.29Å; F604-Y608 PolarHBondContact O-N 3.28Å
605L69.2Low60.7Low0 Ų072.4 Ų72.40%033%0.334CS..Hα-helixtrans-64.4-38.1-178.8-70.8173.8000112L601 D602 L609 I629 L630L601-L605 HydrophobicContact CD1-CD1 4.35Å; L601-L605 HydrophobicContact CD1-CG 4.2Å; L601-L605 HydrophobicContact CG-CD1 4.08Å; L601-L605 HydrophobicContact CG-CG 4.37Å; L601-L605 WeakPolarHBondContact O-CB 3.36Å; L601-L605 WeakPolarHBondContact O-CG 3.3Å; L601-L605 PolarHBondContact O-N 3Å; D602-L605 PolarHBondContact O-N 3.49Å; L605-L609 WeakPolarHBondContact O-CB 3.25Å; L605-L609 PolarHBondContact O-N 3.45Å; L605-I629 HydrophobicContact CD1-CG2 4Å; L605-I629 HydrophobicContact CD2-CG2 3.93Å; L605-L630 HydrophobicContact CB-CD2 4.33Å
606F67.9Low60.3Low34 Ų3473.8 Ų73.815%0.14934%0.336CS..Hα-helixtrans-76.9-40179.4-163.3-106.9000112.8D602 Q603 F604 Y608 L609 K610 K643D602-F606 WeakPolarHBondContact O-CB 3.36Å; D602-F606 PolarHBondContact O-N 2.83Å; Q603-F606 PolarHBondContact O-N 3.03Å; F604-F606 VanDerWaalsContact C-N 3.34Å; F604-F606 PolarHBondContact O-N 3.14Å; F606-Y608 VanDerWaalsContact C-N 3.25Å; F606-Y608 PolarHBondContact O-N 3.34Å; F606-L609 PolarHBondContact O-N 3.42Å; F606-K610 HydrophobicContact CD1-CD 4.26Å; F606-K610 HydrophobicContact CE1-CD 4.17Å; F606-K610 PolarHBondContact O-N 2.63Å; F606-K643 HydrophobicContact CE2-CB 3.96Å; F606-K643 HydrophobicContact CZ-CB 4.24Å
607D67.1Low59.9Low68 Ų6877.1 Ų77.136%0.36435%0.353SS..Hα-helixtrans-60.1-41.6171.6-71.6-17000109.8Q603 K610 D611Q603-D607 WeakPolarHBondContact CG-OD2 3.36Å; Q603-D607 VanDerWaalsContact O-CB 3.25Å; Q603-D607 WeakPolarHBondContact O-CB 3.34Å; Q603-D607 PolarHBondContact O-N 2.73Å; D607-K610 WeakPolarHBondContact O-CB 2.96Å; D607-K610 PolarHBondContact O-N 3.46Å; D607-D611 WeakPolarHBondContact O-CB 2.89Å; D607-D611 PolarHBondContact O-N 3.02Å
608Y65.8Low59Low29 Ų2980.1 Ų80.111%0.11437%0.371CS..Hα-helixtrans-63.8-44.6175-170.8-93.6000112.7F555 D559 F604 F606 K610 D611 C612 T626F555-Y608 HydrophobicContact CD1-CE1 4.37Å; F555-Y608 HydrophobicContact CD1-CE2 4.05Å; F555-Y608 AromaticContact CD1-CZ 3.99Å; D559-Y608 PolarHBondContact OD1-OH 2.88Å; D559-Y608 WeakPolarHBondContact OD2-CE2 3.44Å; F604-Y608 HydrophobicContact CZ-CD2 4.44Å; F604-Y608 WeakPolarHBondContact O-CB 3.29Å; F604-Y608 PolarHBondContact O-N 3.28Å; F606-Y608 VanDerWaalsContact C-N 3.25Å; F606-Y608 PolarHBondContact O-N 3.34Å; Y608-K610 VanDerWaalsContact C-N 3.3Å; Y608-K610 PolarHBondContact O-N 3.1Å; Y608-D611 PolarHBondContact O-N 2.78Å; Y608-C612 WeakPolarHBondContact CE1-SG 3.38Å; Y608-C612 PolarHBondContact O-N 3.45Å; Y608-C612 PolarHBondContact O-SG 3.48Å; Y608-T626 HydrophobicContact CD1-CG2 3.76Å; Y608-T626 HydrophobicContact CE1-CG2 4.14Å; Y608-T626 VanDerWaalsContact CE1-OG1 3.29Å; Y608-T626 WeakPolarHBondContact CE1-OG1 3.46Å
609L64.7Low58Low17 Ų1783 Ų839%0.08939%0.386CS..Hα-helixtrans-62.1-34.7175.1179.5136.4000112.8L605 F606 M627 L630 F647L605-L609 WeakPolarHBondContact O-CB 3.25Å; L605-L609 PolarHBondContact O-N 3.45Å; F606-L609 PolarHBondContact O-N 3.42Å; L609-M627 HydrophobicContact CD1-SD 4.29Å; L609-L630 HydrophobicContact CB-CD1 4.38Å; L609-L630 HydrophobicContact CD1-CD1 3.13Å; L609-L630 HydrophobicContact CG-CD1 4.33Å; L609-F647 HydrophobicContact CD2-CD1 3.74Å; L609-F647 HydrophobicContact CD2-CE1 3.32Å; L609-F647 HydrophobicContact CD2-CE2 4.39Å; L609-F647 HydrophobicContact CD2-CG 4.38Å; L609-F647 HydrophobicContact CD2-CZ 3.62Å; L609-F647 HydrophobicContact CG-CE1 4.38Å
610K65.5Low56.9Low106 Ų10681.1 Ų81.146%0.46139%0.39SS..Hα-helixtrans-68.6-43.4171.9-78177171.9171.80112.2F606 D607 Y608 Q613F606-K610 HydrophobicContact CD1-CD 4.26Å; F606-K610 HydrophobicContact CE1-CD 4.17Å; F606-K610 PolarHBondContact O-N 2.63Å; D607-K610 WeakPolarHBondContact O-CB 2.96Å; D607-K610 PolarHBondContact O-N 3.46Å; Y608-K610 VanDerWaalsContact C-N 3.3Å; Y608-K610 PolarHBondContact O-N 3.1Å; K610-Q613 WeakPolarHBondContact O-CB 3.49Å; K610-Q613 PolarHBondContact O-N 2.88Å
611D59.5Low56Low106 Ų10684.7 Ų84.757%0.56741%0.413SS*.Hα-helixtrans-68.9-38.1-178-76.5-20.8000112.2D607 Y608 Q613 R614D607-D611 WeakPolarHBondContact O-CB 2.89Å; D607-D611 PolarHBondContact O-N 3.02Å; Y608-D611 PolarHBondContact O-N 2.78Å; D611-Q613 PolarHBondContact O-N 2.87Å; D611-R614 PolarHBondContact O-N 3.44Å
612C54Low54.9Low31 Ų3187.1 Ų87.121%0.20943%0.43CS..G310 helixtrans-57.2-22174.3-71.30000113.4Y608Y608-C612 WeakPolarHBondContact CE1-SG 3.38Å; Y608-C612 PolarHBondContact O-N 3.45Å; Y608-C612 PolarHBondContact O-SG 3.48Å
613Q51Low54Low54 Ų5488.2 Ų88.225%0.25244%0.436SS..G310 helixtrans-75.8-21.2176.9-70.5-165-26.200114.4K610 D611 E615 F647 W672K610-Q613 WeakPolarHBondContact O-CB 3.49Å; K610-Q613 PolarHBondContact O-N 2.88Å; D611-Q613 PolarHBondContact O-N 2.87Å; Q613-E615 PolarHBondContact O-N 3.26Å; Q613-F647 HydrophobicContact CG-CZ 4.26Å; Q613-F647 VanDerWaalsContact OE1-CZ 3.29Å; Q613-W672 VanDerWaalsContact NE2-CZ2 3.27Å
614R42.9Very low53.4Low225 Ų22586.6 Ų86.685%0.84943%0.431SS*.G310 helixtrans-65.8-17.4176.7-95.7-178.5171.3171.8-1.2112.5D611D611-R614 PolarHBondContact O-N 3.44Å
615E38.3Very low53.1Low128 Ų12886 Ų8660%0.59843%0.429SS*.  trans-105.860.3-179.3-64-171.2167.900112.3Q613 I617Q613-E615 PolarHBondContact O-N 3.26Å; E615-I617 PolarHBondContact O-N 2.81Å
616Q43.7Very low52.8Low163 Ų16386.5 Ų86.576%0.76243%0.432SS*.THydrogen-bonded Turntrans-60.814.1-179-104.5178.7-5.800116.8
617I43.5Very low52.8Low164 Ų16485.4 Ų85.484%0.84143%0.428SS*.THydrogen-bonded Turntrans-114.4-8.2-171.1-61.1178.5000114.4E615E615-I617 PolarHBondContact O-N 2.81Å
618T37.7Very low52.8Low68 Ų6885.4 Ų85.442%0.41743%0.427SS..  trans-117.926-175.140.70000115.2N620T618-N620 VanDerWaalsContact C-N 3.29Å; T618-N620 PolarHBondContact O-N 3.01Å; T618-N620 VanDerWaalsContact O-N 3.08Å
619L39.2Very low52.9Low81 Ų8184.3 Ų84.342%0.42442%0.424SS..THydrogen-bonded Turntrans-75.310-167.8-95.2150.2000117.8Y671L619-Y671 HydrophobicContact CD2-CE1 4.34Å
620N41.6Very low53.2Low150 Ų15083.5 Ų83.580%0.80242%0.419SS*.THydrogen-bonded Turntrans-97.4-1.9-176.6-100.61.3000117.3T618T618-N620 VanDerWaalsContact C-N 3.29Å; T618-N620 PolarHBondContact O-N 3.01Å; T618-N620 VanDerWaalsContact O-N 3.08Å
621N46.7Very low53.5Low162 Ų16280 Ų8087%0.86640%0.404SS*.THydrogen-bonded Turntrans-160.3-4.1172.3-94.9-29.8000118.9
622S45.3Very low54Low53 Ų5379.1 Ų79.137%0.37139%0.393SS..SBendtrans-122.5-1.6-164.453.90000118.6
623N49Very low54.8Low49 Ų4977.7 Ų77.726%0.26238%0.384SS..  trans-97.113.1-178.7-78.8-0000115.6
624N59.2Low55.8Low95 Ų9575.1 Ų75.151%0.50837%0.372SS..Hα-helixtrans-69.9-32.8176.3-76.3-10000113T626 M627 D628N624-T626 PolarHBondContact O-N 3.03Å; N624-M627 CarbonylContact O-C 3.56Å; N624-M627 PolarHBondContact O-N 3.42Å; N624-M627 VanDerWaalsContact O-N 3.08Å; N624-D628 WeakPolarHBondContact O-CB 3.27Å; N624-D628 PolarHBondContact O-N 3.22Å; N624-D628 VanDerWaalsContact O-OD2 3.13Å
625F62.7Low57.1Low23 Ų2364.5 Ų64.510%0.10133%0.332CS..Hα-helixtrans-57.8-46.1-174.2-173-105.9000113.2F555 R580 L583 L584 D628 I629F555-F625 HydrophobicContact CE1-CD1 4.38Å; F555-F625 AromaticContact CE1-CE1 3.98Å; F555-F625 HydrophobicContact CE1-CE1 3.98Å; F555-F625 AromaticContact CZ-CE1 3.94Å; F555-F625 HydrophobicContact CZ-CE1 3.94Å; R580-F625 HydrophobicContact CB-CD2 4.48Å; R580-F625 HydrophobicContact CB-CE2 3.86Å; R580-F625 HydrophobicContact CB-CZ 4.49Å; R580-F625 HydrophobicContact CG-CD2 4.3Å; R580-F625 HydrophobicContact CG-CE2 3.93Å; R580-F625 HydrophobicContact CG-CZ 4.37Å; L583-F625 HydrophobicContact CB-CZ 4.16Å; L584-F625 HydrophobicContact CD1-CD2 4.04Å; L584-F625 HydrophobicContact CD1-CE2 3.65Å; L584-F625 HydrophobicContact CD2-CD2 4.33Å; L584-F625 HydrophobicContact CD2-CE2 3.94Å; L584-F625 HydrophobicContact CG-CD2 4.18Å; L584-F625 HydrophobicContact CG-CE2 3.46Å; L584-F625 VanDerWaalsContact CG-CE2 3.46Å; L584-F625 HydrophobicContact CG-CZ 4.15Å; F625-D628 PolarHBondContact O-N 3.11Å; F625-I629 HydrophobicContact CD1-CD1 3.75Å; F625-I629 HydrophobicContact CE1-CD1 3.33Å; F625-I629 HydrophobicContact CE1-CG1 4.5Å; F625-I629 HydrophobicContact CE2-CD1 4.33Å; F625-I629 HydrophobicContact CG-CD1 4.39Å; F625-I629 HydrophobicContact CZ-CD1 3.67Å; F625-I629 WeakPolarHBondContact O-CG1 3.35Å; F625-I629 PolarHBondContact O-N 3.36Å
626T63.7Low58.5Low10 Ų1060.2 Ų60.26%0.06131%0.311CS..Hα-helixtrans-64-45.3175.7-41.70000111.3Y608 N624 D628 I629 L630Y608-T626 HydrophobicContact CD1-CG2 3.76Å; Y608-T626 HydrophobicContact CE1-CG2 4.14Å; Y608-T626 VanDerWaalsContact CE1-OG1 3.29Å; Y608-T626 WeakPolarHBondContact CE1-OG1 3.46Å; N624-T626 PolarHBondContact O-N 3.03Å; T626-D628 VanDerWaalsContact C-N 3.3Å; T626-D628 PolarHBondContact O-N 3.1Å; T626-I629 PolarHBondContact O-N 3.38Å; T626-L630 HydrophobicContact CG2-CD1 4Å; T626-L630 HydrophobicContact CG2-CG 4.49Å; T626-L630 VanDerWaalsContact O-CB 3.26Å; T626-L630 WeakPolarHBondContact O-CB 3.47Å; T626-L630 WeakPolarHBondContact O-CG 3.43Å; T626-L630 PolarHBondContact O-N 3.43Å
627M67.3Low59.7Low12 Ų1254.2 Ų54.26%0.05928%0.284CS..Hα-helixtrans-65.2-32.3177.5-79.5-60.1-63.700112.4L609 N624 L630 K631 I648L609-M627 HydrophobicContact CD1-SD 4.29Å; N624-M627 CarbonylContact O-C 3.56Å; N624-M627 PolarHBondContact O-N 3.42Å; N624-M627 VanDerWaalsContact O-N 3.08Å; M627-L630 PolarHBondContact O-N 2.85Å; M627-L630 HydrophobicContact SD-CD1 4.32Å; M627-K631 WeakPolarHBondContact O-CB 3.35Å; M627-K631 WeakPolarHBondContact O-CG 3.38Å; M627-K631 PolarHBondContact O-N 3.27Å; M627-I648 HydrophobicContact CE-CD1 4.47Å
628D68.2Low61.2Low67 Ų6748.2 Ų48.236%0.35825%0.254SS..Hα-helixtrans-74.7-41.6179-65.4-26.6000111N624 F625 T626 L630 K631 Y632N624-D628 WeakPolarHBondContact O-CB 3.27Å; N624-D628 PolarHBondContact O-N 3.22Å; N624-D628 VanDerWaalsContact O-OD2 3.13Å; F625-D628 PolarHBondContact O-N 3.11Å; T626-D628 VanDerWaalsContact C-N 3.3Å; T626-D628 PolarHBondContact O-N 3.1Å; D628-L630 VanDerWaalsContact C-N 3.33Å; D628-K631 PolarHBondContact O-N 3.31Å; D628-K631 IonicContact OD1-NZ 2.65Å; D628-K631 PolarHBondContact OD1-NZ 3.38Å; D628-Y632 PolarHBondContact O-N 2.9Å; D628-Y632 VanDerWaalsContact O-N 3.16Å
629I67.2Low62.9Low7 Ų747.4 Ų47.44%0.03625%0.251CS..Hα-helixtrans-60.9-44.4168.8-67.6172.1000110.1F555 L584 I587 L605 F625 T626 Y632 C633F555-I629 HydrophobicContact CE1-CD1 4.49Å; F555-I629 HydrophobicContact CZ-CD1 3.96Å; L584-I629 HydrophobicContact CD2-CD1 4.37Å; L584-I629 HydrophobicContact CD2-CG1 3.67Å; I587-I629 HydrophobicContact CD1-CD1 4.11Å; L605-I629 HydrophobicContact CD1-CG2 4Å; L605-I629 HydrophobicContact CD2-CG2 3.93Å; F625-I629 HydrophobicContact CD1-CD1 3.75Å; F625-I629 HydrophobicContact CE1-CD1 3.33Å; F625-I629 HydrophobicContact CE1-CG1 4.5Å; F625-I629 HydrophobicContact CE2-CD1 4.33Å; F625-I629 HydrophobicContact CG-CD1 4.39Å; F625-I629 HydrophobicContact CZ-CD1 3.67Å; F625-I629 WeakPolarHBondContact O-CG1 3.35Å; F625-I629 PolarHBondContact O-N 3.36Å; T626-I629 PolarHBondContact O-N 3.38Å; I629-Y632 PolarHBondContact O-N 2.96Å; I629-C633 WeakPolarHBondContact O-CB 3.46Å; I629-C633 PolarHBondContact O-N 3.47Å; I629-C633 PolarHBondContact O-SG 3.37Å
630L70.3Confident64.7Low0 Ų043.8 Ų43.80%023%0.232CC..Hα-helixtrans-67.1-39.3179.3-76.4169.3000112.7L605 L609 T626 M627 D628 Y632 C633 S634 L640L605-L630 HydrophobicContact CB-CD2 4.33Å; L609-L630 HydrophobicContact CB-CD1 4.38Å; L609-L630 HydrophobicContact CD1-CD1 3.13Å; L609-L630 HydrophobicContact CG-CD1 4.33Å; T626-L630 HydrophobicContact CG2-CD1 4Å; T626-L630 HydrophobicContact CG2-CG 4.49Å; T626-L630 VanDerWaalsContact O-CB 3.26Å; T626-L630 WeakPolarHBondContact O-CB 3.47Å; T626-L630 WeakPolarHBondContact O-CG 3.43Å; T626-L630 PolarHBondContact O-N 3.43Å; M627-L630 PolarHBondContact O-N 2.85Å; M627-L630 HydrophobicContact SD-CD1 4.32Å; D628-L630 VanDerWaalsContact C-N 3.33Å; L630-Y632 VanDerWaalsContact C-N 3.3Å; L630-Y632 PolarHBondContact O-N 3.13Å; L630-C633 PolarHBondContact O-N 3.16Å; L630-S634 WeakPolarHBondContact O-CA 3.17Å; L630-S634 WeakPolarHBondContact O-CB 3.41Å; L630-S634 PolarHBondContact O-N 2.94Å; L630-S634 PolarHBondContact O-OG 2.83Å; L630-L640 HydrophobicContact CD2-CD1 3.99Å; L630-L640 HydrophobicContact CD2-CD2 4.08Å; L630-L640 HydrophobicContact CD2-CG 4.27Å
631K73.3Confident66.5Low32 Ų3236.6 Ų36.614%0.13919%0.194CC..Hα-helixtrans-56.2-48.5173.2-79.4167.6-162.8161.90110M627 D628 C635 L679 F682M627-K631 WeakPolarHBondContact O-CB 3.35Å; M627-K631 WeakPolarHBondContact O-CG 3.38Å; M627-K631 PolarHBondContact O-N 3.27Å; D628-K631 PolarHBondContact O-N 3.31Å; D628-K631 IonicContact OD1-NZ 2.65Å; D628-K631 PolarHBondContact OD1-NZ 3.38Å; K631-C635 PolarHBondContact O-N 3.17Å; K631-C635 PolarHBondContact O-SG 3.32Å; K631-L679 HydrophobicContact CB-CD1 4.48Å; K631-L679 HydrophobicContact CG-CD1 3.88Å; K631-F682 HydrophobicContact CB-CD1 3.7Å; K631-F682 HydrophobicContact CB-CE1 3.85Å; K631-F682 HydrophobicContact CB-CG 4.2Å; K631-F682 HydrophobicContact CB-CZ 4.47Å; K631-F682 HydrophobicContact CD-CG 4.46Å; K631-F682 HydrophobicContact CG-CD1 4.34Å; K631-F682 HydrophobicContact CG-CG 4.48Å; K631-F682 WeakPolarHBondContact O-CE1 3.29Å
632Y69.6Low68.1Low88 Ų8832 Ų3235%0.34517%0.167SC..Hα-helixtrans-65.6-44.2178.9-172.2-87.2000112.5P588 D628 I629 L630 K636P588-Y632 HydrophobicContact CB-CD1 4.16Å; P588-Y632 HydrophobicContact CB-CE1 3.47Å; P588-Y632 VanDerWaalsContact CB-CE1 3.47Å; P588-Y632 HydrophobicContact CG-CD1 3.96Å; P588-Y632 HydrophobicContact CG-CE1 3.76Å; D628-Y632 PolarHBondContact O-N 2.9Å; D628-Y632 VanDerWaalsContact O-N 3.16Å; I629-Y632 PolarHBondContact O-N 2.96Å; L630-Y632 VanDerWaalsContact C-N 3.3Å; L630-Y632 PolarHBondContact O-N 3.13Å; Y632-K636 HydrophobicContact CE1-CD 4.24Å; Y632-K636 VanDerWaalsContact CE1-CE 3.49Å; Y632-K636 VanDerWaalsContact CE1-NZ 3.29Å; Y632-K636 PolarHBondContact OH-NZ 2.9Å
633C69.7Low69.8Low1 Ų134.7 Ų34.71%0.00717%0.172CC..Hα-helixtrans-73-34.2-179.5-62.40000112.5Y591 I629 L630 C635 K636 N637 L640Y591-C633 HydrophobicContact CE2-CB 4.44Å; I629-C633 WeakPolarHBondContact O-CB 3.46Å; I629-C633 PolarHBondContact O-N 3.47Å; I629-C633 PolarHBondContact O-SG 3.37Å; L630-C633 PolarHBondContact O-N 3.16Å; C633-C635 VanDerWaalsContact C-N 3.29Å; C633-C635 PolarHBondContact O-N 3.33Å; C633-K636 CarbonylContact O-C 3.51Å; C633-K636 WeakPolarHBondContact O-CA 3.29Å; C633-K636 PolarHBondContact O-N 3.46Å; C633-N637 PolarHBondContact O-N 3Å; C633-N637 VanDerWaalsContact O-N 3.11Å; C633-L640 HydrophobicContact CB-CD2 3.64Å
634S73.1Confident71.2Confident0 Ų032.4 Ų32.40%016%0.16CC..Hα-helixtrans-65.4-32.4178.9-63.10000111.9L630 K636 N637L630-S634 WeakPolarHBondContact O-CA 3.17Å; L630-S634 WeakPolarHBondContact O-CB 3.41Å; L630-S634 PolarHBondContact O-N 2.94Å; L630-S634 PolarHBondContact O-OG 2.83Å; S634-K636 PolarHBondContact O-N 3.28Å; S634-N637 PolarHBondContact O-N 3.2Å
635C69.2Low72.3Confident1 Ų127.9 Ų27.91%0.00714%0.135CC..THydrogen-bonded Turntrans-64-22.5172.1-66.30000112.6K631 C633 F682 Y686 I704K631-C635 PolarHBondContact O-N 3.17Å; K631-C635 PolarHBondContact O-SG 3.32Å; C633-C635 VanDerWaalsContact C-N 3.29Å; C633-C635 PolarHBondContact O-N 3.33Å; C635-F682 VanDerWaalsContact SG-CE1 3.54Å; C635-Y686 HydrophobicContact CB-CD1 3.61Å; C635-Y686 HydrophobicContact CB-CD2 3.95Å; C635-Y686 HydrophobicContact CB-CE1 3.72Å; C635-Y686 HydrophobicContact CB-CE2 4.06Å; C635-Y686 HydrophobicContact CB-CG 3.72Å; C635-Y686 WeakPolarHBondContact O-CE1 3.46Å; C635-I704 WeakPolarHBondContact O-CD1 3.2Å
636K67.8Low73.2Confident39 Ų3932.3 Ų32.317%0.1716%0.156CC..THydrogen-bonded Turntrans-102.1-10.7-178.2-64.3-169.4-176.3178.80114.7Y591 Y632 C633 S634 V699Y591-K636 HydrophobicContact CD1-CB 4.32Å; Y591-K636 HydrophobicContact CD1-CD 4.36Å; Y591-K636 HydrophobicContact CE1-CB 4.13Å; Y632-K636 HydrophobicContact CE1-CD 4.24Å; Y632-K636 VanDerWaalsContact CE1-CE 3.49Å; Y632-K636 VanDerWaalsContact CE1-NZ 3.29Å; Y632-K636 PolarHBondContact OH-NZ 2.9Å; C633-K636 CarbonylContact O-C 3.51Å; C633-K636 WeakPolarHBondContact O-CA 3.29Å; C633-K636 PolarHBondContact O-N 3.46Å; S634-K636 PolarHBondContact O-N 3.28Å; K636-V699 HydrophobicContact CB-CG2 4.46Å; K636-V699 WeakPolarHBondContact O-CG2 3.23Å
637N69.9Low74Confident36 Ų3632.8 Ų32.819%0.19316%0.158CC..  trans-143.9109.2-179.5-175.2-16000110.7Y591 D602 C633 S634 S639 L640 L641Y591-N637 HydrophobicContact CE1-CB 4.44Å; Y591-N637 WeakPolarHBondContact OH-CB 3.35Å; Y591-N637 PolarHBondContact OH-ND2 2.74Å; Y591-N637 VanDerWaalsContact OH-ND2 3.13Å; D602-N637 PolarHBondContact OD2-ND2 3.31Å; C633-N637 PolarHBondContact O-N 3Å; C633-N637 VanDerWaalsContact O-N 3.11Å; S634-N637 PolarHBondContact O-N 3.2Å; N637-S639 VanDerWaalsContact C-N 3.27Å; N637-S639 PolarHBondContact O-N 3.24Å; N637-S639 WeakPolarHBondContact OD1-CB 3.47Å; N637-S639 PolarHBondContact OD1-N 3.47Å; N637-S639 PolarHBondContact OD1-OG 2.65Å; N637-L640 HydrophobicContact CB-CB 4.07Å; N637-L640 WeakPolarHBondContact O-CB 3.22Å; N637-L640 PolarHBondContact O-N 2.84Å; N637-L640 VanDerWaalsContact O-N 3.14Å; N637-L641 PolarHBondContact O-N 2.92Å
638L74.5Confident74.4Confident38 Ų3832.3 Ų32.320%0.19916%0.155CC..Hα-helixtrans-58.4-37.8-180179.363000112.6L640 L641 Q642 I704 Y707L638-L640 VanDerWaalsContact C-N 3.28Å; L638-L640 PolarHBondContact O-N 3.33Å; L638-L641 HydrophobicContact CD1-CD2 4.4Å; L638-L641 PolarHBondContact O-N 3.08Å; L638-Q642 HydrophobicContact CD1-CG 4.15Å; L638-Q642 HydrophobicContact CG-CG 4.27Å; L638-Q642 WeakPolarHBondContact O-CB 3.27Å; L638-Q642 WeakPolarHBondContact O-CG 3.39Å; L638-Q642 PolarHBondContact O-N 3.1Å; L638-I704 HydrophobicContact CD1-CG1 4.19Å; L638-Y707 HydrophobicContact CD1-CD1 4.24Å; L638-Y707 HydrophobicContact CD1-CG 4.31Å
639S74.5Confident74.8Confident51 Ų5129.7 Ų29.736%0.35714%0.141SC..Hα-helixtrans-66.4-33.2-179.272.80000112.1N637 K643N637-S639 VanDerWaalsContact C-N 3.27Å; N637-S639 PolarHBondContact O-N 3.24Å; N637-S639 WeakPolarHBondContact OD1-CB 3.47Å; N637-S639 PolarHBondContact OD1-N 3.47Å; N637-S639 PolarHBondContact OD1-OG 2.65Å; S639-K643 WeakPolarHBondContact O-CB 3.31Å; S639-K643 VanDerWaalsContact O-CG 3.27Å; S639-K643 WeakPolarHBondContact O-CG 3.28Å; S639-K643 PolarHBondContact O-N 3.1Å; S639-K643 VanDerWaalsContact O-N 3.13Å
640L75Confident75.3Confident5 Ų534.6 Ų34.63%0.02616%0.164CC..Hα-helixtrans-72.3-42.2174.7-175.763.6000110.6L630 C633 N637 L638 T644L630-L640 HydrophobicContact CD2-CD1 3.99Å; L630-L640 HydrophobicContact CD2-CD2 4.08Å; L630-L640 HydrophobicContact CD2-CG 4.27Å; C633-L640 HydrophobicContact CB-CD2 3.64Å; N637-L640 HydrophobicContact CB-CB 4.07Å; N637-L640 WeakPolarHBondContact O-CB 3.22Å; N637-L640 PolarHBondContact O-N 2.84Å; N637-L640 VanDerWaalsContact O-N 3.14Å; L638-L640 VanDerWaalsContact C-N 3.28Å; L638-L640 PolarHBondContact O-N 3.33Å; L640-T644 VanDerWaalsContact O-CB 3.26Å; L640-T644 WeakPolarHBondContact O-CB 3.4Å; L640-T644 PolarHBondContact O-N 3.19Å; L640-T644 PolarHBondContact O-OG1 3.34Å
641L80.7Confident75.4Confident0 Ų037.6 Ų37.60%018%0.177CC..Hα-helixtrans-59.4-48.1174.8179.564.1000111.5N637 L638 T644 I645 L679 V683 I704 Y707N637-L641 PolarHBondContact O-N 2.92Å; L638-L641 HydrophobicContact CD1-CD2 4.4Å; L638-L641 PolarHBondContact O-N 3.08Å; L641-T644 PolarHBondContact O-N 2.77Å; L641-I645 HydrophobicContact CD1-CD1 3.9Å; L641-I645 HydrophobicContact CD1-CG1 4.15Å; L641-I645 HydrophobicContact CG-CD1 4.26Å; L641-I645 WeakPolarHBondContact O-CB 3.28Å; L641-I645 WeakPolarHBondContact O-CG1 3.47Å; L641-I645 PolarHBondContact O-N 3.23Å; L641-L679 HydrophobicContact CD1-CD1 4.49Å; L641-L679 HydrophobicContact CD1-CD2 4.3Å; L641-L679 HydrophobicContact CD1-CG 4.41Å; L641-V683 HydrophobicContact CD1-CG2 3.95Å; L641-V683 HydrophobicContact CD2-CG1 4.44Å; L641-I704 HydrophobicContact CD2-CG1 4.48Å; L641-I704 HydrophobicContact CD2-CG2 3.88Å; L641-Y707 HydrophobicContact CD2-CD1 4.25Å; L641-Y707 HydrophobicContact CG-CD1 4.43Å; L641-Y707 HydrophobicContact CG-CE1 4.3Å
642Q81Confident75.2Confident65 Ų6536.3 Ų36.330%0.30417%0.172SC..Hα-helixtrans-58.1-54.4178.7-76177.3-2300111.3L638 T644 I645 E646 Y707L638-Q642 HydrophobicContact CD1-CG 4.15Å; L638-Q642 HydrophobicContact CG-CG 4.27Å; L638-Q642 WeakPolarHBondContact O-CB 3.27Å; L638-Q642 WeakPolarHBondContact O-CG 3.39Å; L638-Q642 PolarHBondContact O-N 3.1Å; Q642-T644 VanDerWaalsContact C-N 3.27Å; Q642-T644 PolarHBondContact O-N 2.84Å; Q642-I645 PolarHBondContact O-N 3.3Å; Q642-E646 WeakPolarHBondContact O-CB 3.47Å; Q642-E646 WeakPolarHBondContact O-CG 3.49Å; Q642-E646 PolarHBondContact O-N 2.88Å; Q642-Y707 HydrophobicContact CB-CE1 4.37Å; Q642-Y707 HydrophobicContact CB-CE2 4.49Å; Q642-Y707 HydrophobicContact CG-CD1 3.9Å; Q642-Y707 HydrophobicContact CG-CD2 3.84Å; Q642-Y707 HydrophobicContact CG-CE1 3.73Å; Q642-Y707 HydrophobicContact CG-CE2 3.72Å; Q642-Y707 HydrophobicContact CG-CG 3.94Å
643K79.5Confident74.9Confident110 Ų11034.5 Ų34.548%0.47817%0.168SC..Hα-helixtrans-58.5-38.9177.5-73.2176.8-177176.70112.8F606 S639 F647F606-K643 HydrophobicContact CE2-CB 3.96Å; F606-K643 HydrophobicContact CZ-CB 4.24Å; S639-K643 WeakPolarHBondContact O-CB 3.31Å; S639-K643 VanDerWaalsContact O-CG 3.27Å; S639-K643 WeakPolarHBondContact O-CG 3.28Å; S639-K643 PolarHBondContact O-N 3.1Å; S639-K643 VanDerWaalsContact O-N 3.13Å; K643-F647 WeakPolarHBondContact O-CB 3.35Å; K643-F647 PolarHBondContact O-N 2.92Å; K643-F647 VanDerWaalsContact O-N 3.07Å
644T79Confident74.4Confident1 Ų137.6 Ų37.61%0.00619%0.185CC..Hα-helixtrans-67.7-44.6179-56.60000110.9L640 L641 Q642 I648 L679L640-T644 VanDerWaalsContact O-CB 3.26Å; L640-T644 WeakPolarHBondContact O-CB 3.4Å; L640-T644 PolarHBondContact O-N 3.19Å; L640-T644 PolarHBondContact O-OG1 3.34Å; L641-T644 PolarHBondContact O-N 2.77Å; Q642-T644 VanDerWaalsContact C-N 3.27Å; Q642-T644 PolarHBondContact O-N 2.84Å; T644-I648 HydrophobicContact CG2-CD1 3.98Å; T644-I648 WeakPolarHBondContact O-CD1 3.18Å; T644-I648 WeakPolarHBondContact O-CG1 3.43Å; T644-I648 PolarHBondContact O-N 2.69Å; T644-L679 HydrophobicContact CG2-CD2 3.87Å
645I82.1Confident73.2Confident0 Ų044.2 Ų44.20%022%0.22CC..Hα-helixtrans-67.9-46.3178.4-73.2-169.3000111.7L641 Q642 F647 I648 L649 F676 L679 L680 Y707 L708 L711L641-I645 HydrophobicContact CD1-CD1 3.9Å; L641-I645 HydrophobicContact CD1-CG1 4.15Å; L641-I645 HydrophobicContact CG-CD1 4.26Å; L641-I645 WeakPolarHBondContact O-CB 3.28Å; L641-I645 WeakPolarHBondContact O-CG1 3.47Å; L641-I645 PolarHBondContact O-N 3.23Å; Q642-I645 PolarHBondContact O-N 3.3Å; I645-F647 VanDerWaalsContact C-N 3.27Å; I645-F647 PolarHBondContact O-N 2.85Å; I645-I648 PolarHBondContact O-N 3.24Å; I645-L649 HydrophobicContact CG2-CD1 3.74Å; I645-L649 HydrophobicContact CG2-CG 4.23Å; I645-L649 WeakPolarHBondContact O-CB 3.14Å; I645-L649 WeakPolarHBondContact O-CG 3.09Å; I645-L649 PolarHBondContact O-N 3.43Å; I645-F676 HydrophobicContact CG2-CE2 4.1Å; I645-L679 HydrophobicContact CD1-CD2 4.5Å; I645-L679 HydrophobicContact CG1-CD2 3.84Å; I645-L680 HydrophobicContact CD1-CD2 3.74Å; I645-Y707 HydrophobicContact CB-CE1 4.26Å; I645-Y707 WeakPolarHBondContact CB-OH 3.34Å; I645-Y707 HydrophobicContact CD1-CE1 3.88Å; I645-Y707 HydrophobicContact CG1-CE1 4.47Å; I645-Y707 HydrophobicContact CG2-CE1 4.43Å; I645-Y707 WeakPolarHBondContact CG2-OH 3.12Å; I645-L708 HydrophobicContact CD1-CD2 4.4Å; I645-L711 HydrophobicContact CD1-CD2 4.05Å; I645-L711 HydrophobicContact CG2-CD1 4.14Å; I645-L711 HydrophobicContact CG2-CD2 4.09Å
646E82.6Confident71.9Confident116 Ų11651.5 Ų51.554%0.54226%0.259SS..Hα-helixtrans-55.5-45.7176-75.4174.3178.700111Q642 L649 E650Q642-E646 WeakPolarHBondContact O-CB 3.47Å; Q642-E646 WeakPolarHBondContact O-CG 3.49Å; Q642-E646 PolarHBondContact O-N 2.88Å; E646-L649 PolarHBondContact O-N 3.16Å; E646-E650 WeakPolarHBondContact O-CB 3.01Å; E646-E650 PolarHBondContact O-N 3.33Å
647F78.7Confident70.7Confident20 Ų2055.2 Ų55.29%0.08828%0.278CS..Hα-helixtrans-62.2-44.3176.9-178.4-100.2000112.9L609 Q613 K643 I645 K651 W672L609-F647 HydrophobicContact CD2-CD1 3.74Å; L609-F647 HydrophobicContact CD2-CE1 3.32Å; L609-F647 HydrophobicContact CD2-CE2 4.39Å; L609-F647 HydrophobicContact CD2-CG 4.38Å; L609-F647 HydrophobicContact CD2-CZ 3.62Å; L609-F647 HydrophobicContact CG-CE1 4.38Å; Q613-F647 HydrophobicContact CG-CZ 4.26Å; Q613-F647 VanDerWaalsContact OE1-CZ 3.29Å; K643-F647 WeakPolarHBondContact O-CB 3.35Å; K643-F647 PolarHBondContact O-N 2.92Å; K643-F647 VanDerWaalsContact O-N 3.07Å; I645-F647 VanDerWaalsContact C-N 3.27Å; I645-F647 PolarHBondContact O-N 2.85Å; F647-K651 WeakPolarHBondContact O-CG 3.31Å; F647-K651 PolarHBondContact O-N 2.8Å; F647-W672 HydrophobicContact CD1-CH2 4.5Å; F647-W672 HydrophobicContact CD1-CZ3 4.45Å; F647-W672 AromaticContact CE1-CH2 3.88Å; F647-W672 HydrophobicContact CE1-CH2 3.88Å; F647-W672 HydrophobicContact CE1-CZ3 4.26Å
648I76.5Confident69Low2 Ų259.8 Ų59.81%0.0130%0.302CS..Hα-helixtrans-63.9-43.1177-67164.6000110.6M627 T644 I645 K651 C652 W672 F676 L679M627-I648 HydrophobicContact CE-CD1 4.47Å; T644-I648 HydrophobicContact CG2-CD1 3.98Å; T644-I648 WeakPolarHBondContact O-CD1 3.18Å; T644-I648 WeakPolarHBondContact O-CG1 3.43Å; T644-I648 PolarHBondContact O-N 2.69Å; I645-I648 PolarHBondContact O-N 3.24Å; I648-K651 PolarHBondContact O-N 2.95Å; I648-C652 PolarHBondContact O-N 3.07Å; I648-C652 PolarHBondContact O-SG 3.01Å; I648-C652 VanDerWaalsContact O-SG 3.39Å; I648-W672 HydrophobicContact CB-CE3 4.39Å; I648-W672 HydrophobicContact CG1-CE3 3.97Å; I648-W672 HydrophobicContact CG1-CZ3 4.06Å; I648-W672 HydrophobicContact CG2-CB 4.43Å; I648-W672 HydrophobicContact CG2-CE3 4.18Å; I648-W672 WeakPolarHBondContact CG2-O 3.1Å; I648-F676 HydrophobicContact CG2-CB 3.77Å; I648-F676 HydrophobicContact CG2-CD2 4.13Å; I648-F676 HydrophobicContact CG2-CG 4.44Å; I648-L679 HydrophobicContact CD1-CD2 3.92Å
649L77.2Confident67.7Low12 Ų1263.4 Ų63.46%0.06333%0.328CS..Hα-helixtrans-67.8-38.3179.7-72.7172.4000113.1I645 E646 K651 C652 N653 F676 L711 Y717I645-L649 HydrophobicContact CG2-CD1 3.74Å; I645-L649 HydrophobicContact CG2-CG 4.23Å; I645-L649 WeakPolarHBondContact O-CB 3.14Å; I645-L649 WeakPolarHBondContact O-CG 3.09Å; I645-L649 PolarHBondContact O-N 3.43Å; E646-L649 PolarHBondContact O-N 3.16Å; L649-K651 PolarHBondContact O-N 3.27Å; L649-C652 PolarHBondContact O-N 2.76Å; L649-N653 PolarHBondContact O-N 2.69Å; L649-N653 PolarHBondContact O-ND2 3.31Å; L649-F676 HydrophobicContact CD1-CE2 4.37Å; L649-F676 HydrophobicContact CD2-CD2 4.12Å; L649-F676 HydrophobicContact CD2-CE2 3.63Å; L649-F676 HydrophobicContact CD2-CZ 4.08Å; L649-F676 HydrophobicContact CG-CD2 4.4Å; L649-F676 HydrophobicContact CG-CE2 3.95Å; L649-L711 HydrophobicContact CD1-CD1 3.65Å; L649-Y717 HydrophobicContact CD1-CD2 4.34Å; L649-Y717 HydrophobicContact CD1-CE2 4.22Å; L649-Y717 HydrophobicContact CD2-CD1 4.24Å; L649-Y717 HydrophobicContact CD2-CD2 4.42Å; L649-Y717 HydrophobicContact CD2-CG 4.11Å
650E77Confident66.2Low109 Ų10968.1 Ų68.151%0.50935%0.349SS..Hα-helixtrans-57.1-42.5173-170.4-168.2153.700110.2E646 N653 N654E646-E650 WeakPolarHBondContact O-CB 3.01Å; E646-E650 PolarHBondContact O-N 3.33Å; E650-N653 PolarHBondContact O-N 2.82Å; E650-N654 VanDerWaalsContact O-CG 3.23Å; E650-N654 PolarHBondContact O-N 2.88Å; E650-N654 PolarHBondContact O-ND2 2.72Å
651K72Confident64.8Low64 Ų6470.8 Ų70.828%0.27837%0.368SS..Hα-helixtrans-70-34.4176.7-63.4-56.2-175.8-172.90113.4F647 I648 L649 W672F647-K651 WeakPolarHBondContact O-CG 3.31Å; F647-K651 PolarHBondContact O-N 2.8Å; I648-K651 PolarHBondContact O-N 2.95Å; L649-K651 PolarHBondContact O-N 3.27Å; K651-W672 HydrophobicContact CB-CD2 3.97Å; K651-W672 HydrophobicContact CB-CG 3.9Å; K651-W672 HydrophobicContact CG-CD2 4.37Å; K651-W672 HydrophobicContact CG-CZ2 4.29Å
652C69.1Low63.3Low4 Ų477 Ų773%0.02740%0.401CS..Hα-helixtrans-69.6-33.8175.6-71.30000113.5I648 L649 L669 W672I648-C652 PolarHBondContact O-N 3.07Å; I648-C652 PolarHBondContact O-SG 3.01Å; I648-C652 VanDerWaalsContact O-SG 3.39Å; L649-C652 PolarHBondContact O-N 2.76Å; C652-L669 WeakPolarHBondContact O-CD2 3.43Å; C652-W672 VanDerWaalsContact SG-CB 3.57Å
653N63.3Low61.8Low50 Ų5079.6 Ų79.627%0.26742%0.417SS..Hα-helixtrans-96.8-8.7-172-68.3-60.3000115.2L649 E650 N655 Y717 N720L649-N653 PolarHBondContact O-N 2.69Å; L649-N653 PolarHBondContact O-ND2 3.31Å; E650-N653 PolarHBondContact O-N 2.82Å; N653-N655 PolarHBondContact O-N 3.46Å; N653-Y717 WeakPolarHBondContact ND2-CD1 3.29Å; N653-Y717 WeakPolarHBondContact ND2-CE1 3.35Å; N653-N720 PolarHBondContact OD1-ND2 3.4Å
654N60.1Low60.4Low66 Ų6679.3 Ų79.335%0.35343%0.425SS..  trans-68.993178.1-81.5-19.5000111E650 D656E650-N654 VanDerWaalsContact O-CG 3.23Å; E650-N654 PolarHBondContact O-N 2.88Å; E650-N654 PolarHBondContact O-ND2 2.72Å; N654-D656 PolarHBondContact O-N 3.47Å
655N47.1Very low59.3Low140 Ų14081.7 Ų81.775%0.74944%0.437SS*.THydrogen-bonded Turntrans-72.6-13.4168.7-77.9-13.7000113N653 M657N653-N655 PolarHBondContact O-N 3.46Å; N655-M657 PolarHBondContact O-N 3.47Å; N655-M657 VanDerWaalsContact O-N 3.09Å
656D42.4Very low58.2Low153 Ų15383.2 Ų83.282%0.81845%0.445SS*.THydrogen-bonded Turntrans-75.89.6-174.4-76.7-22.6000114.7N654 L658N654-D656 PolarHBondContact O-N 3.47Å; D656-L658 PolarHBondContact O-N 2.86Å
657M43.5Very low57.2Low117 Ų11782.2 Ų82.258%0.57645%0.447SS*.SBendtrans-89.974.3173.7-66.6-68.1171.500111.2N655 N665N655-M657 PolarHBondContact O-N 3.47Å; N655-M657 VanDerWaalsContact O-N 3.09Å; M657-N665 PolarHBondContact O-ND2 3.39Å
658L33.7Very low56.5Low133 Ų13383.9 Ų83.970%0.69646%0.461SS*.  trans48125.1152.2-70.9153000119.6D656 D660D656-L658 PolarHBondContact O-N 2.86Å; L658-D660 PolarHBondContact O-N 3.42Å
659P45.7Very low56Low114 Ų11485.2 Ų85.274%0.7447%0.468SS*.SBendtrans-68.76-178.9-16.830.1000118
660D43Very low55.6Low150 Ų15088.2 Ų88.280%0.80248%0.478SS*.SBendtrans-115.962.1-171.6-68.5-30.7000112L658L658-D660 PolarHBondContact O-N 3.42Å
661S47.2Very low55.2Low61 Ų6186 Ų8643%0.42747%0.466SS..  trans16681.3151.847.80000111.5N663 V664S661-N663 PolarHBondContact O-N 2.9Å; S661-V664 PolarHBondContact O-N 2.84Å
662D47.9Very low55.2Low129 Ų12985 Ų8569%0.6946%0.46SS*.Hα-helixtrans-49.3-35.2-174.3-67.9-32.5000114.3L666D662-L666 WeakPolarHBondContact O-CD1 3.28Å; D662-L666 WeakPolarHBondContact O-CG 3.38Å
663N49.7Very low55.4Low120 Ų12084.9 Ų84.964%0.64246%0.459SS*.Hα-helixtrans-78.3-37.4-173.9-76.8-7.1000116S661 V667S661-N663 PolarHBondContact O-N 2.9Å; N663-V667 PolarHBondContact O-N 3.03Å
664V51Low56Low105 Ų10587.4 Ų87.464%0.63647%0.468SS*.Hα-helixtrans-74.7-37.5-174.4179.60000110.5S661 S668S661-V664 PolarHBondContact O-N 2.84Å; V664-S668 PolarHBondContact O-N 3.15Å
665N56Low56.7Low50 Ų5084.9 Ų84.927%0.26746%0.456SS..Hα-helixtrans-63.1-43.2175.3-77.5-19.9000111.7M657 V667 S668 L669M657-N665 PolarHBondContact O-ND2 3.39Å; N665-V667 PolarHBondContact O-N 2.58Å; N665-S668 PolarHBondContact O-N 3.39Å; N665-S668 PolarHBondContact O-OG 3.14Å; N665-L669 WeakPolarHBondContact O-CG 3.44Å; N665-L669 PolarHBondContact O-N 3.1Å; N665-L669 VanDerWaalsContact O-N 3.11Å
666L58.2Low58.4Low33 Ų3378.2 Ų78.217%0.17342%0.42CS..Hα-helixtrans-61.5-40-179.9-76.5166.2000113.4D662 L669 R670D662-L666 WeakPolarHBondContact O-CD1 3.28Å; D662-L666 WeakPolarHBondContact O-CG 3.38Å; L666-L669 PolarHBondContact O-N 3.32Å; L666-R670 WeakPolarHBondContact O-CG 3.5Å; L666-R670 PolarHBondContact O-N 3.4Å
667V62.3Low60.2Low95 Ų9571 Ų7158%0.57638%0.382SS*.Hα-helixtrans-65.5-42.4179176.20000111.3N663 N665 R670 Y671N663-V667 PolarHBondContact O-N 3.03Å; N665-V667 PolarHBondContact O-N 2.58Å; V667-R670 PolarHBondContact O-N 2.93Å; V667-Y671 PolarHBondContact O-N 2.82Å
668S63.9Low62Low54 Ų5467.1 Ų67.138%0.37837%0.366SS..Hα-helixtrans-64-42.5178.276.40000112V664 N665 R670 Y671 W672V664-S668 PolarHBondContact O-N 3.15Å; N665-S668 PolarHBondContact O-N 3.39Å; N665-S668 PolarHBondContact O-OG 3.14Å; S668-R670 VanDerWaalsContact C-N 3.35Å; S668-R670 PolarHBondContact O-N 3.04Å; S668-Y671 PolarHBondContact O-N 3.18Å; S668-W672 PolarHBondContact O-N 3.09Å; S668-W672 VanDerWaalsContact O-N 3.15Å
669L66.6Low64.3Low30 Ų3060.8 Ų60.816%0.15733%0.333CS..Hα-helixtrans-63.6-39.4176.8-69.8168.3000111.5C652 N665 L666 W672 A673C652-L669 WeakPolarHBondContact O-CD2 3.43Å; N665-L669 WeakPolarHBondContact O-CG 3.44Å; N665-L669 PolarHBondContact O-N 3.1Å; N665-L669 VanDerWaalsContact O-N 3.11Å; L666-L669 PolarHBondContact O-N 3.32Å; L669-W672 PolarHBondContact O-N 3.37Å; L669-A673 VanDerWaalsContact O-CB 3.29Å; L669-A673 WeakPolarHBondContact O-CB 3.48Å; L669-A673 PolarHBondContact O-N 2.74Å
670R67.6Low66.2Low75 Ų7555.4 Ų55.428%0.28330%0.298SS..Hα-helixtrans-63.5-39.9174-75.7-178.2-178.1164.99.9112.9L666 V667 S668 A673 K674 D728L666-R670 WeakPolarHBondContact O-CG 3.5Å; L666-R670 PolarHBondContact O-N 3.4Å; V667-R670 PolarHBondContact O-N 2.93Å; S668-R670 VanDerWaalsContact C-N 3.35Å; S668-R670 PolarHBondContact O-N 3.04Å; R670-A673 PolarHBondContact O-N 2.86Å; R670-K674 WeakPolarHBondContact O-CB 3.49Å; R670-K674 PolarHBondContact O-N 2.69Å; R670-D728 IonicContact CZ-OD2 3.65Å; R670-D728 IonicContact NH1-OD2 3.87Å; R670-D728 IonicContact NH2-OD2 2.82Å; R670-D728 PolarHBondContact NH2-OD2 3.33Å
671Y69.3Low68.2Low64 Ų6451.3 Ų51.325%0.25127%0.271SS..Hα-helixtrans-62.2-46.2177.1174.4-95.5000111.7L619 V667 S668 K674 S675L619-Y671 HydrophobicContact CD2-CE1 4.34Å; V667-Y671 PolarHBondContact O-N 2.82Å; S668-Y671 PolarHBondContact O-N 3.18Å; Y671-K674 PolarHBondContact O-N 3.02Å; Y671-S675 WeakPolarHBondContact O-CB 3.44Å; Y671-S675 PolarHBondContact O-N 3.29Å; Y671-S675 PolarHBondContact O-OG 2.92Å
672W72.3Confident69.9Low42 Ų4251.6 Ų51.616%0.15927%0.265CS..Hα-helixtrans-67.3-39.6177.7-68.4116.1000111.9Q613 F647 I648 K651 C652 S668 L669 S675 F676Q613-W672 VanDerWaalsContact NE2-CZ2 3.27Å; F647-W672 HydrophobicContact CD1-CH2 4.5Å; F647-W672 HydrophobicContact CD1-CZ3 4.45Å; F647-W672 AromaticContact CE1-CH2 3.88Å; F647-W672 HydrophobicContact CE1-CH2 3.88Å; F647-W672 HydrophobicContact CE1-CZ3 4.26Å; I648-W672 HydrophobicContact CB-CE3 4.39Å; I648-W672 HydrophobicContact CG1-CE3 3.97Å; I648-W672 HydrophobicContact CG1-CZ3 4.06Å; I648-W672 HydrophobicContact CG2-CB 4.43Å; I648-W672 HydrophobicContact CG2-CE3 4.18Å; I648-W672 WeakPolarHBondContact CG2-O 3.1Å; K651-W672 HydrophobicContact CB-CD2 3.97Å; K651-W672 HydrophobicContact CB-CG 3.9Å; K651-W672 HydrophobicContact CG-CD2 4.37Å; K651-W672 HydrophobicContact CG-CZ2 4.29Å; C652-W672 VanDerWaalsContact SG-CB 3.57Å; S668-W672 PolarHBondContact O-N 3.09Å; S668-W672 VanDerWaalsContact O-N 3.15Å; L669-W672 PolarHBondContact O-N 3.37Å; W672-S675 PolarHBondContact O-N 3.38Å; W672-F676 WeakPolarHBondContact O-CB 3.4Å; W672-F676 PolarHBondContact O-N 2.89Å
673A73.2Confident71.5Confident1 Ų145.5 Ų45.51%0.00823%0.232CC..Hα-helixtrans-60.1-45.4172.600000112.6L669 R670 F676 I677 I721 Y725L669-A673 VanDerWaalsContact O-CB 3.29Å; L669-A673 WeakPolarHBondContact O-CB 3.48Å; L669-A673 PolarHBondContact O-N 2.74Å; R670-A673 PolarHBondContact O-N 2.86Å; A673-F676 WeakPolarHBondContact O-CB 3.36Å; A673-F676 PolarHBondContact O-N 3.17Å; A673-I677 WeakPolarHBondContact O-CG1 3.4Å; A673-I677 PolarHBondContact O-N 3.11Å; A673-I721 HydrophobicContact CB-CG2 4.08Å; A673-Y725 HydrophobicContact CB-CD2 4.13Å; A673-Y725 HydrophobicContact CB-CE2 4.29Å
674K75.7Confident73.1Confident103 Ų10339.8 Ų39.845%0.44820%0.202SC..Hα-helixtrans-66.4-40.9176.8-175176.2-177.5177.20111.9R670 Y671 F676 I677 S678R670-K674 WeakPolarHBondContact O-CB 3.49Å; R670-K674 PolarHBondContact O-N 2.69Å; Y671-K674 PolarHBondContact O-N 3.02Å; K674-F676 VanDerWaalsContact C-N 3.3Å; K674-F676 PolarHBondContact O-N 2.76Å; K674-I677 PolarHBondContact O-N 2.75Å; K674-S678 WeakPolarHBondContact O-CB 3.31Å; K674-S678 PolarHBondContact O-N 3.29Å
675S75.2Confident74.5Confident13 Ų1338.2 Ų38.29%0.09119%0.188CC..Hα-helixtrans-63.8-38.7176.5-61.70000111.4Y671 W672 L679Y671-S675 WeakPolarHBondContact O-CB 3.44Å; Y671-S675 PolarHBondContact O-N 3.29Å; Y671-S675 PolarHBondContact O-OG 2.92Å; W672-S675 PolarHBondContact O-N 3.38Å; S675-L679 VanDerWaalsContact O-CB 3.24Å; S675-L679 WeakPolarHBondContact O-CB 3.34Å; S675-L679 PolarHBondContact O-N 3.01Å
676F82.2Confident75.5Confident0 Ų038.4 Ų38.40%019%0.185CC..Hα-helixtrans-61.5-54.4173.9-177.9-98.3000111.8I645 I648 L649 W672 A673 K674 S678 L679 L680 L711 F718 I721I645-F676 HydrophobicContact CG2-CE2 4.1Å; I648-F676 HydrophobicContact CG2-CB 3.77Å; I648-F676 HydrophobicContact CG2-CD2 4.13Å; I648-F676 HydrophobicContact CG2-CG 4.44Å; L649-F676 HydrophobicContact CD1-CE2 4.37Å; L649-F676 HydrophobicContact CD2-CD2 4.12Å; L649-F676 HydrophobicContact CD2-CE2 3.63Å; L649-F676 HydrophobicContact CD2-CZ 4.08Å; L649-F676 HydrophobicContact CG-CD2 4.4Å; L649-F676 HydrophobicContact CG-CE2 3.95Å; W672-F676 WeakPolarHBondContact O-CB 3.4Å; W672-F676 PolarHBondContact O-N 2.89Å; A673-F676 WeakPolarHBondContact O-CB 3.36Å; A673-F676 PolarHBondContact O-N 3.17Å; K674-F676 VanDerWaalsContact C-N 3.3Å; K674-F676 PolarHBondContact O-N 2.76Å; F676-S678 VanDerWaalsContact C-N 3.33Å; F676-S678 PolarHBondContact O-N 3.42Å; F676-L679 PolarHBondContact O-N 2.68Å; F676-L680 HydrophobicContact CD1-CD1 3.89Å; F676-L680 HydrophobicContact CE1-CD1 3.33Å; F676-L680 HydrophobicContact CE1-CG 4.32Å; F676-L680 HydrophobicContact CE2-CD1 4.21Å; F676-L680 HydrophobicContact CZ-CD1 3.53Å; F676-L680 HydrophobicContact CZ-CG 4.36Å; F676-L680 WeakPolarHBondContact O-CG 3.11Å; F676-L680 PolarHBondContact O-N 2.82Å; F676-L711 HydrophobicContact CE2-CD1 4.45Å; F676-L711 HydrophobicContact CE2-CD2 4.06Å; F676-L711 HydrophobicContact CZ-CD1 4.33Å; F676-L711 HydrophobicContact CZ-CD2 3.85Å; F676-L711 HydrophobicContact CZ-CG 4.35Å; F676-F718 HydrophobicContact CE1-CD1 4.46Å; F676-F718 AromaticContact CE1-CE1 3.83Å; F676-F718 HydrophobicContact CE1-CE1 3.83Å; F676-F718 HydrophobicContact CE1-CZ 4.13Å; F676-F718 HydrophobicContact CZ-CE1 4.37Å; F676-F718 HydrophobicContact CZ-CZ 4.21Å; F676-I721 HydrophobicContact CD1-CD1 3.45Å; F676-I721 VanDerWaalsContact CD1-CD1 3.45Å; F676-I721 HydrophobicContact CE1-CD1 3.42Å; F676-I721 VanDerWaalsContact CE1-CD1 3.42Å; F676-I721 HydrophobicContact CG-CD1 4.1Å; F676-I721 HydrophobicContact CZ-CD1 4.07Å
677I80.5Confident76.4Confident3 Ų337.1 Ų37.12%0.01518%0.178CC..Hα-helixtrans-61.7-42.7179.1-64.4173000110.5A673 K674 L680 Y681 I721 K744 L745 I748A673-I677 WeakPolarHBondContact O-CG1 3.4Å; A673-I677 PolarHBondContact O-N 3.11Å; K674-I677 PolarHBondContact O-N 2.75Å; I677-L680 PolarHBondContact O-N 3.44Å; I677-Y681 WeakPolarHBondContact O-CB 3.31Å; I677-Y681 PolarHBondContact O-N 3.48Å; I677-I721 HydrophobicContact CD1-CG2 4.2Å; I677-I721 HydrophobicContact CG1-CG2 4.49Å; I677-K744 HydrophobicContact CG2-CB 3.82Å; I677-K744 HydrophobicContact CG2-CD 4.12Å; I677-L745 HydrophobicContact CD1-CD2 4.33Å; I677-L745 HydrophobicContact CD1-CG 4.48Å; I677-L745 HydrophobicContact CG1-CD2 4.13Å; I677-I748 HydrophobicContact CG2-CD1 4.13Å
678S81.1Confident77Confident34 Ų3435.2 Ų35.224%0.23817%0.167CC..Hα-helixtrans-64.7-39.9179.2179.90000112.9K674 F676 F682K674-S678 WeakPolarHBondContact O-CB 3.31Å; K674-S678 PolarHBondContact O-N 3.29Å; F676-S678 VanDerWaalsContact C-N 3.33Å; F676-S678 PolarHBondContact O-N 3.42Å; S678-F682 WeakPolarHBondContact O-CB 3.45Å; S678-F682 PolarHBondContact O-N 2.96Å
679L82.6Confident77.4Confident1 Ų138.8 Ų38.81%0.00518%0.177CC..Hα-helixtrans-65.7-48.4176.1178.163.2000110.2K631 L641 T644 I645 I648 S675 F676 Y681 F682 V683K631-L679 HydrophobicContact CB-CD1 4.48Å; K631-L679 HydrophobicContact CG-CD1 3.88Å; L641-L679 HydrophobicContact CD1-CD1 4.49Å; L641-L679 HydrophobicContact CD1-CD2 4.3Å; L641-L679 HydrophobicContact CD1-CG 4.41Å; T644-L679 HydrophobicContact CG2-CD2 3.87Å; I645-L679 HydrophobicContact CD1-CD2 4.5Å; I645-L679 HydrophobicContact CG1-CD2 3.84Å; I648-L679 HydrophobicContact CD1-CD2 3.92Å; S675-L679 VanDerWaalsContact O-CB 3.24Å; S675-L679 WeakPolarHBondContact O-CB 3.34Å; S675-L679 PolarHBondContact O-N 3.01Å; F676-L679 PolarHBondContact O-N 2.68Å; L679-Y681 VanDerWaalsContact C-N 3.34Å; L679-Y681 PolarHBondContact O-N 3.46Å; L679-F682 PolarHBondContact O-N 3.37Å; L679-V683 HydrophobicContact CD1-CG2 4.27Å; L679-V683 VanDerWaalsContact O-CG2 3.25Å; L679-V683 WeakPolarHBondContact O-CG2 3.21Å; L679-V683 PolarHBondContact O-N 3.18Å
680L84.6Confident77.4Confident1 Ų139.1 Ų39.11%0.00518%0.179CC..Hα-helixtrans-61.7-42.2178.3-72.1-173.7000112.6I645 F676 I677 V683 C684 L708 L711 F718 I748I645-L680 HydrophobicContact CD1-CD2 3.74Å; F676-L680 HydrophobicContact CD1-CD1 3.89Å; F676-L680 HydrophobicContact CE1-CD1 3.33Å; F676-L680 HydrophobicContact CE1-CG 4.32Å; F676-L680 HydrophobicContact CE2-CD1 4.21Å; F676-L680 HydrophobicContact CZ-CD1 3.53Å; F676-L680 HydrophobicContact CZ-CG 4.36Å; F676-L680 WeakPolarHBondContact O-CG 3.11Å; F676-L680 PolarHBondContact O-N 2.82Å; I677-L680 PolarHBondContact O-N 3.44Å; L680-V683 PolarHBondContact O-N 2.99Å; L680-C684 WeakPolarHBondContact O-CB 3.38Å; L680-C684 PolarHBondContact O-N 3.29Å; L680-C684 PolarHBondContact O-SG 3.5Å; L680-L708 HydrophobicContact CD2-CD2 3.42Å; L680-L708 VanDerWaalsContact CD2-CD2 3.42Å; L680-L711 HydrophobicContact CD1-CD2 4.24Å; L680-L711 HydrophobicContact CD2-CD2 3.92Å; L680-F718 HydrophobicContact CD1-CE1 4.22Å; L680-F718 HydrophobicContact CD1-CZ 4.29Å; L680-I748 HydrophobicContact CB-CD1 3.82Å; L680-I748 HydrophobicContact CB-CG1 4.36Å; L680-I748 HydrophobicContact CB-CG2 4.4Å
681Y84.6Confident77.2Confident63 Ų6338.3 Ų38.325%0.24719%0.185CC..Hα-helixtrans-61.5-48176.8-175.9-91.7000111.1I677 L679 V683 C684 E685 K744 F747 I748I677-Y681 WeakPolarHBondContact O-CB 3.31Å; I677-Y681 PolarHBondContact O-N 3.48Å; L679-Y681 VanDerWaalsContact C-N 3.34Å; L679-Y681 PolarHBondContact O-N 3.46Å; Y681-V683 PolarHBondContact O-N 3.48Å; Y681-C684 WeakPolarHBondContact O-CB 3.42Å; Y681-C684 PolarHBondContact O-N 3.46Å; Y681-C684 VanDerWaalsContact O-N 3.16Å; Y681-E685 HydrophobicContact CD1-CG 4.32Å; Y681-E685 HydrophobicContact CE1-CG 3.88Å; Y681-E685 WeakPolarHBondContact CE1-OE1 3.48Å; Y681-E685 VanDerWaalsContact CZ-OE1 3.23Å; Y681-E685 PolarHBondContact O-N 3.17Å; Y681-E685 PolarHBondContact OH-OE1 2.97Å; Y681-K744 HydrophobicContact CD2-CB 3.97Å; Y681-K744 HydrophobicContact CD2-CD 4.14Å; Y681-K744 HydrophobicContact CD2-CG 4.04Å; Y681-K744 HydrophobicContact CE2-CG 4.29Å; Y681-K744 HydrophobicContact CG-CD 4.24Å; Y681-F747 AromaticContact CD2-CD1 3.62Å; Y681-F747 HydrophobicContact CD2-CD1 3.62Å; Y681-F747 HydrophobicContact CD2-CE1 4.22Å; Y681-F747 HydrophobicContact CD2-CG 4.41Å; Y681-F747 HydrophobicContact CE2-CB 4.21Å; Y681-F747 AromaticContact CE2-CD1 3.35Å; Y681-F747 HydrophobicContact CE2-CD1 3.35Å; Y681-F747 AromaticContact CE2-CE1 3.85Å; Y681-F747 HydrophobicContact CE2-CE1 3.85Å; Y681-F747 AromaticContact CE2-CG 3.88Å; Y681-F747 HydrophobicContact CE2-CG 3.88Å; Y681-I748 HydrophobicContact CD2-CG1 4.45Å
682F82.4Confident76.3Confident68 Ų6841.4 Ų41.430%0.29821%0.205SC..Hα-helixtrans-61.8-42176.8-176.5-94.9000112.5K631 C635 S678 L679 C684 E685 Y686K631-F682 HydrophobicContact CB-CD1 3.7Å; K631-F682 HydrophobicContact CB-CE1 3.85Å; K631-F682 HydrophobicContact CB-CG 4.2Å; K631-F682 HydrophobicContact CB-CZ 4.47Å; K631-F682 HydrophobicContact CD-CG 4.46Å; K631-F682 HydrophobicContact CG-CD1 4.34Å; K631-F682 HydrophobicContact CG-CG 4.48Å; K631-F682 WeakPolarHBondContact O-CE1 3.29Å; C635-F682 VanDerWaalsContact SG-CE1 3.54Å; S678-F682 WeakPolarHBondContact O-CB 3.45Å; S678-F682 PolarHBondContact O-N 2.96Å; L679-F682 PolarHBondContact O-N 3.37Å; F682-C684 VanDerWaalsContact C-N 3.32Å; F682-C684 PolarHBondContact O-N 2.99Å; F682-E685 PolarHBondContact O-N 2.94Å; F682-Y686 WeakPolarHBondContact O-CB 3.4Å; F682-Y686 PolarHBondContact O-N 3.34Å
683V83.4Confident75.1Confident0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-64.8-37.7175.6175.10000110.8L641 L679 L680 Y681 Y686 L687 I704 L708L641-V683 HydrophobicContact CD1-CG2 3.95Å; L641-V683 HydrophobicContact CD2-CG1 4.44Å; L679-V683 HydrophobicContact CD1-CG2 4.27Å; L679-V683 VanDerWaalsContact O-CG2 3.25Å; L679-V683 WeakPolarHBondContact O-CG2 3.21Å; L679-V683 PolarHBondContact O-N 3.18Å; L680-V683 PolarHBondContact O-N 2.99Å; Y681-V683 PolarHBondContact O-N 3.48Å; V683-Y686 PolarHBondContact O-N 3.09Å; V683-L687 HydrophobicContact CG1-CD1 4.42Å; V683-L687 WeakPolarHBondContact O-CG 3.5Å; V683-L687 PolarHBondContact O-N 2.81Å; V683-I704 HydrophobicContact CG1-CG2 3.72Å; V683-L708 HydrophobicContact CG1-CD1 3.9Å
684C82.5Confident73.5Confident0 Ų051.1 Ų51.10%026%0.26CS..Hα-helixtrans-67.6-40.8175.4-70.30000112.3L680 Y681 F682 Y686 L687 V688 F747 T751L680-C684 WeakPolarHBondContact O-CB 3.38Å; L680-C684 PolarHBondContact O-N 3.29Å; L680-C684 PolarHBondContact O-SG 3.5Å; Y681-C684 WeakPolarHBondContact O-CB 3.42Å; Y681-C684 PolarHBondContact O-N 3.46Å; Y681-C684 VanDerWaalsContact O-N 3.16Å; F682-C684 VanDerWaalsContact C-N 3.32Å; F682-C684 PolarHBondContact O-N 2.99Å; C684-Y686 VanDerWaalsContact C-N 3.33Å; C684-L687 PolarHBondContact O-N 3.3Å; C684-V688 WeakPolarHBondContact O-CG2 3.24Å; C684-V688 PolarHBondContact O-N 3.39Å; C684-F747 HydrophobicContact CB-CE1 4.09Å; C684-T751 HydrophobicContact CB-CG2 4.08Å
685E81.2Confident71.8Confident73 Ų7353.5 Ų53.534%0.34128%0.277SS..Hα-helixtrans-59.7-45.7172.4-73.8-173.6149.100110.9Y681 F682 L687 V688 E689 F747Y681-E685 HydrophobicContact CD1-CG 4.32Å; Y681-E685 HydrophobicContact CE1-CG 3.88Å; Y681-E685 WeakPolarHBondContact CE1-OE1 3.48Å; Y681-E685 VanDerWaalsContact CZ-OE1 3.23Å; Y681-E685 PolarHBondContact O-N 3.17Å; Y681-E685 PolarHBondContact OH-OE1 2.97Å; F682-E685 PolarHBondContact O-N 2.94Å; E685-L687 VanDerWaalsContact C-N 3.34Å; E685-L687 PolarHBondContact O-N 3.29Å; E685-V688 PolarHBondContact O-N 2.96Å; E685-E689 WeakPolarHBondContact O-CG 3.36Å; E685-E689 PolarHBondContact O-N 3.44Å; E685-F747 HydrophobicContact CG-CE1 4.21Å; E685-F747 HydrophobicContact CG-CZ 4.46Å
686Y76.8Confident70.2Confident53 Ų5356.5 Ų56.521%0.20830%0.295CS..Hα-helixtrans-60.1-40.5174.6-179.2-97.1000112.7C635 F682 V683 C684 N690C635-Y686 HydrophobicContact CB-CD1 3.61Å; C635-Y686 HydrophobicContact CB-CD2 3.95Å; C635-Y686 HydrophobicContact CB-CE1 3.72Å; C635-Y686 HydrophobicContact CB-CE2 4.06Å; C635-Y686 HydrophobicContact CB-CG 3.72Å; C635-Y686 WeakPolarHBondContact O-CE1 3.46Å; F682-Y686 WeakPolarHBondContact O-CB 3.4Å; F682-Y686 PolarHBondContact O-N 3.34Å; V683-Y686 PolarHBondContact O-N 3.09Å; C684-Y686 VanDerWaalsContact C-N 3.33Å; Y686-N690 WeakPolarHBondContact CD2-ND2 3.4Å; Y686-N690 VanDerWaalsContact CE1-ND2 3.31Å; Y686-N690 WeakPolarHBondContact CE1-ND2 3.24Å; Y686-N690 WeakPolarHBondContact CE2-ND2 3.42Å; Y686-N690 PolarHBondContact O-N 3.2Å; Y686-N690 PolarHBondContact O-ND2 3.32Å
687L77.4Confident68.3Low6 Ų666.1 Ų66.13%0.03134%0.34CS..Hα-helixtrans-64.4-42175.5-75.5174.2000111.7V683 C684 E685 S691 P701 I704 L708 L755V683-L687 HydrophobicContact CG1-CD1 4.42Å; V683-L687 WeakPolarHBondContact O-CG 3.5Å; V683-L687 PolarHBondContact O-N 2.81Å; C684-L687 PolarHBondContact O-N 3.3Å; E685-L687 VanDerWaalsContact C-N 3.34Å; E685-L687 PolarHBondContact O-N 3.29Å; L687-S691 WeakPolarHBondContact O-CB 3.46Å; L687-S691 PolarHBondContact O-N 3.16Å; L687-S691 PolarHBondContact O-OG 3.23Å; L687-P701 HydrophobicContact CD2-CB 3.97Å; L687-I704 HydrophobicContact CD1-CG2 4.23Å; L687-I704 HydrophobicContact CD2-CB 4.43Å; L687-I704 HydrophobicContact CD2-CG2 4.25Å; L687-L708 HydrophobicContact CD1-CD1 3.81Å; L687-L755 HydrophobicContact CB-CD1 4.33Å; L687-L755 HydrophobicContact CD1-CD1 4.12Å
688V74.5Confident66.7Low55 Ų5571.5 Ų71.533%0.33337%0.373SS..Hα-helixtrans-63.6-47.7177.1173.10000110.4C684 E685 N690 S691 I692 T751C684-V688 WeakPolarHBondContact O-CG2 3.24Å; C684-V688 PolarHBondContact O-N 3.39Å; E685-V688 PolarHBondContact O-N 2.96Å; V688-N690 PolarHBondContact O-N 3.19Å; V688-S691 PolarHBondContact O-N 2.88Å; V688-S691 PolarHBondContact O-OG 3.15Å; V688-I692 HydrophobicContact CG1-CD1 4.5Å; V688-I692 WeakPolarHBondContact O-CG1 3.44Å; V688-T751 HydrophobicContact CG2-CG2 3.59Å
689E71.4Confident65.1Low130 Ų13071.5 Ų71.561%0.60737%0.372SS*.Hα-helixtrans-60.8-39.8179.6-74.4-176.2171.400113.2E685E685-E689 WeakPolarHBondContact O-CG 3.36Å; E685-E689 PolarHBondContact O-N 3.44Å
690N67.3Low63.9Low36 Ų3676.1 Ų76.119%0.19340%0.396CS..Hα-helixtrans-87.3-22.8-179.2-64.5-66.7000113.9Y686 V688 I692 N693Y686-N690 WeakPolarHBondContact CD2-ND2 3.4Å; Y686-N690 VanDerWaalsContact CE1-ND2 3.31Å; Y686-N690 WeakPolarHBondContact CE1-ND2 3.24Å; Y686-N690 WeakPolarHBondContact CE2-ND2 3.42Å; Y686-N690 PolarHBondContact O-N 3.2Å; Y686-N690 PolarHBondContact O-ND2 3.32Å; V688-N690 PolarHBondContact O-N 3.19Å; N690-I692 PolarHBondContact O-N 3.44Å; N690-N693 CarbonylContact O-C 3.51Å; N690-N693 PolarHBondContact O-N 3.47Å; N690-N693 VanDerWaalsContact O-N 3.08Å
691S62.4Low63Low59 Ų5979 Ų7941%0.41342%0.416SS..Hα-helixtrans-64.2-25.2172.967.70000113.1L687 V688 N693L687-S691 WeakPolarHBondContact O-CB 3.46Å; L687-S691 PolarHBondContact O-N 3.16Å; L687-S691 PolarHBondContact O-OG 3.23Å; V688-S691 PolarHBondContact O-N 2.88Å; V688-S691 PolarHBondContact O-OG 3.15Å; S691-N693 VanDerWaalsContact C-N 3.25Å
692I51.3Low62.3Low128 Ų12881.9 Ų81.966%0.65643%0.434SS*.THydrogen-bonded Turntrans-75.6-19.6176.4-62.8164.9000110.9V688 N690V688-I692 HydrophobicContact CG1-CD1 4.5Å; V688-I692 WeakPolarHBondContact O-CG1 3.44Å; N690-I692 PolarHBondContact O-N 3.44Å
693N46.6Very low61.9Low93 Ų9380 Ų8050%0.49743%0.43SS..  trans-113.981.1-175.9-67.5-25.7000110.3N690 S691 N695N690-N693 CarbonylContact O-C 3.51Å; N690-N693 PolarHBondContact O-N 3.47Å; N690-N693 VanDerWaalsContact O-N 3.08Å; S691-N693 VanDerWaalsContact C-N 3.25Å; N693-N695 PolarHBondContact O-N 3.34Å
694D40.9Very low61.6Low155 Ų15580.1 Ų80.183%0.82943%0.43SS*.THydrogen-bonded Turntrans-56.84.3-178.7-88.1-26.9000116.3
695N39.7Very low61.5Low153 Ų15381 Ų8182%0.81843%0.434SS*.THydrogen-bonded Turntrans-117.820.6-165.9-69.3-17.6000116N693N693-N695 PolarHBondContact O-N 3.34Å
696T41.4Very low61.6Low76 Ų7680.4 Ų80.447%0.46644%0.439SS..  trans-112.3106.5-179.657.70000113.4T698T696-T698 PolarHBondContact O-N 3.08Å; T696-T698 VanDerWaalsContact O-N 3.08Å
697E41.8Very low61.8Low201 Ų20179 Ų7994%0.93943%0.433SS*.THydrogen-bonded Turntrans-68.83.5-178.2-70.8-176.214900115.4
698T46.3Very low62.1Low116 Ų11678.8 Ų78.871%0.71243%0.432SS*.THydrogen-bonded Turntrans-93.9-11.4-157.646.60000118.1T696T696-T698 PolarHBondContact O-N 3.08Å; T696-T698 VanDerWaalsContact O-N 3.08Å
699V48.5Very low62.6Low34 Ų3476.8 Ų76.821%0.20642%0.419CS..SBendtrans-158.5142.5165.6176.60000105.3K636 P701 I704K636-V699 HydrophobicContact CB-CG2 4.46Å; K636-V699 WeakPolarHBondContact O-CG2 3.23Å; V699-P701 WeakPolarHBondContact O-CD 3.39Å; V699-P701 VanDerWaalsContact O-N 3.15Å; V699-I704 HydrophobicContact CG1-CD1 3.94Å; V699-I704 HydrophobicContact CG1-CG1 4.4Å
700N57Low63.2Low98 Ų9876.4 Ų76.452%0.52442%0.417SS..  trans-76.699.9178.7-145.6-7.6000108.7L702 S703N700-L702 PolarHBondContact O-N 2.94Å; N700-S703 WeakPolarHBondContact O-CB 3.3Å; N700-S703 PolarHBondContact O-N 3.38Å; N700-S703 PolarHBondContact O-OG 3.24Å
701P64.7Low64Low63 Ų6375.1 Ų75.141%0.40941%0.41SS..Hα-helixtrans-54.4-26.3178.320.3-32.4000112L687 V699 S703 I704 H705L687-P701 HydrophobicContact CD2-CB 3.97Å; V699-P701 WeakPolarHBondContact O-CD 3.39Å; V699-P701 VanDerWaalsContact O-N 3.15Å; P701-S703 VanDerWaalsContact C-N 3.31Å; P701-S703 PolarHBondContact O-N 2.88Å; P701-I704 PolarHBondContact O-N 3.15Å; P701-H705 WeakPolarHBondContact O-CB 3.44Å; P701-H705 PolarHBondContact O-N 3.48Å
702L71.1Confident65.1Low122 Ų12272.3 Ų72.364%0.63939%0.391SS*.Hα-helixtrans-54.6-40.2169.8-73.5160.7000113.7N700 H705 S706N700-L702 PolarHBondContact O-N 2.94Å; L702-H705 PolarHBondContact O-N 3.44Å; L702-S706 PolarHBondContact O-N 2.85Å; L702-S706 PolarHBondContact O-OG 2.69Å
703S73.8Confident66.7Low30 Ų3068.5 Ų68.521%0.2137%0.37CS..Hα-helixtrans-75.1-36-177.769.60000112.9N700 P701 S706 Y707N700-S703 WeakPolarHBondContact O-CB 3.3Å; N700-S703 PolarHBondContact O-N 3.38Å; N700-S703 PolarHBondContact O-OG 3.24Å; P701-S703 VanDerWaalsContact C-N 3.31Å; P701-S703 PolarHBondContact O-N 2.88Å; S703-S706 WeakPolarHBondContact CA-OG 3.48Å; S703-S706 PolarHBondContact O-OG 2.82Å; S703-Y707 PolarHBondContact O-N 3.32Å
704I77.2Confident68.4Low1 Ų167.7 Ų67.71%0.00537%0.366CS..Hα-helixtrans-66.8-45.9171.2-65.2175.4000109C635 L638 L641 V683 L687 V699 P701 S706 Y707 L708C635-I704 WeakPolarHBondContact O-CD1 3.2Å; L638-I704 HydrophobicContact CD1-CG1 4.19Å; L641-I704 HydrophobicContact CD2-CG1 4.48Å; L641-I704 HydrophobicContact CD2-CG2 3.88Å; V683-I704 HydrophobicContact CG1-CG2 3.72Å; L687-I704 HydrophobicContact CD1-CG2 4.23Å; L687-I704 HydrophobicContact CD2-CB 4.43Å; L687-I704 HydrophobicContact CD2-CG2 4.25Å; V699-I704 HydrophobicContact CG1-CD1 3.94Å; V699-I704 HydrophobicContact CG1-CG1 4.4Å; P701-I704 PolarHBondContact O-N 3.15Å; I704-S706 PolarHBondContact O-N 3.41Å; I704-Y707 PolarHBondContact O-N 2.89Å; I704-L708 HydrophobicContact CG2-CD1 4.08Å; I704-L708 HydrophobicContact CG2-CG 4.31Å; I704-L708 WeakPolarHBondContact O-CG 3.32Å; I704-L708 PolarHBondContact O-N 3.13Å
705H80.5Confident70.3Confident18 Ų1860.5 Ų60.58%0.08333%0.327CS..Hα-helixtrans-57.4-47.7176.3174.860.9000112.2P701 L702 Y707 L708 F709 I752 L755 C756P701-H705 WeakPolarHBondContact O-CB 3.44Å; P701-H705 PolarHBondContact O-N 3.48Å; L702-H705 PolarHBondContact O-N 3.44Å; H705-Y707 VanDerWaalsContact C-N 3.3Å; H705-Y707 PolarHBondContact O-N 3.06Å; H705-L708 PolarHBondContact O-N 3.28Å; H705-F709 WeakPolarHBondContact O-CB 3.35Å; H705-F709 PolarHBondContact O-N 2.94Å; H705-I752 PolarHBondContact CE1-O 3.46Å; H705-L755 WeakPolarHBondContact CE1-CB 3.32Å; H705-L755 WeakPolarHBondContact ND1-CB 3.39Å; H705-L755 PolarHBondContact NE2-O 3Å; H705-C756 PolarHBondContact CE1-N 3.26Å; H705-C756 VanDerWaalsContact CE1-SG 3.58Å
706S82Confident72Confident62 Ų6259.7 Ų59.743%0.43432%0.317SS..Hα-helixtrans-60-39.4179.257.60000112.7L702 S703 I704 F709 E710L702-S706 PolarHBondContact O-N 2.85Å; L702-S706 PolarHBondContact O-OG 2.69Å; S703-S706 WeakPolarHBondContact CA-OG 3.48Å; S703-S706 PolarHBondContact O-OG 2.82Å; I704-S706 PolarHBondContact O-N 3.41Å; S706-F709 PolarHBondContact O-N 3.29Å; S706-E710 PolarHBondContact O-N 3.4Å
707Y82.3Confident73.7Confident24 Ų2459.7 Ų59.79%0.09431%0.308CS..Hα-helixtrans-68.7-44.3176.9175.5-119.1000112.2L638 L641 Q642 I645 S703 I704 H705 F709 E710 L711L638-Y707 HydrophobicContact CD1-CD1 4.24Å; L638-Y707 HydrophobicContact CD1-CG 4.31Å; L641-Y707 HydrophobicContact CD2-CD1 4.25Å; L641-Y707 HydrophobicContact CG-CD1 4.43Å; L641-Y707 HydrophobicContact CG-CE1 4.3Å; Q642-Y707 HydrophobicContact CB-CE1 4.37Å; Q642-Y707 HydrophobicContact CB-CE2 4.49Å; Q642-Y707 HydrophobicContact CG-CD1 3.9Å; Q642-Y707 HydrophobicContact CG-CD2 3.84Å; Q642-Y707 HydrophobicContact CG-CE1 3.73Å; Q642-Y707 HydrophobicContact CG-CE2 3.72Å; Q642-Y707 HydrophobicContact CG-CG 3.94Å; I645-Y707 HydrophobicContact CB-CE1 4.26Å; I645-Y707 WeakPolarHBondContact CB-OH 3.34Å; I645-Y707 HydrophobicContact CD1-CE1 3.88Å; I645-Y707 HydrophobicContact CG1-CE1 4.47Å; I645-Y707 HydrophobicContact CG2-CE1 4.43Å; I645-Y707 WeakPolarHBondContact CG2-OH 3.12Å; S703-Y707 PolarHBondContact O-N 3.32Å; I704-Y707 PolarHBondContact O-N 2.89Å; H705-Y707 VanDerWaalsContact C-N 3.3Å; H705-Y707 PolarHBondContact O-N 3.06Å; Y707-F709 VanDerWaalsContact C-N 3.3Å; Y707-F709 PolarHBondContact O-N 3.42Å; Y707-E710 PolarHBondContact O-N 3.19Å; Y707-L711 WeakPolarHBondContact O-CB 3.46Å; Y707-L711 PolarHBondContact O-N 2.77Å
708L83.8Confident75.5Confident0 Ų050.2 Ų50.20%026%0.264CS..Hα-helixtrans-63.2-37.5175.8-70.2-176.7000112.1I645 L680 V683 L687 I704 H705 L711 C712 I752I645-L708 HydrophobicContact CD1-CD2 4.4Å; L680-L708 HydrophobicContact CD2-CD2 3.42Å; L680-L708 VanDerWaalsContact CD2-CD2 3.42Å; V683-L708 HydrophobicContact CG1-CD1 3.9Å; L687-L708 HydrophobicContact CD1-CD1 3.81Å; I704-L708 HydrophobicContact CG2-CD1 4.08Å; I704-L708 HydrophobicContact CG2-CG 4.31Å; I704-L708 WeakPolarHBondContact O-CG 3.32Å; I704-L708 PolarHBondContact O-N 3.13Å; H705-L708 PolarHBondContact O-N 3.28Å; L708-L711 HydrophobicContact CD2-CD2 4.37Å; L708-L711 WeakPolarHBondContact O-CB 3.16Å; L708-L711 PolarHBondContact O-N 3.41Å; L708-C712 WeakPolarHBondContact O-CB 3.22Å; L708-C712 PolarHBondContact O-N 3.37Å; L708-C712 PolarHBondContact O-SG 3.41Å; L708-C712 VanDerWaalsContact O-SG 3.39Å; L708-I752 HydrophobicContact CB-CD1 4.05Å; L708-I752 HydrophobicContact CB-CG1 4.45Å; L708-I752 HydrophobicContact CD1-CD1 4.43Å
709F85Confident76.7Confident13 Ų1345.8 Ų45.86%0.05724%0.237CC..Hα-helixtrans-64.3-44.4175.2177-111000111.9H705 S706 Y707 L711 C712 Q713 C756 E760 L764H705-F709 WeakPolarHBondContact O-CB 3.35Å; H705-F709 PolarHBondContact O-N 2.94Å; S706-F709 PolarHBondContact O-N 3.29Å; Y707-F709 VanDerWaalsContact C-N 3.3Å; Y707-F709 PolarHBondContact O-N 3.42Å; F709-L711 VanDerWaalsContact C-N 3.33Å; F709-L711 PolarHBondContact O-N 3.17Å; F709-C712 PolarHBondContact O-N 2.86Å; F709-Q713 HydrophobicContact CE1-CG 4.5Å; F709-Q713 HydrophobicContact CZ-CG 4.38Å; F709-Q713 WeakPolarHBondContact O-CG 3.42Å; F709-Q713 PolarHBondContact O-N 2.85Å; F709-Q713 VanDerWaalsContact O-N 3.13Å; F709-C756 WeakPolarHBondContact CD2-SG 3.19Å; F709-E760 HydrophobicContact CD1-CG 4.15Å; F709-E760 HydrophobicContact CD2-CB 4.39Å; F709-E760 HydrophobicContact CE1-CB 3.83Å; F709-E760 HydrophobicContact CE1-CG 3.49Å; F709-E760 VanDerWaalsContact CE1-CG 3.49Å; F709-E760 HydrophobicContact CE2-CB 3.65Å; F709-E760 HydrophobicContact CE2-CG 4.27Å; F709-E760 WeakPolarHBondContact CE2-O 3.44Å; F709-E760 HydrophobicContact CZ-CB 3.35Å; F709-E760 HydrophobicContact CZ-CG 3.59Å; F709-E760 WeakPolarHBondContact CZ-O 3.46Å; F709-L764 HydrophobicContact CE2-CB 4.07Å; F709-L764 HydrophobicContact CE2-CD2 4.48Å
710E84Confident77.8Confident122 Ų12246.8 Ų46.857%0.5724%0.241SC*.Hα-helixtrans-61.1-42.3174.2-173174.8-168.800111.7S706 Y707 C712 Q713S706-E710 PolarHBondContact O-N 3.4Å; Y707-E710 PolarHBondContact O-N 3.19Å; E710-C712 PolarHBondContact O-N 2.74Å; E710-Q713 WeakPolarHBondContact O-CB 3.49Å; E710-Q713 PolarHBondContact O-N 3.31Å
711L84.4Confident78.5Confident9 Ų942.3 Ų42.35%0.04722%0.217CC..Hα-helixtrans-59.2-46.7173.8-179.568.5000111.5I645 L649 F676 L680 Y707 L708 F709 Q713 N714 Y717I645-L711 HydrophobicContact CD1-CD2 4.05Å; I645-L711 HydrophobicContact CG2-CD1 4.14Å; I645-L711 HydrophobicContact CG2-CD2 4.09Å; L649-L711 HydrophobicContact CD1-CD1 3.65Å; F676-L711 HydrophobicContact CE2-CD1 4.45Å; F676-L711 HydrophobicContact CE2-CD2 4.06Å; F676-L711 HydrophobicContact CZ-CD1 4.33Å; F676-L711 HydrophobicContact CZ-CD2 3.85Å; F676-L711 HydrophobicContact CZ-CG 4.35Å; L680-L711 HydrophobicContact CD1-CD2 4.24Å; L680-L711 HydrophobicContact CD2-CD2 3.92Å; Y707-L711 WeakPolarHBondContact O-CB 3.46Å; Y707-L711 PolarHBondContact O-N 2.77Å; L708-L711 HydrophobicContact CD2-CD2 4.37Å; L708-L711 WeakPolarHBondContact O-CB 3.16Å; L708-L711 PolarHBondContact O-N 3.41Å; F709-L711 VanDerWaalsContact C-N 3.33Å; F709-L711 PolarHBondContact O-N 3.17Å; L711-Q713 VanDerWaalsContact C-N 3.25Å; L711-Q713 PolarHBondContact O-N 3.38Å; L711-N714 PolarHBondContact O-N 2.82Å; L711-N714 VanDerWaalsContact O-N 3.14Å; L711-Y717 HydrophobicContact CD1-CD2 4.39Å
712C85.4Confident78.7Confident1 Ų139.4 Ų39.41%0.00720%0.198CC..Hα-helixtrans-63-24178.1-79.40000113.8L708 F709 E710 N714 F749 I752 L764 Y768L708-C712 WeakPolarHBondContact O-CB 3.22Å; L708-C712 PolarHBondContact O-N 3.37Å; L708-C712 PolarHBondContact O-SG 3.41Å; L708-C712 VanDerWaalsContact O-SG 3.39Å; F709-C712 PolarHBondContact O-N 2.86Å; E710-C712 PolarHBondContact O-N 2.74Å; C712-N714 PolarHBondContact O-N 3.48Å; C712-F749 HydrophobicContact CB-CE1 3.94Å; C712-F749 HydrophobicContact CB-CZ 4.32Å; C712-I752 WeakPolarHBondContact SG-CD1 3.34Å; C712-L764 HydrophobicContact CB-CD1 4.03Å; C712-Y768 VanDerWaalsContact O-CE2 3.26Å; C712-Y768 WeakPolarHBondContact O-CE2 3.5Å; C712-Y768 PolarHBondContact O-OH 3.19Å
713Q84.2Confident78.6Confident48 Ų4838.4 Ų38.422%0.22419%0.19CC..Hα-helixtrans-66.5-22.7175-70.2173.337.700112.9F709 E710 L711 V715 K763 I767F709-Q713 HydrophobicContact CE1-CG 4.5Å; F709-Q713 HydrophobicContact CZ-CG 4.38Å; F709-Q713 WeakPolarHBondContact O-CG 3.42Å; F709-Q713 PolarHBondContact O-N 2.85Å; F709-Q713 VanDerWaalsContact O-N 3.13Å; E710-Q713 WeakPolarHBondContact O-CB 3.49Å; E710-Q713 PolarHBondContact O-N 3.31Å; L711-Q713 VanDerWaalsContact C-N 3.25Å; L711-Q713 PolarHBondContact O-N 3.38Å; Q713-V715 PolarHBondContact O-N 3.39Å; Q713-K763 VanDerWaalsContact OE1-CE 3.26Å; Q713-I767 HydrophobicContact CB-CD1 4.39Å; Q713-I767 HydrophobicContact CG-CD1 4.31Å
714N83.2Confident78.2Confident76 Ų7638.6 Ų38.641%0.40619%0.188SC..  trans-83.275.2-179.9-72.6-55000111.8L711 C712 K716 Y717L711-N714 PolarHBondContact O-N 2.82Å; L711-N714 VanDerWaalsContact O-N 3.14Å; C712-N714 PolarHBondContact O-N 3.48Å; N714-K716 PolarHBondContact O-N 2.9Å; N714-Y717 HydrophobicContact CB-CD2 3.29Å; N714-Y717 HydrophobicContact CB-CE2 3.68Å; N714-Y717 HydrophobicContact CB-CG 4.14Å; N714-Y717 PolarHBondContact O-N 2.9Å
715V79.1Confident77.6Confident3 Ų339.6 Ų39.62%0.01819%0.191CC..Hα-helixtrans-49.9-38.3179.7-178.30000112.5Q713 Y717 F718 V719 I767 Y768 Y771 L789Q713-V715 PolarHBondContact O-N 3.39Å; V715-Y717 VanDerWaalsContact C-N 3.29Å; V715-Y717 PolarHBondContact O-N 2.7Å; V715-F718 PolarHBondContact O-N 2.95Å; V715-F718 VanDerWaalsContact O-N 3.15Å; V715-V719 HydrophobicContact CG1-CG2 3.76Å; V715-V719 WeakPolarHBondContact O-CG2 3.26Å; V715-V719 PolarHBondContact O-N 3.2Å; V715-I767 HydrophobicContact CG2-CG2 3.13Å; V715-Y768 HydrophobicContact CG1-CD1 4.49Å; V715-Y768 HydrophobicContact CG1-CE1 4.22Å; V715-Y768 HydrophobicContact CG2-CD1 4.42Å; V715-Y768 HydrophobicContact CG2-CD2 3.91Å; V715-Y768 HydrophobicContact CG2-CE1 4.24Å; V715-Y768 HydrophobicContact CG2-CE2 3.69Å; V715-Y768 HydrophobicContact CG2-CG 4.26Å; V715-Y771 HydrophobicContact CB-CD2 3.93Å; V715-Y771 HydrophobicContact CB-CE2 4.09Å; V715-Y771 HydrophobicContact CB-CG 4.24Å; V715-Y771 HydrophobicContact CG1-CD1 4.03Å; V715-Y771 HydrophobicContact CG1-CD2 3.93Å; V715-Y771 HydrophobicContact CG1-CE2 4.41Å; V715-Y771 HydrophobicContact CG1-CG 3.71Å; V715-Y771 HydrophobicContact CG2-CD2 3.91Å; V715-Y771 HydrophobicContact CG2-CE2 4.33Å; V715-Y771 HydrophobicContact CG2-CG 4.45Å; V715-L789 HydrophobicContact CG1-CD2 4.43Å
716K76.3Confident76.6Confident137 Ų13740 Ų4060%0.59620%0.196SC*.Hα-helixtrans-57.4-38179.6-68.3-177.4-179.9177.90113N714 V719 N720 Y771N714-K716 PolarHBondContact O-N 2.9Å; K716-V719 PolarHBondContact O-N 2.96Å; K716-N720 VanDerWaalsContact O-CB 3.31Å; K716-N720 WeakPolarHBondContact O-CB 3.47Å; K716-N720 PolarHBondContact O-N 3.02Å; K716-N720 PolarHBondContact O-OD1 3.35Å; K716-Y771 VanDerWaalsContact CE-OH 3.29Å; K716-Y771 WeakPolarHBondContact CE-OH 3.49Å
717Y76.9Confident75.2Confident76 Ų7640.1 Ų40.130%0.29820%0.197SC..Hα-helixtrans-62.8-46.9177.2-70.3-39.7000110.9L649 N653 L711 N714 V715 N720 I721L649-Y717 HydrophobicContact CD1-CD2 4.34Å; L649-Y717 HydrophobicContact CD1-CE2 4.22Å; L649-Y717 HydrophobicContact CD2-CD1 4.24Å; L649-Y717 HydrophobicContact CD2-CD2 4.42Å; L649-Y717 HydrophobicContact CD2-CG 4.11Å; N653-Y717 WeakPolarHBondContact ND2-CD1 3.29Å; N653-Y717 WeakPolarHBondContact ND2-CE1 3.35Å; L711-Y717 HydrophobicContact CD1-CD2 4.39Å; N714-Y717 HydrophobicContact CB-CD2 3.29Å; N714-Y717 HydrophobicContact CB-CE2 3.68Å; N714-Y717 HydrophobicContact CB-CG 4.14Å; N714-Y717 PolarHBondContact O-N 2.9Å; V715-Y717 VanDerWaalsContact C-N 3.29Å; V715-Y717 PolarHBondContact O-N 2.7Å; Y717-N720 PolarHBondContact O-N 3.4Å; Y717-I721 WeakPolarHBondContact O-CB 3.22Å; Y717-I721 WeakPolarHBondContact O-CD1 3.47Å; Y717-I721 WeakPolarHBondContact O-CG1 3.44Å; Y717-I721 PolarHBondContact O-N 2.79Å
718F79Confident73.7Confident1 Ų142.2 Ų42.20%0.00421%0.21CC..Hα-helixtrans-68.5-39.6179.4-68.7-85.9000111.9F676 L680 V715 I721 I722 L745 F749 Y768F676-F718 HydrophobicContact CE1-CD1 4.46Å; F676-F718 AromaticContact CE1-CE1 3.83Å; F676-F718 HydrophobicContact CE1-CE1 3.83Å; F676-F718 HydrophobicContact CE1-CZ 4.13Å; F676-F718 HydrophobicContact CZ-CE1 4.37Å; F676-F718 HydrophobicContact CZ-CZ 4.21Å; L680-F718 HydrophobicContact CD1-CE1 4.22Å; L680-F718 HydrophobicContact CD1-CZ 4.29Å; V715-F718 PolarHBondContact O-N 2.95Å; V715-F718 VanDerWaalsContact O-N 3.15Å; F718-I721 PolarHBondContact O-N 3.47Å; F718-I722 WeakPolarHBondContact O-CB 3.37Å; F718-I722 WeakPolarHBondContact O-CD1 3.41Å; F718-I722 WeakPolarHBondContact O-CG1 3.44Å; F718-I722 PolarHBondContact O-N 2.82Å; F718-L745 HydrophobicContact CD1-CD2 4.07Å; F718-L745 HydrophobicContact CE1-CD2 4.22Å; F718-F749 AromaticContact CD1-CE2 3.67Å; F718-F749 HydrophobicContact CD1-CE2 3.67Å; F718-F749 AromaticContact CD1-CZ 3.84Å; F718-F749 HydrophobicContact CD1-CZ 3.84Å; F718-F749 AromaticContact CD2-CZ 3.99Å; F718-F749 HydrophobicContact CD2-CZ 3.99Å; F718-F749 AromaticContact CE1-CE2 3.53Å; F718-F749 HydrophobicContact CE1-CE2 3.53Å; F718-F749 AromaticContact CE1-CZ 3.76Å; F718-F749 HydrophobicContact CE1-CZ 3.76Å; F718-F749 AromaticContact CE2-CZ 3.93Å; F718-F749 HydrophobicContact CE2-CZ 3.93Å; F718-F749 HydrophobicContact CG-CE2 4.22Å; F718-F749 AromaticContact CG-CZ 3.95Å; F718-F749 HydrophobicContact CG-CZ 3.95Å; F718-F749 AromaticContact CZ-CE2 4Å; F718-F749 HydrophobicContact CZ-CE2 4Å; F718-F749 AromaticContact CZ-CZ 3.8Å; F718-F749 HydrophobicContact CZ-CZ 3.8Å; F718-Y768 WeakPolarHBondContact CD2-OH 3.05Å
719V72.5Confident71.7Confident24 Ų2447.9 Ų47.915%0.14525%0.246CC..Hα-helixtrans-61.9-45.2174.2172.50000111.2V715 K716 I722 Q723 V785 L789V715-V719 HydrophobicContact CG1-CG2 3.76Å; V715-V719 WeakPolarHBondContact O-CG2 3.26Å; V715-V719 PolarHBondContact O-N 3.2Å; K716-V719 PolarHBondContact O-N 2.96Å; V719-I722 PolarHBondContact O-N 3.45Å; V719-Q723 VanDerWaalsContact O-CB 3.25Å; V719-Q723 WeakPolarHBondContact O-CB 3.26Å; V719-Q723 PolarHBondContact O-N 2.93Å; V719-V785 HydrophobicContact CG1-CG1 4.2Å; V719-L789 HydrophobicContact CG2-CD1 4.1Å; V719-L789 HydrophobicContact CG2-CD2 3.73Å; V719-L789 HydrophobicContact CG2-CG 4.22Å
720N72Confident69.6Low55 Ų5553.2 Ų53.229%0.29427%0.274SS..Hα-helixtrans-61.7-46.1176.2-71.4-3.5000110.9N653 K716 Y717 I722 Q723 H724N653-N720 PolarHBondContact OD1-ND2 3.4Å; K716-N720 VanDerWaalsContact O-CB 3.31Å; K716-N720 WeakPolarHBondContact O-CB 3.47Å; K716-N720 PolarHBondContact O-N 3.02Å; K716-N720 PolarHBondContact O-OD1 3.35Å; Y717-N720 PolarHBondContact O-N 3.4Å; N720-I722 PolarHBondContact O-N 2.98Å; N720-Q723 PolarHBondContact O-N 3.41Å; N720-Q723 VanDerWaalsContact O-N 3.17Å; N720-H724 PolarHBondContact O-CD2 2.95Å; N720-H724 PolarHBondContact O-N 2.87Å
721I70.7Confident67.7Low4 Ų451.7 Ų51.72%0.02127%0.273CS..Hα-helixtrans-59-45.9177.2-71.6164.1000111A673 F676 I677 Y717 F718 H724 Y725A673-I721 HydrophobicContact CB-CG2 4.08Å; F676-I721 HydrophobicContact CD1-CD1 3.45Å; F676-I721 VanDerWaalsContact CD1-CD1 3.45Å; F676-I721 HydrophobicContact CE1-CD1 3.42Å; F676-I721 VanDerWaalsContact CE1-CD1 3.42Å; F676-I721 HydrophobicContact CG-CD1 4.1Å; F676-I721 HydrophobicContact CZ-CD1 4.07Å; I677-I721 HydrophobicContact CD1-CG2 4.2Å; I677-I721 HydrophobicContact CG1-CG2 4.49Å; Y717-I721 WeakPolarHBondContact O-CB 3.22Å; Y717-I721 WeakPolarHBondContact O-CD1 3.47Å; Y717-I721 WeakPolarHBondContact O-CG1 3.44Å; Y717-I721 PolarHBondContact O-N 2.79Å; F718-I721 PolarHBondContact O-N 3.47Å; I721-H724 PolarHBondContact O-N 3.09Å; I721-Y725 PolarHBondContact O-N 3.45Å; I721-Y725 VanDerWaalsContact O-N 3.13Å
722I69.4Low65.6Low2 Ų257.1 Ų57.11%0.0130%0.302CS..Hα-helixtrans-62.7-44.1175.5-67163.3000110F718 V719 N720 H724 Y725 C726 L745 V785F718-I722 WeakPolarHBondContact O-CB 3.37Å; F718-I722 WeakPolarHBondContact O-CD1 3.41Å; F718-I722 WeakPolarHBondContact O-CG1 3.44Å; F718-I722 PolarHBondContact O-N 2.82Å; V719-I722 PolarHBondContact O-N 3.45Å; N720-I722 PolarHBondContact O-N 2.98Å; I722-H724 PolarHBondContact O-N 3.39Å; I722-Y725 WeakPolarHBondContact O-CB 3.32Å; I722-Y725 PolarHBondContact O-N 2.81Å; I722-Y725 VanDerWaalsContact O-N 3.16Å; I722-C726 WeakPolarHBondContact O-CB 3.29Å; I722-C726 PolarHBondContact O-N 3.36Å; I722-C726 PolarHBondContact O-SG 3.31Å; I722-L745 HydrophobicContact CD1-CD1 4.05Å; I722-L745 HydrophobicContact CG1-CD1 3.88Å; I722-V785 HydrophobicContact CG2-CB 4.44Å; I722-V785 HydrophobicContact CG2-CG1 4.4Å; I722-V785 HydrophobicContact CG2-CG2 4.38Å
723Q68.6Low63.7Low101 Ų10164.2 Ų64.247%0.47234%0.341SS..Hα-helixtrans-62.8-43.1179.3-174.7176.5-7.100112.3V719 N720 Y725 C726 S727 V785V719-Q723 VanDerWaalsContact O-CB 3.25Å; V719-Q723 WeakPolarHBondContact O-CB 3.26Å; V719-Q723 PolarHBondContact O-N 2.93Å; N720-Q723 PolarHBondContact O-N 3.41Å; N720-Q723 VanDerWaalsContact O-N 3.17Å; Q723-Y725 PolarHBondContact O-N 3.43Å; Q723-C726 PolarHBondContact O-N 2.84Å; Q723-S727 WeakPolarHBondContact O-CB 3.42Å; Q723-S727 PolarHBondContact O-N 3.11Å; Q723-S727 PolarHBondContact O-OG 3.22Å; Q723-V785 HydrophobicContact CB-CG2 4.35Å
724H66.2Low62.1Low33 Ų3367.6 Ų67.615%0.15336%0.356CS..Hα-helixtrans-64.7-29.4175.2-69.5-55.1000112.6N720 I721 I722N720-H724 PolarHBondContact O-CD2 2.95Å; N720-H724 PolarHBondContact O-N 2.87Å; I721-H724 PolarHBondContact O-N 3.09Å; I722-H724 PolarHBondContact O-N 3.39Å
725Y64.7Low60.6Low22 Ų2265.9 Ų65.99%0.08635%0.35CS..Hα-helixtrans-73.2-30.7171.4-121.2-84.6000112.4A673 I721 I722 Q723 I738 E741A673-Y725 HydrophobicContact CB-CD2 4.13Å; A673-Y725 HydrophobicContact CB-CE2 4.29Å; I721-Y725 PolarHBondContact O-N 3.45Å; I721-Y725 VanDerWaalsContact O-N 3.13Å; I722-Y725 WeakPolarHBondContact O-CB 3.32Å; I722-Y725 PolarHBondContact O-N 2.81Å; I722-Y725 VanDerWaalsContact O-N 3.16Å; Q723-Y725 PolarHBondContact O-N 3.43Å; Y725-I738 HydrophobicContact CD1-CB 4Å; Y725-I738 HydrophobicContact CD1-CG1 3.73Å; Y725-I738 HydrophobicContact CD1-CG2 3.64Å; Y725-I738 HydrophobicContact CE1-CB 4.16Å; Y725-I738 HydrophobicContact CE1-CG1 3.78Å; Y725-I738 HydrophobicContact CE1-CG2 4.27Å; Y725-E741 HydrophobicContact CE1-CB 4.22Å; Y725-E741 HydrophobicContact CE1-CG 4.47Å; Y725-E741 WeakPolarHBondContact OH-CG 3.46Å
726C59Low59.6Low27 Ų2770.9 Ų70.918%0.18237%0.373CS..Hα-helixtrans-101.8-6.3-171.1-65.10000116.8I722 Q723 D728 P784 V785I722-C726 WeakPolarHBondContact O-CB 3.29Å; I722-C726 PolarHBondContact O-N 3.36Å; I722-C726 PolarHBondContact O-SG 3.31Å; Q723-C726 PolarHBondContact O-N 2.84Å; C726-D728 VanDerWaalsContact C-N 3.31Å; C726-D728 PolarHBondContact O-N 3.45Å; C726-D728 VanDerWaalsContact O-N 3.13Å; C726-P784 HydrophobicContact CB-CB 3.79Å; C726-P784 HydrophobicContact CB-CG 4.46Å; C726-P784 WeakPolarHBondContact SG-CB 3.39Å; C726-V785 HydrophobicContact CB-CG2 4.46Å
727S53.3Low58.9Low64 Ų6467.4 Ų67.445%0.44837%0.366SS..  trans-78.815.9-167.156.60000117.7Q723Q723-S727 WeakPolarHBondContact O-CB 3.42Å; Q723-S727 PolarHBondContact O-N 3.11Å; Q723-S727 PolarHBondContact O-OG 3.22Å
728D50.4Low58.3Low68 Ų6865.5 Ų65.536%0.36436%0.361SS..SBendtrans-116.9151.7176-91.4-29.1000113.2R670 C726 I730R670-D728 IonicContact CZ-OD2 3.65Å; R670-D728 IonicContact NH1-OD2 3.87Å; R670-D728 IonicContact NH2-OD2 2.82Å; R670-D728 PolarHBondContact NH2-OD2 3.33Å; C726-D728 VanDerWaalsContact C-N 3.31Å; C726-D728 PolarHBondContact O-N 3.45Å; C726-D728 VanDerWaalsContact O-N 3.13Å; D728-I730 PolarHBondContact O-N 3.27Å
729P42.3Very low57.7Low119 Ų11966.7 Ų66.777%0.77337%0.367SS*.  trans-65.8102.8168.727.5-30.2000109.9T731P729-T731 PolarHBondContact O-N 2.95Å
730I40.3Very low57.6Low125 Ų12568.3 Ų68.364%0.64138%0.375SS*.  trans-28.7106.7173.7-54164.6000112.6D728D728-I730 PolarHBondContact O-N 3.27Å
731T43.5Very low57.5Low90 Ų9066.4 Ų66.455%0.55236%0.364SS*.  trans-85.3135.9154.950.90000108.7P729 D733 H734P729-T731 PolarHBondContact O-N 2.95Å; T731-D733 VanDerWaalsContact C-N 3.3Å; T731-D733 PolarHBondContact O-N 2.96Å; T731-D733 VanDerWaalsContact O-N 3.13Å; T731-H734 PolarHBondContact O-N 3.45Å
732N41.4Very low57.7Low123 Ų12366.7 Ų66.766%0.65837%0.366SS*.Hα-helixtrans-50.9-40.6-166.9-76.2-11.8000114.6H734 S735N732-H734 PolarHBondContact O-N 2.9Å; N732-S735 PolarHBondContact O-N 3.45Å; N732-S735 PolarHBondContact O-OG 3.37Å
733D45.5Very low58.1Low151 Ų15168 Ų6881%0.80737%0.373SS*.Hα-helixtrans-73.2-25-172.6-73.1-15000114.2T731T731-D733 VanDerWaalsContact C-N 3.3Å; T731-D733 PolarHBondContact O-N 2.96Å; T731-D733 VanDerWaalsContact O-N 3.13Å
734H50Low58.8Low118 Ų11866 Ų6655%0.54636%0.363SS..Hα-helixtrans-89.4-14.9179.5-68.5-50.8000113.4T731 N732 Q736 I738T731-H734 PolarHBondContact O-N 3.45Å; N732-H734 PolarHBondContact O-N 2.9Å; H734-Q736 PolarHBondContact O-N 2.96Å; H734-I738 HydrophobicContact CB-CD1 4.33Å; H734-I738 WeakPolarHBondContact O-CD1 3.42Å; H734-I738 WeakPolarHBondContact O-CG1 3.43Å; H734-I738 PolarHBondContact O-N 3.48Å; H734-I738 VanDerWaalsContact O-N 3.13Å
735S51.6Low59.7Low41 Ų4164.5 Ų64.529%0.28736%0.355SS..Hα-helixtrans-57.5-47.1-17966.20000112.1N732 I738 L739N732-S735 PolarHBondContact O-N 3.45Å; N732-S735 PolarHBondContact O-OG 3.37Å; S735-I738 PolarHBondContact O-N 3Å; S735-L739 WeakPolarHBondContact O-CD1 3.31Å; S735-L739 PolarHBondContact O-N 3.2Å
736Q57.2Low60.7Low108 Ų10863.7 Ų63.751%0.50535%0.353SS..Hα-helixtrans-68.8-43.3-175.5-162.8171.7-9.200112.7H734 I738 L739 D740H734-Q736 PolarHBondContact O-N 2.96Å; Q736-I738 VanDerWaalsContact C-N 3.28Å; Q736-I738 PolarHBondContact O-N 3.41Å; Q736-L739 PolarHBondContact O-N 3.15Å; Q736-D740 PolarHBondContact O-N 3Å
737S61.8Low61.9Low63 Ų6365.7 Ų65.744%0.44136%0.358SS..Hα-helixtrans-63.4-33.9176.2175.80000112.5E741S737-E741 WeakPolarHBondContact O-CG 3.03Å; S737-E741 PolarHBondContact O-N 3.47Å
738I63.8Low63.6Low36 Ų3662.6 Ų62.619%0.18534%0.337CS..Hα-helixtrans-66.3-46.4174.5-68.9166.4000110.3Y725 H734 S735 Q736 D740 E741 I742Y725-I738 HydrophobicContact CD1-CB 4Å; Y725-I738 HydrophobicContact CD1-CG1 3.73Å; Y725-I738 HydrophobicContact CD1-CG2 3.64Å; Y725-I738 HydrophobicContact CE1-CB 4.16Å; Y725-I738 HydrophobicContact CE1-CG1 3.78Å; Y725-I738 HydrophobicContact CE1-CG2 4.27Å; H734-I738 HydrophobicContact CB-CD1 4.33Å; H734-I738 WeakPolarHBondContact O-CD1 3.42Å; H734-I738 WeakPolarHBondContact O-CG1 3.43Å; H734-I738 PolarHBondContact O-N 3.48Å; H734-I738 VanDerWaalsContact O-N 3.13Å; S735-I738 PolarHBondContact O-N 3Å; Q736-I738 VanDerWaalsContact C-N 3.28Å; Q736-I738 PolarHBondContact O-N 3.41Å; I738-D740 VanDerWaalsContact C-N 3.33Å; I738-D740 PolarHBondContact O-N 3.06Å; I738-E741 PolarHBondContact O-N 3Å; I738-I742 HydrophobicContact CG2-CD1 3.99Å; I738-I742 WeakPolarHBondContact O-CG1 3.38Å; I738-I742 PolarHBondContact O-N 2.9Å
739L66.7Low65.4Low27 Ų2759.4 Ų59.414%0.14132%0.32CS..Hα-helixtrans-66.5-33179.4-87.379.4000112.8S735 Q736 I742 N743 C850 M855S735-L739 WeakPolarHBondContact O-CD1 3.31Å; S735-L739 PolarHBondContact O-N 3.2Å; Q736-L739 PolarHBondContact O-N 3.15Å; L739-I742 PolarHBondContact O-N 3.25Å; L739-N743 WeakPolarHBondContact O-CB 3.34Å; L739-N743 PolarHBondContact O-N 3.21Å; L739-C850 WeakPolarHBondContact CD2-O 3.44Å; L739-M855 HydrophobicContact CD2-CE 4.16Å; L739-M855 HydrophobicContact CD2-SD 4.36Å
740D70.2Confident67.7Low58 Ų5856.5 Ų56.531%0.3129%0.293SS..Hα-helixtrans-68.1-37.2175.2-71.6-30.7000112.4Q736 I738 N743 K744 T854Q736-D740 PolarHBondContact O-N 3Å; I738-D740 VanDerWaalsContact C-N 3.33Å; I738-D740 PolarHBondContact O-N 3.06Å; D740-N743 WeakPolarHBondContact O-CB 3.17Å; D740-N743 PolarHBondContact O-N 2.96Å; D740-K744 PolarHBondContact O-N 3.39Å; D740-K744 VanDerWaalsContact O-N 3.14Å; D740-T854 PolarHBondContact OD1-OG1 3.43Å
741E71.9Confident69.8Low14 Ų1451 Ų517%0.06527%0.266CS..Hα-helixtrans-69.8-37173.2-67.8-73.8173.400111.8Y725 S737 I738 N743 K744Y725-E741 HydrophobicContact CE1-CB 4.22Å; Y725-E741 HydrophobicContact CE1-CG 4.47Å; Y725-E741 WeakPolarHBondContact OH-CG 3.46Å; S737-E741 WeakPolarHBondContact O-CG 3.03Å; S737-E741 PolarHBondContact O-N 3.47Å; I738-E741 PolarHBondContact O-N 3Å; E741-N743 VanDerWaalsContact C-N 3.27Å; E741-N743 PolarHBondContact O-N 2.76Å; E741-K744 WeakPolarHBondContact O-CB 3.42Å; E741-K744 PolarHBondContact O-N 2.68Å; E741-K744 IonicContact OE1-NZ 2.64Å; E741-K744 PolarHBondContact OE1-NZ 3.07Å; E741-K744 VanDerWaalsContact OE2-CD 3.3Å; E741-K744 WeakPolarHBondContact OE2-CD 3.39Å; E741-K744 WeakPolarHBondContact OE2-CE 3.44Å; E741-K744 IonicContact OE2-NZ 3.37Å; E741-K744 PolarHBondContact OE2-NZ 2.6Å
742I73.2Confident71.8Confident10 Ų1046.7 Ų46.75%0.05124%0.239CC..Hα-helixtrans-61.7-37.6169.7-68.3169.6000110.6I738 L739 K744 L745 T791I738-I742 HydrophobicContact CG2-CD1 3.99Å; I738-I742 WeakPolarHBondContact O-CG1 3.38Å; I738-I742 PolarHBondContact O-N 2.9Å; L739-I742 PolarHBondContact O-N 3.25Å; I742-K744 VanDerWaalsContact C-N 3.29Å; I742-K744 PolarHBondContact O-N 2.9Å; I742-L745 VanDerWaalsContact O-CB 3.25Å; I742-L745 WeakPolarHBondContact O-CB 3.32Å; I742-L745 PolarHBondContact O-N 2.67Å; I742-L745 VanDerWaalsContact O-N 3.08Å; I742-T791 HydrophobicContact CG2-CG2 4.26Å
743N79.4Confident74Confident31 Ų3140.9 Ų40.917%0.16621%0.208CC..Hα-helixtrans-67.4-27.1176.5-166.453.8000112.8L739 D740 E741 L745 N746 F747 S858L739-N743 WeakPolarHBondContact O-CB 3.34Å; L739-N743 PolarHBondContact O-N 3.21Å; D740-N743 WeakPolarHBondContact O-CB 3.17Å; D740-N743 PolarHBondContact O-N 2.96Å; E741-N743 VanDerWaalsContact C-N 3.27Å; E741-N743 PolarHBondContact O-N 2.76Å; N743-L745 PolarHBondContact O-N 3.01Å; N743-N746 VanDerWaalsContact O-CB 3.23Å; N743-N746 WeakPolarHBondContact O-CB 3.31Å; N743-N746 PolarHBondContact O-N 3.17Å; N743-F747 PolarHBondContact O-N 3.44Å; N743-S858 PolarHBondContact ND2-OG 2.86Å; N743-S858 WeakPolarHBondContact OD1-CB 3.43Å; N743-S858 PolarHBondContact OD1-OG 3.39Å
744K82.7Confident75.9Confident58 Ų5836.6 Ų36.625%0.25219%0.19SC..Hα-helixtrans-61.8-30.2170.4-65.7-174.6-165.9160.10112.2I677 Y681 D740 E741 I742 N746 F747 I748I677-K744 HydrophobicContact CG2-CB 3.82Å; I677-K744 HydrophobicContact CG2-CD 4.12Å; Y681-K744 HydrophobicContact CD2-CB 3.97Å; Y681-K744 HydrophobicContact CD2-CD 4.14Å; Y681-K744 HydrophobicContact CD2-CG 4.04Å; Y681-K744 HydrophobicContact CE2-CG 4.29Å; Y681-K744 HydrophobicContact CG-CD 4.24Å; D740-K744 PolarHBondContact O-N 3.39Å; D740-K744 VanDerWaalsContact O-N 3.14Å; E741-K744 WeakPolarHBondContact O-CB 3.42Å; E741-K744 PolarHBondContact O-N 2.68Å; E741-K744 IonicContact OE1-NZ 2.64Å; E741-K744 PolarHBondContact OE1-NZ 3.07Å; E741-K744 VanDerWaalsContact OE2-CD 3.3Å; E741-K744 WeakPolarHBondContact OE2-CD 3.39Å; E741-K744 WeakPolarHBondContact OE2-CE 3.44Å; E741-K744 IonicContact OE2-NZ 3.37Å; E741-K744 PolarHBondContact OE2-NZ 2.6Å; I742-K744 VanDerWaalsContact C-N 3.29Å; I742-K744 PolarHBondContact O-N 2.9Å; K744-N746 VanDerWaalsContact C-N 3.31Å; K744-N746 PolarHBondContact O-N 3.02Å; K744-F747 PolarHBondContact O-N 3.05Å; K744-I748 WeakPolarHBondContact O-CD1 3.41Å; K744-I748 VanDerWaalsContact O-CG1 3.26Å; K744-I748 WeakPolarHBondContact O-CG1 3.39Å; K744-I748 PolarHBondContact O-N 3.21Å
745L84.2Confident77.6Confident1 Ų133.9 Ų33.91%0.00518%0.179CC..Hα-helixtrans-63.3-38172.1-62.4173.4000111.3I677 F718 I722 I742 N743 F747 I748 F749I677-L745 HydrophobicContact CD1-CD2 4.33Å; I677-L745 HydrophobicContact CD1-CG 4.48Å; I677-L745 HydrophobicContact CG1-CD2 4.13Å; F718-L745 HydrophobicContact CD1-CD2 4.07Å; F718-L745 HydrophobicContact CE1-CD2 4.22Å; I722-L745 HydrophobicContact CD1-CD1 4.05Å; I722-L745 HydrophobicContact CG1-CD1 3.88Å; I742-L745 VanDerWaalsContact O-CB 3.25Å; I742-L745 WeakPolarHBondContact O-CB 3.32Å; I742-L745 PolarHBondContact O-N 2.67Å; I742-L745 VanDerWaalsContact O-N 3.08Å; N743-L745 PolarHBondContact O-N 3.01Å; L745-F747 VanDerWaalsContact C-N 3.31Å; L745-F747 PolarHBondContact O-N 3.22Å; L745-I748 HydrophobicContact CD2-CD1 4.38Å; L745-I748 PolarHBondContact O-N 3.44Å; L745-F749 HydrophobicContact CB-CD2 4.48Å; L745-F749 WeakPolarHBondContact O-CB 3.33Å; L745-F749 VanDerWaalsContact O-CD2 3.3Å; L745-F749 WeakPolarHBondContact O-CD2 3.46Å; L745-F749 PolarHBondContact O-N 3.02Å
746N85.8Confident79.2Confident5 Ų531.9 Ų31.93%0.02717%0.166CC..Hα-helixtrans-56.4-48.2174.2-174-75.4000110.9N743 K744 R750 T791 G795N743-N746 VanDerWaalsContact O-CB 3.23Å; N743-N746 WeakPolarHBondContact O-CB 3.31Å; N743-N746 PolarHBondContact O-N 3.17Å; K744-N746 VanDerWaalsContact C-N 3.31Å; K744-N746 PolarHBondContact O-N 3.02Å; N746-R750 WeakPolarHBondContact O-CB 3.11Å; N746-R750 PolarHBondContact O-N 2.85Å; N746-T791 HydrophobicContact CB-CG2 3.89Å; N746-T791 PolarHBondContact ND2-O 3.41Å; N746-G795 WeakPolarHBondContact ND2-CA 3.49Å; N746-G795 PolarHBondContact ND2-N 3.24Å; N746-G795 WeakPolarHBondContact O-CA 3.46Å
747F85.7Confident80.5Confident69 Ų6929.9 Ų29.930%0.30316%0.158SC..Hα-helixtrans-62.2-49.3177.3178.8-97000112.3Y681 C684 E685 N743 K744 L745 F749 R750 T751Y681-F747 AromaticContact CD2-CD1 3.62Å; Y681-F747 HydrophobicContact CD2-CD1 3.62Å; Y681-F747 HydrophobicContact CD2-CE1 4.22Å; Y681-F747 HydrophobicContact CD2-CG 4.41Å; Y681-F747 HydrophobicContact CE2-CB 4.21Å; Y681-F747 AromaticContact CE2-CD1 3.35Å; Y681-F747 HydrophobicContact CE2-CD1 3.35Å; Y681-F747 AromaticContact CE2-CE1 3.85Å; Y681-F747 HydrophobicContact CE2-CE1 3.85Å; Y681-F747 AromaticContact CE2-CG 3.88Å; Y681-F747 HydrophobicContact CE2-CG 3.88Å; C684-F747 HydrophobicContact CB-CE1 4.09Å; E685-F747 HydrophobicContact CG-CE1 4.21Å; E685-F747 HydrophobicContact CG-CZ 4.46Å; N743-F747 PolarHBondContact O-N 3.44Å; K744-F747 PolarHBondContact O-N 3.05Å; L745-F747 VanDerWaalsContact C-N 3.31Å; L745-F747 PolarHBondContact O-N 3.22Å; F747-F749 PolarHBondContact O-N 3.47Å; F747-R750 PolarHBondContact O-N 3.37Å; F747-T751 WeakPolarHBondContact O-CB 3.24Å; F747-T751 PolarHBondContact O-N 3.13Å; F747-T751 PolarHBondContact O-OG1 2.83Å; F747-T751 VanDerWaalsContact O-OG1 3.05Å
748I87.3Confident81.5Confident0 Ų030.4 Ų30.40%016%0.156CC..Hα-helixtrans-55.8-52.3179.1-69.3161.4000110.4I677 L680 Y681 K744 L745 R750 T751 I752I677-I748 HydrophobicContact CG2-CD1 4.13Å; L680-I748 HydrophobicContact CB-CD1 3.82Å; L680-I748 HydrophobicContact CB-CG1 4.36Å; L680-I748 HydrophobicContact CB-CG2 4.4Å; Y681-I748 HydrophobicContact CD2-CG1 4.45Å; K744-I748 WeakPolarHBondContact O-CD1 3.41Å; K744-I748 VanDerWaalsContact O-CG1 3.26Å; K744-I748 WeakPolarHBondContact O-CG1 3.39Å; K744-I748 PolarHBondContact O-N 3.21Å; L745-I748 HydrophobicContact CD2-CD1 4.38Å; L745-I748 PolarHBondContact O-N 3.44Å; I748-R750 PolarHBondContact O-N 3.02Å; I748-T751 PolarHBondContact O-N 2.9Å; I748-I752 HydrophobicContact CG2-CD1 3.65Å; I748-I752 WeakPolarHBondContact O-CB 3.35Å; I748-I752 VanDerWaalsContact O-CG1 3.29Å; I748-I752 WeakPolarHBondContact O-CG1 3.37Å; I748-I752 PolarHBondContact O-N 3.36Å
749F90Very high82.5Confident0 Ų032.7 Ų32.70%018%0.175CC..Hα-helixtrans-68.6-33.8-178.4-84.5-96.3000112.6C712 F718 L745 F747 T753 Y768 T792 I796C712-F749 HydrophobicContact CB-CE1 3.94Å; C712-F749 HydrophobicContact CB-CZ 4.32Å; F718-F749 AromaticContact CD1-CE2 3.67Å; F718-F749 HydrophobicContact CD1-CE2 3.67Å; F718-F749 AromaticContact CD1-CZ 3.84Å; F718-F749 HydrophobicContact CD1-CZ 3.84Å; F718-F749 AromaticContact CD2-CZ 3.99Å; F718-F749 HydrophobicContact CD2-CZ 3.99Å; F718-F749 AromaticContact CE1-CE2 3.53Å; F718-F749 HydrophobicContact CE1-CE2 3.53Å; F718-F749 AromaticContact CE1-CZ 3.76Å; F718-F749 HydrophobicContact CE1-CZ 3.76Å; F718-F749 AromaticContact CE2-CZ 3.93Å; F718-F749 HydrophobicContact CE2-CZ 3.93Å; F718-F749 HydrophobicContact CG-CE2 4.22Å; F718-F749 AromaticContact CG-CZ 3.95Å; F718-F749 HydrophobicContact CG-CZ 3.95Å; F718-F749 AromaticContact CZ-CE2 4Å; F718-F749 HydrophobicContact CZ-CE2 4Å; F718-F749 AromaticContact CZ-CZ 3.8Å; F718-F749 HydrophobicContact CZ-CZ 3.8Å; L745-F749 HydrophobicContact CB-CD2 4.48Å; L745-F749 WeakPolarHBondContact O-CB 3.33Å; L745-F749 VanDerWaalsContact O-CD2 3.3Å; L745-F749 WeakPolarHBondContact O-CD2 3.46Å; L745-F749 PolarHBondContact O-N 3.02Å; F747-F749 PolarHBondContact O-N 3.47Å; F749-T753 WeakPolarHBondContact O-CB 3.46Å; F749-T753 PolarHBondContact O-N 3.45Å; F749-T753 PolarHBondContact O-OG1 3.4Å; F749-Y768 HydrophobicContact CE1-CE1 4.13Å; F749-Y768 AromaticContact CE1-CE2 3.74Å; F749-Y768 HydrophobicContact CE1-CE2 3.74Å; F749-Y768 AromaticContact CE1-CZ 3.45Å; F749-Y768 VanDerWaalsContact CE1-CZ 3.45Å; F749-Y768 VanDerWaalsContact CE1-OH 3.31Å; F749-Y768 WeakPolarHBondContact CE1-OH 3.1Å; F749-Y768 HydrophobicContact CZ-CE1 4.28Å; F749-Y768 HydrophobicContact CZ-CE2 4.4Å; F749-Y768 AromaticContact CZ-CZ 3.7Å; F749-Y768 WeakPolarHBondContact CZ-OH 3.15Å; F749-T792 HydrophobicContact CB-CG2 4.32Å; F749-T792 HydrophobicContact CD1-CG2 3.78Å; F749-T792 HydrophobicContact CD2-CG2 3.5Å; F749-T792 VanDerWaalsContact CD2-CG2 3.5Å; F749-T792 HydrophobicContact CE1-CG2 3.9Å; F749-T792 HydrophobicContact CE2-CG2 3.62Å; F749-T792 HydrophobicContact CG-CG2 3.57Å; F749-T792 HydrophobicContact CZ-CG2 3.83Å; F749-I796 HydrophobicContact CB-CG1 4.05Å; F749-I796 HydrophobicContact CD1-CD1 3.89Å; F749-I796 HydrophobicContact CD1-CG1 3.68Å; F749-I796 HydrophobicContact CE1-CD1 4.41Å; F749-I796 HydrophobicContact CG-CG1 4.27Å
750R89.9Confident83.5Confident58 Ų5833.6 Ų33.622%0.21918%0.179CC..Hα-helixtrans-63.5-47173.9-176.1174.3179.9138.53.7111.6N746 F747 I748 S754 G795N746-R750 WeakPolarHBondContact O-CB 3.11Å; N746-R750 PolarHBondContact O-N 2.85Å; F747-R750 PolarHBondContact O-N 3.37Å; I748-R750 PolarHBondContact O-N 3.02Å; R750-S754 WeakPolarHBondContact O-CB 3.49Å; R750-S754 PolarHBondContact O-N 2.89Å; R750-S754 PolarHBondContact O-OG 3.29Å; R750-G795 WeakPolarHBondContact CA-O 3.4Å; R750-G795 WeakPolarHBondContact CB-O 3.41Å
751T84.6Confident84.3Confident10 Ų1030.9 Ų30.96%0.06116%0.164CC..Hα-helixtrans-63.3-51.4178.1-60.80000110.9C684 V688 F747 I748 T753 S754 L755C684-T751 HydrophobicContact CB-CG2 4.08Å; V688-T751 HydrophobicContact CG2-CG2 3.59Å; F747-T751 WeakPolarHBondContact O-CB 3.24Å; F747-T751 PolarHBondContact O-N 3.13Å; F747-T751 PolarHBondContact O-OG1 2.83Å; F747-T751 VanDerWaalsContact O-OG1 3.05Å; I748-T751 PolarHBondContact O-N 2.9Å; T751-T753 PolarHBondContact O-N 3.04Å; T751-S754 PolarHBondContact O-N 3.3Å; T751-S754 PolarHBondContact O-OG 2.8Å; T751-L755 HydrophobicContact CG2-CD1 4.4Å; T751-L755 WeakPolarHBondContact O-CG 3.42Å; T751-L755 PolarHBondContact O-N 3.22Å
752I86.1Confident85Confident0 Ų032 Ų320%017%0.171CC..Hα-helixtrans-59.3-48.1178.6-66.7170.5000110.5H705 L708 C712 I748 S754 L755 C756H705-I752 PolarHBondContact CE1-O 3.46Å; L708-I752 HydrophobicContact CB-CD1 4.05Å; L708-I752 HydrophobicContact CB-CG1 4.45Å; L708-I752 HydrophobicContact CD1-CD1 4.43Å; C712-I752 WeakPolarHBondContact SG-CD1 3.34Å; I748-I752 HydrophobicContact CG2-CD1 3.65Å; I748-I752 WeakPolarHBondContact O-CB 3.35Å; I748-I752 VanDerWaalsContact O-CG1 3.29Å; I748-I752 WeakPolarHBondContact O-CG1 3.37Å; I748-I752 PolarHBondContact O-N 3.36Å; I752-S754 VanDerWaalsContact C-N 3.28Å; I752-S754 PolarHBondContact O-N 3.46Å; I752-L755 PolarHBondContact O-N 3.28Å; I752-L755 VanDerWaalsContact O-N 3.08Å; I752-C756 PolarHBondContact O-N 3.25Å; I752-C756 VanDerWaalsContact O-N 3.15Å; I752-C756 PolarHBondContact O-SG 3.14Å
753T87.3Confident85.7Confident0 Ų036 Ų360%019%0.189CC..Hα-helixtrans-61.7-37.6-179.5-54.10000111.5F749 T751 L755 C756 Q761 I796 L800F749-T753 WeakPolarHBondContact O-CB 3.46Å; F749-T753 PolarHBondContact O-N 3.45Å; F749-T753 PolarHBondContact O-OG1 3.4Å; T751-T753 PolarHBondContact O-N 3.04Å; T753-L755 PolarHBondContact O-N 3.17Å; T753-C756 WeakPolarHBondContact O-CB 3.45Å; T753-C756 PolarHBondContact O-N 3.01Å; T753-Q761 HydrophobicContact CG2-CG 3.93Å; T753-Q761 PolarHBondContact O-NE2 3.34Å; T753-I796 HydrophobicContact CG2-CG2 4.09Å; T753-I796 WeakPolarHBondContact CG2-O 3.45Å; T753-L800 HydrophobicContact CG2-CD2 3.96Å; T753-L800 HydrophobicContact CG2-CG 4.48Å
754S85.8Confident86.1Confident62 Ų6234.6 Ų34.643%0.43418%0.181SC..Hα-helixtrans-64.8-27.8177.470.90000113.9R750 T751 I752 G799R750-S754 WeakPolarHBondContact O-CB 3.49Å; R750-S754 PolarHBondContact O-N 2.89Å; R750-S754 PolarHBondContact O-OG 3.29Å; T751-S754 PolarHBondContact O-N 3.3Å; T751-S754 PolarHBondContact O-OG 2.8Å; I752-S754 VanDerWaalsContact C-N 3.28Å; I752-S754 PolarHBondContact O-N 3.46Å; S754-G799 WeakPolarHBondContact CA-O 3.33Å
755L83.9Confident86.4Confident60 Ų6032.2 Ų32.231%0.31417%0.171SC..Hα-helixtrans-83.5-23.3177-64.8172.7000112.8L687 H705 T751 I752 T753L687-L755 HydrophobicContact CB-CD1 4.33Å; L687-L755 HydrophobicContact CD1-CD1 4.12Å; H705-L755 WeakPolarHBondContact CE1-CB 3.32Å; H705-L755 WeakPolarHBondContact ND1-CB 3.39Å; H705-L755 PolarHBondContact NE2-O 3Å; T751-L755 HydrophobicContact CG2-CD1 4.4Å; T751-L755 WeakPolarHBondContact O-CG 3.42Å; T751-L755 PolarHBondContact O-N 3.22Å; I752-L755 PolarHBondContact O-N 3.28Å; I752-L755 VanDerWaalsContact O-N 3.08Å; T753-L755 PolarHBondContact O-N 3.17Å
756C85.4Confident86.6Confident0 Ų037.3 Ų37.30%020%0.195CC..SBendtrans-63.9153.5179.2-66.50000113.4H705 F709 I752 T753 E760 Q761 R801H705-C756 PolarHBondContact CE1-N 3.26Å; H705-C756 VanDerWaalsContact CE1-SG 3.58Å; F709-C756 WeakPolarHBondContact CD2-SG 3.19Å; I752-C756 PolarHBondContact O-N 3.25Å; I752-C756 VanDerWaalsContact O-N 3.15Å; I752-C756 PolarHBondContact O-SG 3.14Å; T753-C756 WeakPolarHBondContact O-CB 3.45Å; T753-C756 PolarHBondContact O-N 3.01Å; C756-E760 HydrophobicContact CB-CB 3.79Å; C756-Q761 HydrophobicContact CB-CG 3.66Å; C756-R801 PolarHBondContact O-NE 3.08Å; C756-R801 PolarHBondContact O-NH2 3.09Å; C756-R801 VanDerWaalsContact O-NH2 3.15Å
757N85.2Confident86.7Confident65 Ų6539.2 Ų39.235%0.34820%0.204SC..  trans-77.9169.9166.473.846.9000112S759 E760 Q761N757-S759 VanDerWaalsContact C-N 3.33Å; N757-S759 PolarHBondContact O-N 3.35Å; N757-S759 PolarHBondContact OD1-N 2.78Å; N757-S759 PolarHBondContact OD1-OG 2.5Å; N757-E760 VanDerWaalsContact CG-CD 3.46Å; N757-E760 VanDerWaalsContact CG-OE2 3.24Å; N757-E760 PolarHBondContact N-OE2 3.06Å; N757-E760 PolarHBondContact ND2-OE1 3.33Å; N757-E760 PolarHBondContact ND2-OE2 3.01Å; N757-E760 VanDerWaalsContact ND2-OE2 3.16Å; N757-E760 WeakPolarHBondContact O-CB 3.32Å; N757-E760 PolarHBondContact O-N 3.21Å; N757-E760 WeakPolarHBondContact OD1-CG 3.09Å; N757-E760 PolarHBondContact OD1-N 3.47Å; N757-Q761 WeakPolarHBondContact O-CG 3.35Å; N757-Q761 PolarHBondContact O-N 3.5Å
758L82.7Confident86.8Confident74 Ų7436 Ų3639%0.38719%0.19SC..Hα-helixtrans-58.9-39.9-174.9-17167.4000113.6T762 E803 F804L758-T762 WeakPolarHBondContact O-CB 3.44Å; L758-T762 PolarHBondContact O-N 3.49Å; L758-T762 PolarHBondContact O-OG1 2.75Å; L758-E803 HydrophobicContact CD1-CB 4.25Å; L758-F804 HydrophobicContact CD1-CB 3.57Å; L758-F804 HydrophobicContact CD1-CD2 4.02Å; L758-F804 HydrophobicContact CD1-CG 4.28Å
759S85.1Confident86.8Confident84 Ų8438.1 Ų38.159%0.58720%0.199SC*.Hα-helixtrans-68.6-37.417972.30000112.3N757 T762 K763N757-S759 VanDerWaalsContact C-N 3.33Å; N757-S759 PolarHBondContact O-N 3.35Å; N757-S759 PolarHBondContact OD1-N 2.78Å; N757-S759 PolarHBondContact OD1-OG 2.5Å; S759-T762 WeakPolarHBondContact O-CB 3.45Å; S759-T762 PolarHBondContact O-N 3.42Å; S759-K763 WeakPolarHBondContact O-CB 3.47Å; S759-K763 PolarHBondContact O-N 3.22Å
760E86.3Confident86.6Confident47 Ų4743.3 Ų43.322%0.2222%0.223CC..Hα-helixtrans-69.7-43.4177.3-72.4171.9164.900111.4F709 C756 N757 T762 K763 L764F709-E760 HydrophobicContact CD1-CG 4.15Å; F709-E760 HydrophobicContact CD2-CB 4.39Å; F709-E760 HydrophobicContact CE1-CB 3.83Å; F709-E760 HydrophobicContact CE1-CG 3.49Å; F709-E760 VanDerWaalsContact CE1-CG 3.49Å; F709-E760 HydrophobicContact CE2-CB 3.65Å; F709-E760 HydrophobicContact CE2-CG 4.27Å; F709-E760 WeakPolarHBondContact CE2-O 3.44Å; F709-E760 HydrophobicContact CZ-CB 3.35Å; F709-E760 HydrophobicContact CZ-CG 3.59Å; F709-E760 WeakPolarHBondContact CZ-O 3.46Å; C756-E760 HydrophobicContact CB-CB 3.79Å; N757-E760 VanDerWaalsContact CG-CD 3.46Å; N757-E760 VanDerWaalsContact CG-OE2 3.24Å; N757-E760 PolarHBondContact N-OE2 3.06Å; N757-E760 PolarHBondContact ND2-OE1 3.33Å; N757-E760 PolarHBondContact ND2-OE2 3.01Å; N757-E760 VanDerWaalsContact ND2-OE2 3.16Å; N757-E760 WeakPolarHBondContact O-CB 3.32Å; N757-E760 PolarHBondContact O-N 3.21Å; N757-E760 WeakPolarHBondContact OD1-CG 3.09Å; N757-E760 PolarHBondContact OD1-N 3.47Å; E760-T762 VanDerWaalsContact C-N 3.34Å; E760-T762 PolarHBondContact O-N 3.21Å; E760-K763 PolarHBondContact O-N 3.02Å; E760-L764 WeakPolarHBondContact O-CB 3.45Å; E760-L764 PolarHBondContact O-N 2.72Å
761Q87.1Confident86.2Confident0 Ų044.4 Ų44.40%023%0.228CC..Hα-helixtrans-58.2-46.7172.6-71.6-172.3-8.200111.2T753 C756 N757 K763 L764 F765 G799 L800T753-Q761 HydrophobicContact CG2-CG 3.93Å; T753-Q761 PolarHBondContact O-NE2 3.34Å; C756-Q761 HydrophobicContact CB-CG 3.66Å; N757-Q761 WeakPolarHBondContact O-CG 3.35Å; N757-Q761 PolarHBondContact O-N 3.5Å; Q761-K763 PolarHBondContact O-N 3.32Å; Q761-L764 PolarHBondContact O-N 2.7Å; Q761-F765 VanDerWaalsContact O-CB 3.28Å; Q761-F765 WeakPolarHBondContact O-CB 3.5Å; Q761-F765 PolarHBondContact O-N 2.8Å; Q761-G799 PolarHBondContact NE2-O 2.77Å; Q761-L800 HydrophobicContact CB-CD2 3.96Å; Q761-L800 HydrophobicContact CG-CD2 4.46Å
762T86.9Confident86.1Confident37 Ų3744.9 Ų44.923%0.22723%0.229CC..Hα-helixtrans-57.6-50.2177-53.50000111.2L758 S759 E760 F765 Q766 F804L758-T762 WeakPolarHBondContact O-CB 3.44Å; L758-T762 PolarHBondContact O-N 3.49Å; L758-T762 PolarHBondContact O-OG1 2.75Å; S759-T762 WeakPolarHBondContact O-CB 3.45Å; S759-T762 PolarHBondContact O-N 3.42Å; E760-T762 VanDerWaalsContact C-N 3.34Å; E760-T762 PolarHBondContact O-N 3.21Å; T762-F765 PolarHBondContact O-N 3.21Å; T762-Q766 HydrophobicContact CG2-CG 4.44Å; T762-Q766 WeakPolarHBondContact O-CB 3.03Å; T762-Q766 VanDerWaalsContact O-CG 3.29Å; T762-Q766 WeakPolarHBondContact O-CG 3.45Å; T762-Q766 PolarHBondContact O-N 3.26Å; T762-F804 VanDerWaalsContact CA-CE2 3.46Å; T762-F804 HydrophobicContact CG2-CE2 3.86Å; T762-F804 WeakPolarHBondContact OG1-CD2 3.47Å; T762-F804 WeakPolarHBondContact OG1-CE2 3.41Å
763K88.3Confident85.9Confident96 Ų9649.5 Ų49.542%0.41725%0.254SS..Hα-helixtrans-60.9-47.8-179.4-176.2177.9176.8-170.10111.4Q713 S759 E760 Q761 Q766 I767Q713-K763 VanDerWaalsContact OE1-CE 3.26Å; S759-K763 WeakPolarHBondContact O-CB 3.47Å; S759-K763 PolarHBondContact O-N 3.22Å; E760-K763 PolarHBondContact O-N 3.02Å; Q761-K763 PolarHBondContact O-N 3.32Å; K763-Q766 PolarHBondContact O-N 2.81Å; K763-I767 HydrophobicContact CG-CD1 3.8Å; K763-I767 WeakPolarHBondContact O-CB 3.19Å; K763-I767 WeakPolarHBondContact O-CD1 3.22Å; K763-I767 WeakPolarHBondContact O-CG1 3.21Å; K763-I767 PolarHBondContact O-N 2.92Å
764L88.1Confident85.5Confident0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-64.8-44.6-179.3-17265.2000111.8F709 C712 E760 Q761 I767 Y768 I796F709-L764 HydrophobicContact CE2-CB 4.07Å; F709-L764 HydrophobicContact CE2-CD2 4.48Å; C712-L764 HydrophobicContact CB-CD1 4.03Å; E760-L764 WeakPolarHBondContact O-CB 3.45Å; E760-L764 PolarHBondContact O-N 2.72Å; Q761-L764 PolarHBondContact O-N 2.7Å; L764-I767 PolarHBondContact O-N 3.34Å; L764-Y768 HydrophobicContact CD1-CD2 3.89Å; L764-Y768 HydrophobicContact CD1-CE2 3.68Å; L764-Y768 HydrophobicContact CG-CD2 4.37Å; L764-Y768 WeakPolarHBondContact O-CD2 3.39Å; L764-Y768 PolarHBondContact O-N 3.48Å; L764-Y768 VanDerWaalsContact O-N 3.15Å; L764-I796 HydrophobicContact CD2-CD1 4.42Å; L764-I796 HydrophobicContact CD2-CG1 4.28Å; L764-I796 HydrophobicContact CG-CD1 4.1Å; L764-I796 HydrophobicContact CG-CG1 4.47Å
765F89.4Confident84.8Confident9 Ų955.4 Ų55.44%0.03928%0.276CS..Hα-helixtrans-59.7-50.8176.5177.8-106.3000111.5Q761 T762 I767 Y768 K769 L793 I796 I797 L800 F804 E808 L813Q761-F765 VanDerWaalsContact O-CB 3.28Å; Q761-F765 WeakPolarHBondContact O-CB 3.5Å; Q761-F765 PolarHBondContact O-N 2.8Å; T762-F765 PolarHBondContact O-N 3.21Å; F765-I767 VanDerWaalsContact C-N 3.34Å; F765-I767 PolarHBondContact O-N 2.81Å; F765-Y768 PolarHBondContact O-N 3.15Å; F765-K769 HydrophobicContact CZ-CG 4.42Å; F765-K769 WeakPolarHBondContact O-CB 3.27Å; F765-K769 PolarHBondContact O-N 3.17Å; F765-L793 HydrophobicContact CD2-CD1 4.12Å; F765-L793 HydrophobicContact CE2-CD1 4.19Å; F765-I796 HydrophobicContact CB-CG2 4.32Å; F765-I796 HydrophobicContact CD2-CG2 4.4Å; F765-I797 HydrophobicContact CD2-CG1 4.29Å; F765-I797 HydrophobicContact CE2-CD1 4.28Å; F765-I797 HydrophobicContact CE2-CG1 3.87Å; F765-L800 HydrophobicContact CB-CD2 4.48Å; F765-L800 HydrophobicContact CD2-CD1 4.26Å; F765-F804 HydrophobicContact CB-CE1 4.34Å; F765-F804 HydrophobicContact CB-CZ 4.18Å; F765-F804 AromaticContact CD1-CE1 3.86Å; F765-F804 HydrophobicContact CD1-CE1 3.86Å; F765-F804 AromaticContact CD1-CZ 3.7Å; F765-F804 HydrophobicContact CD1-CZ 3.7Å; F765-F804 HydrophobicContact CE1-CE1 4.34Å; F765-F804 HydrophobicContact CE1-CZ 4.4Å; F765-F804 HydrophobicContact CG-CE1 4.06Å; F765-F804 HydrophobicContact CG-CZ 4.13Å; F765-E808 HydrophobicContact CE1-CG 4.36Å; F765-L813 HydrophobicContact CE1-CD2 4.44Å; F765-L813 HydrophobicContact CE2-CD2 3.99Å; F765-L813 HydrophobicContact CZ-CD2 3.57Å
766Q88.8Confident83.6Confident108 Ų10856.8 Ų56.851%0.50528%0.283SS..Hα-helixtrans-60.6-41.6179.6-74177.7-4.300112.6T762 K763 H770T762-Q766 HydrophobicContact CG2-CG 4.44Å; T762-Q766 WeakPolarHBondContact O-CB 3.03Å; T762-Q766 VanDerWaalsContact O-CG 3.29Å; T762-Q766 WeakPolarHBondContact O-CG 3.45Å; T762-Q766 PolarHBondContact O-N 3.26Å; K763-Q766 PolarHBondContact O-N 2.81Å; Q766-H770 WeakPolarHBondContact O-CB 3.41Å; Q766-H770 PolarHBondContact O-N 3.49Å
767I87.4Confident82.5Confident44 Ų4465 Ų6523%0.22631%0.314CS..Hα-helixtrans-59.5-53.2178.5-76.3169000111Q713 V715 K763 L764 F765 Y771Q713-I767 HydrophobicContact CB-CD1 4.39Å; Q713-I767 HydrophobicContact CG-CD1 4.31Å; V715-I767 HydrophobicContact CG2-CG2 3.13Å; K763-I767 HydrophobicContact CG-CD1 3.8Å; K763-I767 WeakPolarHBondContact O-CB 3.19Å; K763-I767 WeakPolarHBondContact O-CD1 3.22Å; K763-I767 WeakPolarHBondContact O-CG1 3.21Å; K763-I767 PolarHBondContact O-N 2.92Å; L764-I767 PolarHBondContact O-N 3.34Å; F765-I767 VanDerWaalsContact C-N 3.34Å; F765-I767 PolarHBondContact O-N 2.81Å; I767-Y771 PolarHBondContact O-N 2.79Å; I767-Y771 VanDerWaalsContact O-N 3.14Å
768Y88.1Confident80.9Confident3 Ų368.7 Ų68.71%0.01233%0.334CS..Hα-helixtrans-71-37.2-178.5-85.5-98.1000112.2C712 V715 F718 F749 L764 F765 Y771 F772 L789 T792 I796C712-Y768 VanDerWaalsContact O-CE2 3.26Å; C712-Y768 WeakPolarHBondContact O-CE2 3.5Å; C712-Y768 PolarHBondContact O-OH 3.19Å; V715-Y768 HydrophobicContact CG1-CD1 4.49Å; V715-Y768 HydrophobicContact CG1-CE1 4.22Å; V715-Y768 HydrophobicContact CG2-CD1 4.42Å; V715-Y768 HydrophobicContact CG2-CD2 3.91Å; V715-Y768 HydrophobicContact CG2-CE1 4.24Å; V715-Y768 HydrophobicContact CG2-CE2 3.69Å; V715-Y768 HydrophobicContact CG2-CG 4.26Å; F718-Y768 WeakPolarHBondContact CD2-OH 3.05Å; F749-Y768 HydrophobicContact CE1-CE1 4.13Å; F749-Y768 AromaticContact CE1-CE2 3.74Å; F749-Y768 HydrophobicContact CE1-CE2 3.74Å; F749-Y768 AromaticContact CE1-CZ 3.45Å; F749-Y768 VanDerWaalsContact CE1-CZ 3.45Å; F749-Y768 VanDerWaalsContact CE1-OH 3.31Å; F749-Y768 WeakPolarHBondContact CE1-OH 3.1Å; F749-Y768 HydrophobicContact CZ-CE1 4.28Å; F749-Y768 HydrophobicContact CZ-CE2 4.4Å; F749-Y768 AromaticContact CZ-CZ 3.7Å; F749-Y768 WeakPolarHBondContact CZ-OH 3.15Å; L764-Y768 HydrophobicContact CD1-CD2 3.89Å; L764-Y768 HydrophobicContact CD1-CE2 3.68Å; L764-Y768 HydrophobicContact CG-CD2 4.37Å; L764-Y768 WeakPolarHBondContact O-CD2 3.39Å; L764-Y768 PolarHBondContact O-N 3.48Å; L764-Y768 VanDerWaalsContact O-N 3.15Å; F765-Y768 PolarHBondContact O-N 3.15Å; Y768-Y771 PolarHBondContact O-N 3.43Å; Y768-F772 VanDerWaalsContact O-CB 3.25Å; Y768-F772 WeakPolarHBondContact O-CB 3.26Å; Y768-F772 PolarHBondContact O-N 3.45Å; Y768-L789 HydrophobicContact CD1-CD2 4.36Å; Y768-L789 HydrophobicContact CE1-CD2 4.43Å; Y768-T792 HydrophobicContact CD1-CG2 4.13Å; Y768-T792 HydrophobicContact CE1-CG2 3.73Å; Y768-I796 HydrophobicContact CD1-CD1 4.11Å; Y768-I796 HydrophobicContact CD2-CD1 3.64Å; Y768-I796 HydrophobicContact CE2-CD1 4.27Å; Y768-I796 HydrophobicContact CG-CD1 3.56Å
769K85.9Confident79.2Confident44 Ų4471.1 Ų71.119%0.19134%0.343CS..Hα-helixtrans-63.3-45176.8-178.358.6174.2135.20111.6F765 F772 D773 L793 F816F765-K769 HydrophobicContact CZ-CG 4.42Å; F765-K769 WeakPolarHBondContact O-CB 3.27Å; F765-K769 PolarHBondContact O-N 3.17Å; K769-F772 PolarHBondContact O-N 2.72Å; K769-D773 VanDerWaalsContact CE-OD2 3.3Å; K769-D773 WeakPolarHBondContact CE-OD2 3.03Å; K769-D773 VanDerWaalsContact NZ-CG 3.25Å; K769-D773 IonicContact NZ-OD1 3.84Å; K769-D773 PolarHBondContact NZ-OD1 3.35Å; K769-D773 IonicContact NZ-OD2 2.71Å; K769-D773 PolarHBondContact NZ-OD2 2.85Å; K769-D773 WeakPolarHBondContact O-CB 3.24Å; K769-D773 VanDerWaalsContact O-CG 3.28Å; K769-D773 PolarHBondContact O-N 3.45Å; K769-L793 HydrophobicContact CD-CD2 4.32Å; K769-F816 HydrophobicContact CD-CE2 4.08Å; K769-F816 HydrophobicContact CD-CZ 4.19Å
770H86Confident77.3Confident108 Ų10875.2 Ų75.250%0.536%0.358SS..Hα-helixtrans-61.1-45.9175.7-177.176.2000112.2Q766 D773 Q774Q766-H770 WeakPolarHBondContact O-CB 3.41Å; Q766-H770 PolarHBondContact O-N 3.49Å; H770-D773 PolarHBondContact O-N 3.48Å; H770-Q774 PolarHBondContact CE1-NE2 3.31Å; H770-Q774 PolarHBondContact NE2-NE2 3.42Å; H770-Q774 WeakPolarHBondContact O-CG 3.08Å; H770-Q774 PolarHBondContact O-N 3.44Å; H770-Q774 VanDerWaalsContact O-N 3.15Å
771Y81.7Confident75.4Confident82 Ų8282.6 Ų82.632%0.32239%0.389SS..Hα-helixtrans-63.6-41176.4-103.6-82.2000112.5V715 K716 I767 Y768 Q774 M775V715-Y771 HydrophobicContact CB-CD2 3.93Å; V715-Y771 HydrophobicContact CB-CE2 4.09Å; V715-Y771 HydrophobicContact CB-CG 4.24Å; V715-Y771 HydrophobicContact CG1-CD1 4.03Å; V715-Y771 HydrophobicContact CG1-CD2 3.93Å; V715-Y771 HydrophobicContact CG1-CE2 4.41Å; V715-Y771 HydrophobicContact CG1-CG 3.71Å; V715-Y771 HydrophobicContact CG2-CD2 3.91Å; V715-Y771 HydrophobicContact CG2-CE2 4.33Å; V715-Y771 HydrophobicContact CG2-CG 4.45Å; K716-Y771 VanDerWaalsContact CE-OH 3.29Å; K716-Y771 WeakPolarHBondContact CE-OH 3.49Å; I767-Y771 PolarHBondContact O-N 2.79Å; I767-Y771 VanDerWaalsContact O-N 3.14Å; Y768-Y771 PolarHBondContact O-N 3.43Å; Y771-Q774 PolarHBondContact O-N 2.65Å; Y771-M775 WeakPolarHBondContact O-CG 3.43Å
772F83.7Confident73.7Confident19 Ų1985 Ų858%0.08340%0.401CS..Hα-helixtrans-63.9-43.7176.8-176.7-99.1000111.8Y768 K769 Q774 M775 T786 L789 F790 L793 F816Y768-F772 VanDerWaalsContact O-CB 3.25Å; Y768-F772 WeakPolarHBondContact O-CB 3.26Å; Y768-F772 PolarHBondContact O-N 3.45Å; K769-F772 PolarHBondContact O-N 2.72Å; F772-Q774 VanDerWaalsContact C-N 3.32Å; F772-Q774 PolarHBondContact O-N 3.09Å; F772-M775 PolarHBondContact O-N 2.98Å; F772-T786 HydrophobicContact CE2-CG2 3.93Å; F772-L789 HydrophobicContact CD2-CB 4.16Å; F772-F790 HydrophobicContact CE2-CB 3.78Å; F772-F790 HydrophobicContact CE2-CD2 4.33Å; F772-F790 HydrophobicContact CE2-CG 4.48Å; F772-F790 HydrophobicContact CZ-CB 4.24Å; F772-F790 HydrophobicContact CZ-CD2 4.03Å; F772-F790 HydrophobicContact CZ-CG 4.48Å; F772-L793 HydrophobicContact CB-CD2 4.42Å; F772-L793 HydrophobicContact CD1-CD2 4.36Å; F772-L793 HydrophobicContact CG-CD2 4.29Å; F772-F816 HydrophobicContact CD1-CE2 4.07Å; F772-F816 AromaticContact CD1-CZ 3.86Å; F772-F816 HydrophobicContact CD1-CZ 3.86Å; F772-F816 AromaticContact CE1-CE2 3.89Å; F772-F816 HydrophobicContact CE1-CE2 3.89Å; F772-F816 AromaticContact CE1-CZ 3.74Å; F772-F816 HydrophobicContact CE1-CZ 3.74Å
773D80.9Confident72.5Confident98 Ų9886 Ų8652%0.52440%0.403SS..Hα-helixtrans-70.9-24-179-69.8-23.6000113.4K769 H770K769-D773 VanDerWaalsContact CE-OD2 3.3Å; K769-D773 WeakPolarHBondContact CE-OD2 3.03Å; K769-D773 VanDerWaalsContact NZ-CG 3.25Å; K769-D773 IonicContact NZ-OD1 3.84Å; K769-D773 PolarHBondContact NZ-OD1 3.35Å; K769-D773 IonicContact NZ-OD2 2.71Å; K769-D773 PolarHBondContact NZ-OD2 2.85Å; K769-D773 WeakPolarHBondContact O-CB 3.24Å; K769-D773 VanDerWaalsContact O-CG 3.28Å; K769-D773 PolarHBondContact O-N 3.45Å; H770-D773 PolarHBondContact O-N 3.48Å
774Q78.8Confident71.4Confident127 Ų12783.4 Ų83.459%0.59340%0.396SS*.Hα-helixtrans-80.5-14.6176.4-77.8-174.1-7.800114.7H770 Y771 F772 D776H770-Q774 PolarHBondContact CE1-NE2 3.31Å; H770-Q774 PolarHBondContact NE2-NE2 3.42Å; H770-Q774 WeakPolarHBondContact O-CG 3.08Å; H770-Q774 PolarHBondContact O-N 3.44Å; H770-Q774 VanDerWaalsContact O-N 3.15Å; Y771-Q774 PolarHBondContact O-N 2.65Å; F772-Q774 VanDerWaalsContact C-N 3.32Å; F772-Q774 PolarHBondContact O-N 3.09Å; Q774-D776 PolarHBondContact O-N 3.04Å
775M72.3Confident70.6Confident59 Ų5984.3 Ų84.329%0.29140%0.401SS..SBendtrans-71.4128.2-178.8-70-115.574.300111.1Y771 F772 R777 I782 L789Y771-M775 WeakPolarHBondContact O-CG 3.43Å; F772-M775 PolarHBondContact O-N 2.98Å; M775-R777 PolarHBondContact O-N 2.93Å; M775-I782 HydrophobicContact CE-CG2 4.16Å; M775-I782 HydrophobicContact SD-CG2 4.3Å; M775-L789 HydrophobicContact CG-CD1 4.34Å; M775-L789 HydrophobicContact SD-CD1 3.92Å
776D58.7Low69.8Low88 Ų8885.1 Ų85.147%0.47141%0.407SS..  trans-70116.2175.2-170.4-4.1000110.7Q774 N778Q774-D776 PolarHBondContact O-N 3.04Å; D776-N778 VanDerWaalsContact C-N 3.34Å; D776-N778 PolarHBondContact O-N 2.87Å; D776-N778 PolarHBondContact OD1-N 3.18Å
777R61Low69.1Low172 Ų17280.6 Ų80.665%0.64939%0.386SS*.THydrogen-bonded Turntrans-77.5-14-174.3-71.2-176.9-77.8-158.9-7.3114M775 H779M775-R777 PolarHBondContact O-N 2.93Å; R777-H779 PolarHBondContact O-N 3.06Å
778N51.4Low68.6Low143 Ų14378.5 Ų78.577%0.76538%0.376SS*.THydrogen-bonded Turntrans-84.1-8.6-168.2-69.2-22.5000114.7D776D776-N778 VanDerWaalsContact C-N 3.34Å; D776-N778 PolarHBondContact O-N 2.87Å; D776-N778 PolarHBondContact OD1-N 3.18Å
779H47.1Very low68.4Low125 Ų12578.5 Ų78.558%0.57938%0.376SS*.  trans-98111.7-179.7-84.1-44.8000112.8R777 K781 I782R777-H779 PolarHBondContact O-N 3.06Å; H779-K781 PolarHBondContact O-N 3.34Å; H779-I782 HydrophobicContact CB-CD1 3.97Å; H779-I782 HydrophobicContact CB-CG1 4.18Å; H779-I782 PolarHBondContact O-N 3.1Å
780L45Very low68.4Low171 Ų17176.6 Ų76.690%0.89537%0.368SS*.G310 helixtrans-49.4-27.9176.1-105.3119.8000114.6I782L780-I782 VanDerWaalsContact C-N 3.29Å; L780-I782 PolarHBondContact O-N 2.95Å
781K46.5Very low68.2Low202 Ų20271.5 Ų71.588%0.87834%0.344SS*.G310 helixtrans-72.2-14.5178-74.3-172.9175.3-175.60114.5H779H779-K781 PolarHBondContact O-N 3.34Å
782I51.3Low68.5Low49 Ų4967.6 Ų67.625%0.25133%0.329SS..G310 helixtrans-100.4-1.1-175.4-53.5176.8000111.8M775 H779 L780 V785 T786M775-I782 HydrophobicContact CE-CG2 4.16Å; M775-I782 HydrophobicContact SD-CG2 4.3Å; H779-I782 HydrophobicContact CB-CD1 3.97Å; H779-I782 HydrophobicContact CB-CG1 4.18Å; H779-I782 PolarHBondContact O-N 3.1Å; L780-I782 VanDerWaalsContact C-N 3.29Å; L780-I782 PolarHBondContact O-N 2.95Å; I782-V785 PolarHBondContact O-N 3.43Å; I782-T786 PolarHBondContact O-N 3.07Å; I782-T786 PolarHBondContact O-OG1 3.37Å
783H61.7Low68.7Low60 Ų6066.7 Ų66.728%0.27833%0.325SS..Hα-helixtrans-57.5-45.1-174.2-167-77.4000114.6V785 T786 L787 T824H783-V785 PolarHBondContact O-N 2.99Å; H783-T786 PolarHBondContact O-N 3.12Å; H783-L787 VanDerWaalsContact O-CB 3.3Å; H783-L787 WeakPolarHBondContact O-CB 3.4Å; H783-L787 PolarHBondContact O-N 3.32Å; H783-T824 WeakPolarHBondContact NE2-CG2 3.41Å
784P65.4Low69.2Low41 Ų4162 Ų6227%0.26630%0.3SS..Hα-helixtrans-68.5-36.4-178.8-2033.6000113.5C726 L787 G788C726-P784 HydrophobicContact CB-CB 3.79Å; C726-P784 HydrophobicContact CB-CG 4.46Å; C726-P784 WeakPolarHBondContact SG-CB 3.39Å; P784-L787 PolarHBondContact O-N 2.69Å; P784-G788 PolarHBondContact O-N 3.13Å
785V70.8Confident69.6Low18 Ų1856 Ų5611%0.10927%0.271CS..Hα-helixtrans-69-43177.8-179.90000110.2V719 I722 Q723 C726 I782 H783 L787 G788 L789V719-V785 HydrophobicContact CG1-CG1 4.2Å; I722-V785 HydrophobicContact CG2-CB 4.44Å; I722-V785 HydrophobicContact CG2-CG1 4.4Å; I722-V785 HydrophobicContact CG2-CG2 4.38Å; Q723-V785 HydrophobicContact CB-CG2 4.35Å; C726-V785 HydrophobicContact CB-CG2 4.46Å; I782-V785 PolarHBondContact O-N 3.43Å; H783-V785 PolarHBondContact O-N 2.99Å; V785-L787 VanDerWaalsContact C-N 3.27Å; V785-L787 PolarHBondContact O-N 2.71Å; V785-G788 PolarHBondContact O-N 2.92Å; V785-L789 HydrophobicContact CG1-CD1 4.42Å; V785-L789 WeakPolarHBondContact O-CB 3.32Å; V785-L789 WeakPolarHBondContact O-CG 3.26Å; V785-L789 PolarHBondContact O-N 3.37Å
786T73.1Confident70.4Confident27 Ų2753.1 Ų53.117%0.16626%0.258CS..Hα-helixtrans-59.5-41.6174.1-50.80000110.8F772 I782 H783 L789 F790F772-T786 HydrophobicContact CE2-CG2 3.93Å; I782-T786 PolarHBondContact O-N 3.07Å; I782-T786 PolarHBondContact O-OG1 3.37Å; H783-T786 PolarHBondContact O-N 3.12Å; T786-L789 PolarHBondContact O-N 3.08Å; T786-F790 WeakPolarHBondContact O-CB 3.3Å; T786-F790 PolarHBondContact O-N 3.06Å
787L74.9Confident71.9Confident13 Ų1349 Ų497%0.06824%0.235CC..Hα-helixtrans-66.8-44.5177.4179.859.8000112.3H783 P784 V785 L789 F790 T791 Y851 M855H783-L787 VanDerWaalsContact O-CB 3.3Å; H783-L787 WeakPolarHBondContact O-CB 3.4Å; H783-L787 PolarHBondContact O-N 3.32Å; P784-L787 PolarHBondContact O-N 2.69Å; V785-L787 VanDerWaalsContact C-N 3.27Å; V785-L787 PolarHBondContact O-N 2.71Å; L787-L789 VanDerWaalsContact C-N 3.33Å; L787-L789 PolarHBondContact O-N 3.47Å; L787-F790 PolarHBondContact O-N 3.02Å; L787-T791 WeakPolarHBondContact O-CB 3.5Å; L787-T791 PolarHBondContact O-N 3.06Å; L787-T791 PolarHBondContact O-OG1 3.09Å; L787-T791 VanDerWaalsContact O-OG1 3.1Å; L787-Y851 HydrophobicContact CD1-CD1 4.16Å; L787-Y851 HydrophobicContact CD1-CE1 3.36Å; L787-Y851 HydrophobicContact CD2-CE1 4.19Å; L787-Y851 HydrophobicContact CG-CE1 4.4Å; L787-M855 HydrophobicContact CD1-CE 3.63Å; L787-M855 HydrophobicContact CD1-SD 4.07Å; L787-M855 HydrophobicContact CD2-CE 3.79Å; L787-M855 HydrophobicContact CD2-SD 4.23Å; L787-M855 HydrophobicContact CG-CE 3.94Å; L787-M855 HydrophobicContact CG-SD 4.02Å
788G77Confident73.1Confident0 Ų040.9 Ų40.90%021%0.205CC..Hα-helixtrans-61.7-40.6175.100000112.6P784 V785 T791 T792P784-G788 PolarHBondContact O-N 3.13Å; V785-G788 PolarHBondContact O-N 2.92Å; G788-T791 PolarHBondContact O-N 3.37Å; G788-T792 WeakPolarHBondContact O-CB 3.33Å; G788-T792 PolarHBondContact O-N 3.17Å; G788-T792 PolarHBondContact O-OG1 3.47Å
789L82.5Confident74.8Confident3 Ų334.3 Ų34.32%0.01617%0.171CC..Hα-helixtrans-64.2-42.8172.8-80.1174.4000112.3V715 V719 Y768 F772 M775 V785 T786 L787 T792 L793V715-L789 HydrophobicContact CG1-CD2 4.43Å; V719-L789 HydrophobicContact CG2-CD1 4.1Å; V719-L789 HydrophobicContact CG2-CD2 3.73Å; V719-L789 HydrophobicContact CG2-CG 4.22Å; Y768-L789 HydrophobicContact CD1-CD2 4.36Å; Y768-L789 HydrophobicContact CE1-CD2 4.43Å; F772-L789 HydrophobicContact CD2-CB 4.16Å; M775-L789 HydrophobicContact CG-CD1 4.34Å; M775-L789 HydrophobicContact SD-CD1 3.92Å; V785-L789 HydrophobicContact CG1-CD1 4.42Å; V785-L789 WeakPolarHBondContact O-CB 3.32Å; V785-L789 WeakPolarHBondContact O-CG 3.26Å; V785-L789 PolarHBondContact O-N 3.37Å; T786-L789 PolarHBondContact O-N 3.08Å; L787-L789 VanDerWaalsContact C-N 3.33Å; L787-L789 PolarHBondContact O-N 3.47Å; L789-T792 PolarHBondContact O-N 3.34Å; L789-L793 WeakPolarHBondContact O-CB 3.36Å; L789-L793 PolarHBondContact O-N 3.49Å
790F85.6Confident76.9Confident4 Ų428.3 Ų28.32%0.01814%0.144CC..Hα-helixtrans-62.4-45.4175.9-178.9-120.2000111.7F772 T786 L787 T792 L793 C794 F816 N820 I821 I859F772-F790 HydrophobicContact CE2-CB 3.78Å; F772-F790 HydrophobicContact CE2-CD2 4.33Å; F772-F790 HydrophobicContact CE2-CG 4.48Å; F772-F790 HydrophobicContact CZ-CB 4.24Å; F772-F790 HydrophobicContact CZ-CD2 4.03Å; F772-F790 HydrophobicContact CZ-CG 4.48Å; T786-F790 WeakPolarHBondContact O-CB 3.3Å; T786-F790 PolarHBondContact O-N 3.06Å; L787-F790 PolarHBondContact O-N 3.02Å; F790-T792 VanDerWaalsContact C-N 3.31Å; F790-T792 PolarHBondContact O-N 3Å; F790-L793 PolarHBondContact O-N 3.36Å; F790-C794 PolarHBondContact O-N 2.91Å; F790-C794 PolarHBondContact O-SG 3.15Å; F790-C794 VanDerWaalsContact O-SG 3.39Å; F790-F816 HydrophobicContact CE2-CE1 4.21Å; F790-N820 HydrophobicContact CD2-CB 4.02Å; F790-N820 HydrophobicContact CE2-CB 3.5Å; F790-N820 VanDerWaalsContact CE2-CB 3.5Å; F790-N820 HydrophobicContact CZ-CB 3.79Å; F790-I821 HydrophobicContact CE1-CB 4.35Å; F790-I821 HydrophobicContact CE1-CD1 4.28Å; F790-I821 HydrophobicContact CZ-CB 4.44Å; F790-I859 HydrophobicContact CD1-CD1 4.2Å; F790-I859 HydrophobicContact CE1-CD1 3.92Å; F790-I859 HydrophobicContact CE1-CG1 4.34Å; F790-I859 HydrophobicContact CE1-CG2 4.13Å; F790-I859 HydrophobicContact CZ-CG2 4.36Å
791T83.2Confident78.8Confident0 Ų025 Ų250%012%0.119CC..Hα-helixtrans-62.4-38.4176.9-64.10000112I742 N746 L787 G788 C794 G795 M855I742-T791 HydrophobicContact CG2-CG2 4.26Å; N746-T791 HydrophobicContact CB-CG2 3.89Å; N746-T791 PolarHBondContact ND2-O 3.41Å; L787-T791 WeakPolarHBondContact O-CB 3.5Å; L787-T791 PolarHBondContact O-N 3.06Å; L787-T791 PolarHBondContact O-OG1 3.09Å; L787-T791 VanDerWaalsContact O-OG1 3.1Å; G788-T791 PolarHBondContact O-N 3.37Å; T791-C794 PolarHBondContact O-N 3.4Å; T791-G795 PolarHBondContact O-N 2.91Å; T791-M855 HydrophobicContact CG2-CG 4.01Å; T791-M855 HydrophobicContact CG2-SD 4.48Å; T791-M855 WeakPolarHBondContact OG1-CG 3.41Å; T791-M855 PolarHBondContact OG1-SD 3.3Å
792T86.6Confident80.6Confident0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-65-45.5173.8-56.60000111.2F749 Y768 G788 L789 F790 C794 G795 I796F749-T792 HydrophobicContact CB-CG2 4.32Å; F749-T792 HydrophobicContact CD1-CG2 3.78Å; F749-T792 HydrophobicContact CD2-CG2 3.5Å; F749-T792 VanDerWaalsContact CD2-CG2 3.5Å; F749-T792 HydrophobicContact CE1-CG2 3.9Å; F749-T792 HydrophobicContact CE2-CG2 3.62Å; F749-T792 HydrophobicContact CG-CG2 3.57Å; F749-T792 HydrophobicContact CZ-CG2 3.83Å; Y768-T792 HydrophobicContact CD1-CG2 4.13Å; Y768-T792 HydrophobicContact CE1-CG2 3.73Å; G788-T792 WeakPolarHBondContact O-CB 3.33Å; G788-T792 PolarHBondContact O-N 3.17Å; G788-T792 PolarHBondContact O-OG1 3.47Å; L789-T792 PolarHBondContact O-N 3.34Å; F790-T792 VanDerWaalsContact C-N 3.31Å; F790-T792 PolarHBondContact O-N 3Å; T792-C794 VanDerWaalsContact C-N 3.32Å; T792-C794 PolarHBondContact O-N 3.26Å; T792-G795 WeakPolarHBondContact O-CA 3.3Å; T792-G795 PolarHBondContact O-N 2.98Å; T792-I796 PolarHBondContact O-N 3.27Å
793L89.7Confident82.2Confident0 Ų021.1 Ų21.10%011%0.108CC..Hα-helixtrans-63.3-37.5176.8-17464.3000111.8F765 K769 F772 L789 F790 G795 I796 I797 F816F765-L793 HydrophobicContact CD2-CD1 4.12Å; F765-L793 HydrophobicContact CE2-CD1 4.19Å; K769-L793 HydrophobicContact CD-CD2 4.32Å; F772-L793 HydrophobicContact CB-CD2 4.42Å; F772-L793 HydrophobicContact CD1-CD2 4.36Å; F772-L793 HydrophobicContact CG-CD2 4.29Å; L789-L793 WeakPolarHBondContact O-CB 3.36Å; L789-L793 PolarHBondContact O-N 3.49Å; F790-L793 PolarHBondContact O-N 3.36Å; L793-G795 VanDerWaalsContact C-N 3.31Å; L793-G795 PolarHBondContact O-N 3.46Å; L793-I796 HydrophobicContact CD1-CD1 4.48Å; L793-I796 WeakPolarHBondContact O-CB 3.46Å; L793-I796 PolarHBondContact O-N 2.92Å; L793-I797 HydrophobicContact CG-CD1 4.13Å; L793-I797 VanDerWaalsContact O-CG1 3.26Å; L793-I797 WeakPolarHBondContact O-CG1 3.19Å; L793-I797 PolarHBondContact O-N 3.29Å; L793-F816 HydrophobicContact CD2-CE1 3.43Å; L793-F816 VanDerWaalsContact CD2-CE1 3.43Å; L793-F816 HydrophobicContact CD2-CZ 3.32Å; L793-F816 HydrophobicContact CG-CE1 4.24Å
794C89.6Confident83.3Confident0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-62.5-38.5170.7-74.30000111.7F790 T791 T792 I797 G798 I859 T862F790-C794 PolarHBondContact O-N 2.91Å; F790-C794 PolarHBondContact O-SG 3.15Å; F790-C794 VanDerWaalsContact O-SG 3.39Å; T791-C794 PolarHBondContact O-N 3.4Å; T792-C794 VanDerWaalsContact C-N 3.32Å; T792-C794 PolarHBondContact O-N 3.26Å; C794-I797 PolarHBondContact O-N 3.12Å; C794-G798 PolarHBondContact O-N 3.45Å; C794-I859 HydrophobicContact CB-CG1 4.46Å; C794-T862 HydrophobicContact CB-CG2 4.03Å; C794-T862 WeakPolarHBondContact O-CG2 3.45Å; C794-T862 PolarHBondContact O-OG1 3.48Å
795G87Confident84.3Confident0 Ų016.4 Ų16.40%08%0.083CC..Hα-helixtrans-58.3-49172.200000111.5N746 R750 T791 T792 L793 G798 G799N746-G795 WeakPolarHBondContact ND2-CA 3.49Å; N746-G795 PolarHBondContact ND2-N 3.24Å; N746-G795 WeakPolarHBondContact O-CA 3.46Å; R750-G795 WeakPolarHBondContact CA-O 3.4Å; R750-G795 WeakPolarHBondContact CB-O 3.41Å; T791-G795 PolarHBondContact O-N 2.91Å; T792-G795 WeakPolarHBondContact O-CA 3.3Å; T792-G795 PolarHBondContact O-N 2.98Å; L793-G795 VanDerWaalsContact C-N 3.31Å; L793-G795 PolarHBondContact O-N 3.46Å; G795-G798 PolarHBondContact O-N 3.03Å; G795-G799 PolarHBondContact O-N 3.04Å; G795-G799 VanDerWaalsContact O-N 3.15Å
796I90Very high85Confident0 Ų016.6 Ų16.60%08%0.083CC..Hα-helixtrans-56.5-53.8174.8-62.6168.5000110.1F749 T753 L764 F765 Y768 T792 L793 G798 G799 L800F749-I796 HydrophobicContact CB-CG1 4.05Å; F749-I796 HydrophobicContact CD1-CD1 3.89Å; F749-I796 HydrophobicContact CD1-CG1 3.68Å; F749-I796 HydrophobicContact CE1-CD1 4.41Å; F749-I796 HydrophobicContact CG-CG1 4.27Å; T753-I796 HydrophobicContact CG2-CG2 4.09Å; T753-I796 WeakPolarHBondContact CG2-O 3.45Å; L764-I796 HydrophobicContact CD2-CD1 4.42Å; L764-I796 HydrophobicContact CD2-CG1 4.28Å; L764-I796 HydrophobicContact CG-CD1 4.1Å; L764-I796 HydrophobicContact CG-CG1 4.47Å; F765-I796 HydrophobicContact CB-CG2 4.32Å; F765-I796 HydrophobicContact CD2-CG2 4.4Å; Y768-I796 HydrophobicContact CD1-CD1 4.11Å; Y768-I796 HydrophobicContact CD2-CD1 3.64Å; Y768-I796 HydrophobicContact CE2-CD1 4.27Å; Y768-I796 HydrophobicContact CG-CD1 3.56Å; T792-I796 PolarHBondContact O-N 3.27Å; L793-I796 HydrophobicContact CD1-CD1 4.48Å; L793-I796 WeakPolarHBondContact O-CB 3.46Å; L793-I796 PolarHBondContact O-N 2.92Å; I796-G798 VanDerWaalsContact C-N 3.27Å; I796-G798 PolarHBondContact O-N 3.28Å; I796-G799 CarbonylContact O-C 3.58Å; I796-G799 WeakPolarHBondContact O-CA 3.33Å; I796-G799 PolarHBondContact O-N 2.85Å; I796-L800 HydrophobicContact CG2-CD2 4.36Å; I796-L800 WeakPolarHBondContact O-CG 3.22Å; I796-L800 PolarHBondContact O-N 3.44Å; I796-L800 VanDerWaalsContact O-N 3.15Å
797I90.7Very high85.6Confident0 Ų019.2 Ų19.20%010%0.103CC..Hα-helixtrans-57.1-41.9-179.1-66.6164.2000111.3F765 L793 C794 G799 L800 F816 I817 T862 V866F765-I797 HydrophobicContact CD2-CG1 4.29Å; F765-I797 HydrophobicContact CE2-CD1 4.28Å; F765-I797 HydrophobicContact CE2-CG1 3.87Å; L793-I797 HydrophobicContact CG-CD1 4.13Å; L793-I797 VanDerWaalsContact O-CG1 3.26Å; L793-I797 WeakPolarHBondContact O-CG1 3.19Å; L793-I797 PolarHBondContact O-N 3.29Å; C794-I797 PolarHBondContact O-N 3.12Å; I797-G799 PolarHBondContact O-N 2.93Å; I797-L800 HydrophobicContact CB-CD1 4.31Å; I797-L800 HydrophobicContact CG1-CD1 4.28Å; I797-L800 HydrophobicContact CG2-CD1 4.38Å; I797-L800 PolarHBondContact O-N 2.9Å; I797-F816 HydrophobicContact CD1-CD1 4.08Å; I797-F816 HydrophobicContact CD1-CE1 4.08Å; I797-I817 HydrophobicContact CD1-CG1 4.28Å; I797-I817 HydrophobicContact CG2-CD1 4.14Å; I797-T862 HydrophobicContact CB-CG2 3.76Å; I797-T862 HydrophobicContact CG2-CG2 3.7Å; I797-V866 HydrophobicContact CG2-CG2 3.35Å
798G86.2Confident86.1Confident2 Ų221.6 Ų21.62%0.02111%0.113CC..Hα-helixtrans-63.6-23.6176.800000113.6C794 G795 I796 S865 K869C794-G798 PolarHBondContact O-N 3.45Å; G795-G798 PolarHBondContact O-N 3.03Å; I796-G798 VanDerWaalsContact C-N 3.27Å; I796-G798 PolarHBondContact O-N 3.28Å; G798-S865 PolarHBondContact O-OG 3.36Å; G798-K869 PolarHBondContact O-NZ 2.78Å
799G86.4Confident86.5Confident5 Ų522.6 Ų22.65%0.05212%0.12CC..Hα-helixtrans-94.1-11.6177.300000115.5S754 Q761 G795 I796 I797S754-G799 WeakPolarHBondContact CA-O 3.33Å; Q761-G799 PolarHBondContact NE2-O 2.77Å; G795-G799 PolarHBondContact O-N 3.04Å; G795-G799 VanDerWaalsContact O-N 3.15Å; I796-G799 CarbonylContact O-C 3.58Å; I796-G799 WeakPolarHBondContact O-CA 3.33Å; I796-G799 PolarHBondContact O-N 2.85Å; I797-G799 PolarHBondContact O-N 2.93Å
800L90.6Very high86.8Confident0 Ų022.4 Ų22.40%012%0.12CC..  trans-60.5144.4-178.4-65.2170.4000112.3T753 Q761 F765 I796 I797 F804 V805 L813 K869T753-L800 HydrophobicContact CG2-CD2 3.96Å; T753-L800 HydrophobicContact CG2-CG 4.48Å; Q761-L800 HydrophobicContact CB-CD2 3.96Å; Q761-L800 HydrophobicContact CG-CD2 4.46Å; F765-L800 HydrophobicContact CB-CD2 4.48Å; F765-L800 HydrophobicContact CD2-CD1 4.26Å; I796-L800 HydrophobicContact CG2-CD2 4.36Å; I796-L800 WeakPolarHBondContact O-CG 3.22Å; I796-L800 PolarHBondContact O-N 3.44Å; I796-L800 VanDerWaalsContact O-N 3.15Å; I797-L800 HydrophobicContact CB-CD1 4.31Å; I797-L800 HydrophobicContact CG1-CD1 4.28Å; I797-L800 HydrophobicContact CG2-CD1 4.38Å; I797-L800 PolarHBondContact O-N 2.9Å; L800-F804 HydrophobicContact CB-CD1 4.17Å; L800-F804 HydrophobicContact CD1-CD1 3.63Å; L800-F804 HydrophobicContact CD1-CE1 3.76Å; L800-F804 HydrophobicContact CD2-CD1 3.63Å; L800-F804 HydrophobicContact CD2-CE1 3.89Å; L800-F804 HydrophobicContact CD2-CG 4.19Å; L800-F804 HydrophobicContact CG-CD1 3.98Å; L800-F804 HydrophobicContact CG-CE1 4.38Å; L800-V805 HydrophobicContact CB-CG2 3.81Å; L800-L813 HydrophobicContact CD1-CD1 4.48Å; L800-K869 WeakPolarHBondContact O-CD 3.19Å; L800-K869 WeakPolarHBondContact O-CE 2.93Å; L800-K869 PolarHBondContact O-NZ 3.46Å
801R85.9Confident86.9Confident100 Ų10023.6 Ų23.638%0.37713%0.127SC..  trans-72.5156.6175.2-76.3172.7-167.9-148.60.2112.1C756 E803 F804 V805C756-R801 PolarHBondContact O-NE 3.08Å; C756-R801 PolarHBondContact O-NH2 3.09Å; C756-R801 VanDerWaalsContact O-NH2 3.15Å; R801-E803 VanDerWaalsContact CB-OE2 3.28Å; R801-E803 WeakPolarHBondContact CB-OE2 3.32Å; R801-E803 WeakPolarHBondContact CD-OE2 3.5Å; R801-E803 PolarHBondContact O-N 3.4Å; R801-F804 PolarHBondContact O-N 2.94Å; R801-F804 VanDerWaalsContact O-N 3.14Å; R801-V805 WeakPolarHBondContact O-CG2 3.24Å; R801-V805 PolarHBondContact O-N 3.1Å
802P84.1Confident87.2Confident59 Ų5929.7 Ų29.738%0.38316%0.155SC..Hα-helixtrans-51.5-40.1171.8-24.733.1000113.5F804 V805 N806 K869P802-F804 VanDerWaalsContact C-N 3.32Å; P802-F804 PolarHBondContact O-N 2.77Å; P802-V805 PolarHBondContact O-N 3.46Å; P802-N806 WeakPolarHBondContact O-CB 3.35Å; P802-N806 PolarHBondContact O-N 3.3Å; P802-N806 PolarHBondContact O-ND2 3.47Å; P802-K869 HydrophobicContact CB-CB 4.32Å; P802-K869 HydrophobicContact CG-CB 4.27Å; P802-K869 HydrophobicContact CG-CG 4.11Å
803E84.4Confident87.4Confident111 Ų11129.9 Ų29.952%0.51916%0.157SC..Hα-helixtrans-61.1-42.9180-51.397.3-162.200111.8L758 R801 S807L758-E803 HydrophobicContact CD1-CB 4.25Å; R801-E803 VanDerWaalsContact CB-OE2 3.28Å; R801-E803 WeakPolarHBondContact CB-OE2 3.32Å; R801-E803 WeakPolarHBondContact CD-OE2 3.5Å; R801-E803 PolarHBondContact O-N 3.4Å; E803-S807 WeakPolarHBondContact O-CB 3.14Å; E803-S807 PolarHBondContact O-N 3.15Å
804F86Confident87.4Confident2 Ų229.9 Ų29.91%0.00916%0.157CC..Hα-helixtrans-67.5-48.3178.5-170.4-91.5000111.8L758 T762 F765 L800 R801 P802 N806 S807 E808L758-F804 HydrophobicContact CD1-CB 3.57Å; L758-F804 HydrophobicContact CD1-CD2 4.02Å; L758-F804 HydrophobicContact CD1-CG 4.28Å; T762-F804 VanDerWaalsContact CA-CE2 3.46Å; T762-F804 HydrophobicContact CG2-CE2 3.86Å; T762-F804 WeakPolarHBondContact OG1-CD2 3.47Å; T762-F804 WeakPolarHBondContact OG1-CE2 3.41Å; F765-F804 HydrophobicContact CB-CE1 4.34Å; F765-F804 HydrophobicContact CB-CZ 4.18Å; F765-F804 AromaticContact CD1-CE1 3.86Å; F765-F804 HydrophobicContact CD1-CE1 3.86Å; F765-F804 AromaticContact CD1-CZ 3.7Å; F765-F804 HydrophobicContact CD1-CZ 3.7Å; F765-F804 HydrophobicContact CE1-CE1 4.34Å; F765-F804 HydrophobicContact CE1-CZ 4.4Å; F765-F804 HydrophobicContact CG-CE1 4.06Å; F765-F804 HydrophobicContact CG-CZ 4.13Å; L800-F804 HydrophobicContact CB-CD1 4.17Å; L800-F804 HydrophobicContact CD1-CD1 3.63Å; L800-F804 HydrophobicContact CD1-CE1 3.76Å; L800-F804 HydrophobicContact CD2-CD1 3.63Å; L800-F804 HydrophobicContact CD2-CE1 3.89Å; L800-F804 HydrophobicContact CD2-CG 4.19Å; L800-F804 HydrophobicContact CG-CD1 3.98Å; L800-F804 HydrophobicContact CG-CE1 4.38Å; R801-F804 PolarHBondContact O-N 2.94Å; R801-F804 VanDerWaalsContact O-N 3.14Å; P802-F804 VanDerWaalsContact C-N 3.32Å; P802-F804 PolarHBondContact O-N 2.77Å; F804-N806 PolarHBondContact O-N 2.92Å; F804-S807 WeakPolarHBondContact CA-OG 3.29Å; F804-S807 WeakPolarHBondContact O-CA 3Å; F804-S807 WeakPolarHBondContact O-CB 3.33Å; F804-S807 PolarHBondContact O-N 3.39Å; F804-S807 PolarHBondContact O-OG 2.71Å; F804-E808 HydrophobicContact CD1-CG 4.18Å; F804-E808 HydrophobicContact CE1-CB 4.4Å; F804-E808 HydrophobicContact CE1-CG 3.46Å; F804-E808 VanDerWaalsContact CE1-CG 3.46Å; F804-E808 HydrophobicContact CE2-CG 4.21Å; F804-E808 HydrophobicContact CZ-CG 3.47Å; F804-E808 VanDerWaalsContact CZ-CG 3.47Å; F804-E808 PolarHBondContact O-N 3.3Å
805V85.7Confident87.4Confident0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-56.2-40.8180169.40000110.9L800 R801 P802 S809 P810 L813 V866 K869L800-V805 HydrophobicContact CB-CG2 3.81Å; R801-V805 WeakPolarHBondContact O-CG2 3.24Å; R801-V805 PolarHBondContact O-N 3.1Å; P802-V805 PolarHBondContact O-N 3.46Å; V805-S809 CarbonylContact O-C 3.55Å; V805-P810 HydrophobicContact CG1-CB 4.03Å; V805-P810 HydrophobicContact CG1-CG 4.03Å; V805-P810 WeakPolarHBondContact O-CD 3.33Å; V805-L813 HydrophobicContact CB-CD1 4.47Å; V805-L813 HydrophobicContact CG1-CD1 4.28Å; V805-L813 HydrophobicContact CG2-CD1 4.34Å; V805-V866 HydrophobicContact CG1-CG1 3.89Å; V805-K869 HydrophobicContact CB-CB 4.37Å; V805-K869 HydrophobicContact CG1-CB 4.3Å; V805-K869 HydrophobicContact CG2-CB 4.31Å; V805-K869 HydrophobicContact CG2-CD 4.24Å
806N85.9Confident87.6Confident23 Ų2333.5 Ų33.512%0.12318%0.176CC..Hα-helixtrans-74-27.4176.7-67.5-52.2000112.9P802 F804 P810 K869 S870 N871 F874P802-N806 WeakPolarHBondContact O-CB 3.35Å; P802-N806 PolarHBondContact O-N 3.3Å; P802-N806 PolarHBondContact O-ND2 3.47Å; F804-N806 PolarHBondContact O-N 2.92Å; N806-P810 WeakPolarHBondContact OD1-CG 3.43Å; N806-K869 PolarHBondContact ND2-O 3.43Å; N806-K869 VanDerWaalsContact ND2-O 3.15Å; N806-S870 WeakPolarHBondContact OD1-CA 3.01Å; N806-N871 VanDerWaalsContact CG-CG 3.44Å; N806-N871 PolarHBondContact OD1-N 3.26Å; N806-N871 PolarHBondContact OD1-OD1 3.13Å; N806-F874 HydrophobicContact CB-CE2 4.18Å; N806-F874 VanDerWaalsContact O-CE2 3.28Å; N806-F874 WeakPolarHBondContact O-CE2 3.38Å; N806-F874 VanDerWaalsContact O-CZ 3.31Å; N806-F874 WeakPolarHBondContact O-CZ 3.37Å
807S86.2Confident87.5Confident82 Ų8233.5 Ų33.557%0.57318%0.176SC*.Hα-helixtrans-73.4-39.1176.773.60000114.1E803 F804 S809E803-S807 WeakPolarHBondContact O-CB 3.14Å; E803-S807 PolarHBondContact O-N 3.15Å; F804-S807 WeakPolarHBondContact CA-OG 3.29Å; F804-S807 WeakPolarHBondContact O-CA 3Å; F804-S807 WeakPolarHBondContact O-CB 3.33Å; F804-S807 PolarHBondContact O-N 3.39Å; F804-S807 PolarHBondContact O-OG 2.71Å; S807-S809 PolarHBondContact O-N 2.92Å
808E83.6Confident87.4Confident62 Ų6233.9 Ų33.929%0.2918%0.179SC..THydrogen-bonded Turntrans-80.14.9176-74.4-73.3152.500112.6F765 F804 Q812 L813F765-E808 HydrophobicContact CE1-CG 4.36Å; F804-E808 HydrophobicContact CD1-CG 4.18Å; F804-E808 HydrophobicContact CE1-CB 4.4Å; F804-E808 HydrophobicContact CE1-CG 3.46Å; F804-E808 VanDerWaalsContact CE1-CG 3.46Å; F804-E808 HydrophobicContact CE2-CG 4.21Å; F804-E808 HydrophobicContact CZ-CG 3.47Å; F804-E808 VanDerWaalsContact CZ-CG 3.47Å; F804-E808 PolarHBondContact O-N 3.3Å; E808-Q812 PolarHBondContact O-OE1 3.41Å; E808-L813 HydrophobicContact CB-CD1 4.4Å; E808-L813 HydrophobicContact CB-CG 4.46Å
809S87.3Confident87.3Confident21 Ų2137.1 Ų37.115%0.14720%0.195CC..  trans61112.3-166.61590000112.5V805 S807 V811 Q812 L813V805-S809 CarbonylContact O-C 3.55Å; S807-S809 PolarHBondContact O-N 2.92Å; S809-V811 PolarHBondContact O-N 3.36Å; S809-Q812 WeakPolarHBondContact O-CB 3.33Å; S809-Q812 PolarHBondContact O-N 2.74Å; S809-L813 PolarHBondContact O-N 3.27Å
810P87.2Confident87.2Confident0 Ų037.4 Ų37.40%020%0.195CC..Hα-helixtrans-55-36-178.9-22.331.3000112.4V805 N806 Q812 L813 L814 V866 F874 I878V805-P810 HydrophobicContact CG1-CB 4.03Å; V805-P810 HydrophobicContact CG1-CG 4.03Å; V805-P810 WeakPolarHBondContact O-CD 3.33Å; N806-P810 WeakPolarHBondContact OD1-CG 3.43Å; P810-Q812 VanDerWaalsContact C-N 3.29Å; P810-Q812 PolarHBondContact O-N 3.32Å; P810-L813 PolarHBondContact O-N 2.97Å; P810-L814 VanDerWaalsContact O-CG 3.27Å; P810-L814 WeakPolarHBondContact O-CG 3.44Å; P810-L814 PolarHBondContact O-N 3.18Å; P810-V866 HydrophobicContact CB-CG1 4.3Å; P810-F874 VanDerWaalsContact CD-CE2 3.48Å; P810-F874 HydrophobicContact CG-CB 4.35Å; P810-F874 HydrophobicContact CG-CD2 3.73Å; P810-F874 HydrophobicContact CG-CE2 4.19Å; P810-F874 HydrophobicContact CG-CG 4.03Å; P810-I878 HydrophobicContact CB-CD1 4.2Å
811V88.5Confident86.8Confident28 Ų2837.4 Ų37.417%0.1720%0.195CC..Hα-helixtrans-64.9-31.4179.91790000112.6S809 T815 D877 I878 H881S809-V811 PolarHBondContact O-N 3.36Å; V811-T815 VanDerWaalsContact O-CB 3.22Å; V811-T815 WeakPolarHBondContact O-CB 3.48Å; V811-T815 PolarHBondContact O-N 3.32Å; V811-T815 PolarHBondContact O-OG1 3.45Å; V811-D877 HydrophobicContact CG2-CB 3.64Å; V811-I878 HydrophobicContact CG2-CG1 3.74Å; V811-H881 HydrophobicContact CG1-CB 4.16Å
812Q89.5Confident86.4Confident128 Ų12833.1 Ų33.160%0.59818%0.18SC*.Hα-helixtrans-71.2-40.6175.8-67.7-175.615.400110.5E808 S809 P810 T815 F816E808-Q812 PolarHBondContact O-OE1 3.41Å; S809-Q812 WeakPolarHBondContact O-CB 3.33Å; S809-Q812 PolarHBondContact O-N 2.74Å; P810-Q812 VanDerWaalsContact C-N 3.29Å; P810-Q812 PolarHBondContact O-N 3.32Å; Q812-T815 PolarHBondContact O-N 3.42Å; Q812-F816 VanDerWaalsContact O-CB 3.25Å; Q812-F816 WeakPolarHBondContact O-CB 3.24Å; Q812-F816 PolarHBondContact O-N 2.64Å
813L90Very high85.9Confident5 Ų534.6 Ų34.63%0.02618%0.181CC..Hα-helixtrans-65.8-44.5175.5-65.5176.1000111.9F765 L800 V805 E808 S809 P810 F816 I817 V866F765-L813 HydrophobicContact CE1-CD2 4.44Å; F765-L813 HydrophobicContact CE2-CD2 3.99Å; F765-L813 HydrophobicContact CZ-CD2 3.57Å; L800-L813 HydrophobicContact CD1-CD1 4.48Å; V805-L813 HydrophobicContact CB-CD1 4.47Å; V805-L813 HydrophobicContact CG1-CD1 4.28Å; V805-L813 HydrophobicContact CG2-CD1 4.34Å; E808-L813 HydrophobicContact CB-CD1 4.4Å; E808-L813 HydrophobicContact CB-CG 4.46Å; S809-L813 PolarHBondContact O-N 3.27Å; P810-L813 PolarHBondContact O-N 2.97Å; L813-F816 WeakPolarHBondContact O-CB 3.47Å; L813-F816 PolarHBondContact O-N 3.2Å; L813-I817 WeakPolarHBondContact O-CG1 3.1Å; L813-I817 PolarHBondContact O-N 2.89Å; L813-V866 HydrophobicContact CB-CG1 4.2Å
814L90.7Very high85.2Confident0 Ų031 Ų310%017%0.166CC..Hα-helixtrans-62.2-46.7176-64.5174.3000110.8P810 F816 I817 M818 Y863 V866 H881P810-L814 VanDerWaalsContact O-CG 3.27Å; P810-L814 WeakPolarHBondContact O-CG 3.44Å; P810-L814 PolarHBondContact O-N 3.18Å; L814-F816 VanDerWaalsContact C-N 3.31Å; L814-F816 PolarHBondContact O-N 3.15Å; L814-I817 PolarHBondContact O-N 2.98Å; L814-M818 WeakPolarHBondContact O-CB 3.06Å; L814-M818 VanDerWaalsContact O-CG 3.32Å; L814-M818 WeakPolarHBondContact O-CG 3.27Å; L814-M818 PolarHBondContact O-N 3.21Å; L814-Y863 HydrophobicContact CB-CE2 3.89Å; L814-Y863 HydrophobicContact CD2-CD1 4.09Å; L814-Y863 HydrophobicContact CD2-CD2 3.69Å; L814-Y863 HydrophobicContact CD2-CE1 3.96Å; L814-Y863 HydrophobicContact CD2-CE2 3.57Å; L814-Y863 HydrophobicContact CD2-CG 3.95Å; L814-Y863 HydrophobicContact CG-CE2 4.24Å; L814-V866 HydrophobicContact CD2-CB 3.71Å; L814-V866 HydrophobicContact CD2-CG1 3.58Å; L814-V866 HydrophobicContact CG-CB 4.47Å; L814-V866 HydrophobicContact CG-CG1 3.79Å; L814-H881 WeakPolarHBondContact CB-NE2 3.37Å
815T89.7Confident84.5Confident51 Ų5131.1 Ų31.131%0.31317%0.167SC..Hα-helixtrans-59.7-41.3174.1-55.90000111.4V811 Q812 M818 D819 H881V811-T815 VanDerWaalsContact O-CB 3.22Å; V811-T815 WeakPolarHBondContact O-CB 3.48Å; V811-T815 PolarHBondContact O-N 3.32Å; V811-T815 PolarHBondContact O-OG1 3.45Å; Q812-T815 PolarHBondContact O-N 3.42Å; T815-M818 PolarHBondContact O-N 3.04Å; T815-D819 WeakPolarHBondContact O-CB 3.1Å; T815-D819 PolarHBondContact O-N 3.04Å; T815-H881 PolarHBondContact OG1-CE1 2.9Å; T815-H881 PolarHBondContact OG1-ND1 2.85Å
816F90.6Very high83.2Confident24 Ų2432.7 Ų32.711%0.10518%0.178CC..Hα-helixtrans-62.4-47.2176.9170.9-96.7000112.4K769 F772 F790 L793 I797 Q812 L813 L814 M818 N820K769-F816 HydrophobicContact CD-CE2 4.08Å; K769-F816 HydrophobicContact CD-CZ 4.19Å; F772-F816 HydrophobicContact CD1-CE2 4.07Å; F772-F816 AromaticContact CD1-CZ 3.86Å; F772-F816 HydrophobicContact CD1-CZ 3.86Å; F772-F816 AromaticContact CE1-CE2 3.89Å; F772-F816 HydrophobicContact CE1-CE2 3.89Å; F772-F816 AromaticContact CE1-CZ 3.74Å; F772-F816 HydrophobicContact CE1-CZ 3.74Å; F790-F816 HydrophobicContact CE2-CE1 4.21Å; L793-F816 HydrophobicContact CD2-CE1 3.43Å; L793-F816 VanDerWaalsContact CD2-CE1 3.43Å; L793-F816 HydrophobicContact CD2-CZ 3.32Å; L793-F816 HydrophobicContact CG-CE1 4.24Å; I797-F816 HydrophobicContact CD1-CD1 4.08Å; I797-F816 HydrophobicContact CD1-CE1 4.08Å; Q812-F816 VanDerWaalsContact O-CB 3.25Å; Q812-F816 WeakPolarHBondContact O-CB 3.24Å; Q812-F816 PolarHBondContact O-N 2.64Å; L813-F816 WeakPolarHBondContact O-CB 3.47Å; L813-F816 PolarHBondContact O-N 3.2Å; L814-F816 VanDerWaalsContact C-N 3.31Å; L814-F816 PolarHBondContact O-N 3.15Å; F816-M818 VanDerWaalsContact C-N 3.31Å; F816-M818 PolarHBondContact O-N 3.25Å; F816-N820 WeakPolarHBondContact CD2-ND2 3.27Å; F816-N820 WeakPolarHBondContact CE2-ND2 3.44Å; F816-N820 WeakPolarHBondContact CZ-ND2 3.28Å; F816-N820 PolarHBondContact O-N 3.41Å; F816-N820 VanDerWaalsContact O-N 3.16Å; F816-N820 PolarHBondContact O-ND2 2.89Å
817I89Confident81.7Confident0 Ų036.5 Ų36.50%020%0.202CC..Hα-helixtrans-60.1-47.7177.1-65.8164.1000109.3I797 L813 L814 N820 I821 I859 T862 Y863 V866I797-I817 HydrophobicContact CD1-CG1 4.28Å; I797-I817 HydrophobicContact CG2-CD1 4.14Å; L813-I817 WeakPolarHBondContact O-CG1 3.1Å; L813-I817 PolarHBondContact O-N 2.89Å; L814-I817 PolarHBondContact O-N 2.98Å; I817-N820 PolarHBondContact O-N 3.2Å; I817-I821 VanDerWaalsContact O-CG2 3.27Å; I817-I821 WeakPolarHBondContact O-CG2 3.2Å; I817-I821 PolarHBondContact O-N 3.05Å; I817-I859 HydrophobicContact CG2-CG2 4.12Å; I817-T862 HydrophobicContact CD1-CG2 3.97Å; I817-Y863 HydrophobicContact CG2-CD2 4.35Å; I817-V866 HydrophobicContact CD1-CG2 4.19Å
818M87.4Confident79.9Confident9 Ų934.4 Ų34.44%0.04419%0.188CC..Hα-helixtrans-63.8-48.4-178.7-75.3-49.9-48.600112.8L814 T815 F816 N820 I821 T822 Y863 T885 F889 F904L814-M818 WeakPolarHBondContact O-CB 3.06Å; L814-M818 VanDerWaalsContact O-CG 3.32Å; L814-M818 WeakPolarHBondContact O-CG 3.27Å; L814-M818 PolarHBondContact O-N 3.21Å; T815-M818 PolarHBondContact O-N 3.04Å; F816-M818 VanDerWaalsContact C-N 3.31Å; F816-M818 PolarHBondContact O-N 3.25Å; M818-N820 VanDerWaalsContact C-N 3.3Å; M818-N820 PolarHBondContact O-N 3.5Å; M818-I821 HydrophobicContact CE-CG2 4.31Å; M818-I821 WeakPolarHBondContact O-CG2 3.49Å; M818-I821 HydrophobicContact SD-CG2 4.44Å; M818-T822 HydrophobicContact CE-CG2 3.75Å; M818-T822 WeakPolarHBondContact O-CB 3.41Å; M818-T822 WeakPolarHBondContact O-CG2 3.2Å; M818-T822 PolarHBondContact O-N 2.84Å; M818-T822 PolarHBondContact O-OG1 3.36Å; M818-Y863 HydrophobicContact CG-CD2 4.13Å; M818-Y863 HydrophobicContact CG-CE2 3.59Å; M818-Y863 HydrophobicContact SD-CD2 4.04Å; M818-Y863 HydrophobicContact SD-CE2 3.86Å; M818-T885 HydrophobicContact CE-CG2 3.82Å; M818-T885 HydrophobicContact CG-CG2 4.22Å; M818-T885 HydrophobicContact SD-CG2 4Å; M818-F889 HydrophobicContact CE-CE1 3.34Å; M818-F889 HydrophobicContact CE-CE2 4.26Å; M818-F889 HydrophobicContact CE-CZ 3.18Å; M818-F889 HydrophobicContact SD-CZ 4.02Å; M818-F904 HydrophobicContact CE-CE1 4.37Å; M818-F904 HydrophobicContact SD-CE1 4.37Å
819D85.2Confident77.7Confident69 Ų6934.9 Ų34.937%0.36920%0.198SC..Hα-helixtrans-58.8-42.1178.8-97.230.9000112.1T815 T822 K823T815-D819 WeakPolarHBondContact O-CB 3.1Å; T815-D819 PolarHBondContact O-N 3.04Å; D819-T822 WeakPolarHBondContact CA-OG1 3.47Å; D819-T822 PolarHBondContact O-OG1 3.26Å; D819-T822 VanDerWaalsContact O-OG1 3.13Å; D819-K823 WeakPolarHBondContact O-CB 3.34Å; D819-K823 VanDerWaalsContact O-CD 3.25Å; D819-K823 WeakPolarHBondContact O-CD 3.43Å; D819-K823 WeakPolarHBondContact O-CG 3.48Å; D819-K823 PolarHBondContact O-N 3.44Å; D819-K823 IonicContact OD2-NZ 3.36Å; D819-K823 PolarHBondContact OD2-NZ 2.78Å
820N83.5Confident74.8Confident11 Ų1138.5 Ų38.56%0.05923%0.229CC..Hα-helixtrans-74.9-48.4-177.7-71.6-63.8000111.2F790 F816 I817 M818 T822 K823 T824F790-N820 HydrophobicContact CD2-CB 4.02Å; F790-N820 HydrophobicContact CE2-CB 3.5Å; F790-N820 VanDerWaalsContact CE2-CB 3.5Å; F790-N820 HydrophobicContact CZ-CB 3.79Å; F816-N820 WeakPolarHBondContact CD2-ND2 3.27Å; F816-N820 WeakPolarHBondContact CE2-ND2 3.44Å; F816-N820 WeakPolarHBondContact CZ-ND2 3.28Å; F816-N820 PolarHBondContact O-N 3.41Å; F816-N820 VanDerWaalsContact O-N 3.16Å; F816-N820 PolarHBondContact O-ND2 2.89Å; I817-N820 PolarHBondContact O-N 3.2Å; M818-N820 VanDerWaalsContact C-N 3.3Å; M818-N820 PolarHBondContact O-N 3.5Å; N820-T822 PolarHBondContact O-N 3.33Å; N820-K823 PolarHBondContact O-N 3.43Å; N820-T824 WeakPolarHBondContact O-CB 3.14Å; N820-T824 PolarHBondContact O-N 3.46Å; N820-T824 PolarHBondContact O-OG1 2.98Å
821I81.9Confident72.1Confident0 Ų042.3 Ų42.30%026%0.26CS..Hα-helixtrans-62.2-37.7179.5-163.854.2000111.2F790 I817 M818 L825 Y851 L856 I859 F904F790-I821 HydrophobicContact CE1-CB 4.35Å; F790-I821 HydrophobicContact CE1-CD1 4.28Å; F790-I821 HydrophobicContact CZ-CB 4.44Å; I817-I821 VanDerWaalsContact O-CG2 3.27Å; I817-I821 WeakPolarHBondContact O-CG2 3.2Å; I817-I821 PolarHBondContact O-N 3.05Å; M818-I821 HydrophobicContact CE-CG2 4.31Å; M818-I821 WeakPolarHBondContact O-CG2 3.49Å; M818-I821 HydrophobicContact SD-CG2 4.44Å; I821-L825 HydrophobicContact CD1-CD1 3.82Å; I821-L825 HydrophobicContact CD1-CG 4.19Å; I821-L825 HydrophobicContact CG1-CD1 3.69Å; I821-L825 HydrophobicContact CG1-CG 4.43Å; I821-L825 VanDerWaalsContact O-CB 3.25Å; I821-L825 WeakPolarHBondContact O-CB 3.41Å; I821-L825 WeakPolarHBondContact O-CD1 3.48Å; I821-L825 WeakPolarHBondContact O-CG 3.49Å; I821-L825 PolarHBondContact O-N 3.24Å; I821-Y851 HydrophobicContact CD1-CE1 4.26Å; I821-L856 HydrophobicContact CD1-CD2 4.25Å; I821-I859 HydrophobicContact CD1-CD1 4.09Å; I821-I859 HydrophobicContact CD1-CG2 4.5Å; I821-I859 HydrophobicContact CG1-CG2 4.42Å; I821-F904 HydrophobicContact CB-CE1 4.45Å; I821-F904 HydrophobicContact CB-CZ 4.29Å; I821-F904 HydrophobicContact CG1-CD1 4.12Å; I821-F904 HydrophobicContact CG1-CD2 3.97Å; I821-F904 HydrophobicContact CG1-CE1 3.98Å; I821-F904 HydrophobicContact CG1-CE2 3.83Å; I821-F904 HydrophobicContact CG1-CG 4.11Å; I821-F904 HydrophobicContact CG1-CZ 3.83Å; I821-F904 HydrophobicContact CG2-CD1 4.35Å; I821-F904 HydrophobicContact CG2-CE1 3.59Å; I821-F904 HydrophobicContact CG2-CE2 4.48Å; I821-F904 HydrophobicContact CG2-CZ 3.67Å
822T77.5Confident69.2Low10 Ų1047 Ų476%0.06129%0.291CS..Hα-helixtrans-71.4-43.9176.759.40000112M818 D819 N820 T824 L825 C826 Y888 F901M818-T822 HydrophobicContact CE-CG2 3.75Å; M818-T822 WeakPolarHBondContact O-CB 3.41Å; M818-T822 WeakPolarHBondContact O-CG2 3.2Å; M818-T822 PolarHBondContact O-N 2.84Å; M818-T822 PolarHBondContact O-OG1 3.36Å; D819-T822 WeakPolarHBondContact CA-OG1 3.47Å; D819-T822 PolarHBondContact O-OG1 3.26Å; D819-T822 VanDerWaalsContact O-OG1 3.13Å; N820-T822 PolarHBondContact O-N 3.33Å; T822-T824 VanDerWaalsContact C-N 3.32Å; T822-T824 PolarHBondContact O-N 2.93Å; T822-L825 PolarHBondContact O-N 3.05Å; T822-C826 WeakPolarHBondContact O-CA 3.39Å; T822-C826 WeakPolarHBondContact O-CB 3.46Å; T822-C826 PolarHBondContact O-N 2.91Å; T822-C826 PolarHBondContact O-SG 3.23Å; T822-Y888 HydrophobicContact CG2-CD1 4.36Å; T822-Y888 HydrophobicContact CG2-CE1 3.47Å; T822-Y888 VanDerWaalsContact CG2-CE1 3.47Å; T822-F901 HydrophobicContact CG2-CE2 3.96Å; T822-F901 HydrophobicContact CG2-CZ 4.22Å
823K73.8Confident66Low91 Ų9146.9 Ų46.940%0.39630%0.299SS..Hα-helixtrans-56.1-48.8172.8-78.3164-167.7154.50110.4D819 N820 L825 C826 T827D819-K823 WeakPolarHBondContact O-CB 3.34Å; D819-K823 VanDerWaalsContact O-CD 3.25Å; D819-K823 WeakPolarHBondContact O-CD 3.43Å; D819-K823 WeakPolarHBondContact O-CG 3.48Å; D819-K823 PolarHBondContact O-N 3.44Å; D819-K823 IonicContact OD2-NZ 3.36Å; D819-K823 PolarHBondContact OD2-NZ 2.78Å; N820-K823 PolarHBondContact O-N 3.43Å; K823-L825 PolarHBondContact O-N 3.39Å; K823-C826 PolarHBondContact O-N 3.47Å; K823-T827 WeakPolarHBondContact O-CB 3.32Å; K823-T827 VanDerWaalsContact O-CG2 3.24Å; K823-T827 WeakPolarHBondContact O-CG2 3.4Å; K823-T827 PolarHBondContact O-N 3.09Å; K823-T827 PolarHBondContact O-OG1 3.04Å
824T70.4Confident62.8Low34 Ų3453.3 Ų53.321%0.20933%0.333CS..Hα-helixtrans-73.3-28.7-174.5-34.30000113.3H783 N820 T822 Y851H783-T824 WeakPolarHBondContact NE2-CG2 3.41Å; N820-T824 WeakPolarHBondContact O-CB 3.14Å; N820-T824 PolarHBondContact O-N 3.46Å; N820-T824 PolarHBondContact O-OG1 2.98Å; T822-T824 VanDerWaalsContact C-N 3.32Å; T822-T824 PolarHBondContact O-N 2.93Å; T824-Y851 WeakPolarHBondContact CB-OH 3.29Å; T824-Y851 WeakPolarHBondContact CG2-OH 3.41Å
825L70.2Confident59.6Low6 Ų659.9 Ų59.93%0.03137%0.368CS..Hα-helixtrans-83.4-34.3173.7-67.9170000112.8I821 T822 K823 S828 Y851 D900 F901 F904I821-L825 HydrophobicContact CD1-CD1 3.82Å; I821-L825 HydrophobicContact CD1-CG 4.19Å; I821-L825 HydrophobicContact CG1-CD1 3.69Å; I821-L825 HydrophobicContact CG1-CG 4.43Å; I821-L825 VanDerWaalsContact O-CB 3.25Å; I821-L825 WeakPolarHBondContact O-CB 3.41Å; I821-L825 WeakPolarHBondContact O-CD1 3.48Å; I821-L825 WeakPolarHBondContact O-CG 3.49Å; I821-L825 PolarHBondContact O-N 3.24Å; T822-L825 PolarHBondContact O-N 3.05Å; K823-L825 PolarHBondContact O-N 3.39Å; L825-S828 WeakPolarHBondContact O-CB 3.28Å; L825-S828 PolarHBondContact O-OG 3.31Å; L825-Y851 HydrophobicContact CD2-CD2 3.72Å; L825-Y851 HydrophobicContact CD2-CE2 3.63Å; L825-Y851 HydrophobicContact CD2-CG 4.29Å; L825-D900 HydrophobicContact CD2-CB 3.97Å; L825-F901 HydrophobicContact CB-CD2 3.63Å; L825-F901 HydrophobicContact CB-CE2 4.37Å; L825-F901 HydrophobicContact CD1-CB 4.49Å; L825-F901 HydrophobicContact CD1-CD2 3.59Å; L825-F901 HydrophobicContact CD1-CE2 4.33Å; L825-F901 HydrophobicContact CD1-CG 4.5Å; L825-F901 HydrophobicContact CG-CD2 4.23Å; L825-F904 HydrophobicContact CD1-CB 4.1Å; L825-F904 HydrophobicContact CD1-CD1 4.47Å; L825-F904 HydrophobicContact CD1-CG 4.3Å
826C59.8Low56.5Low33 Ų3362.4 Ų62.422%0.22339%0.388CS..Hα-helixtrans-84.8-27.3-177.4-64.40000114.2T822 K823 S828 S829T822-C826 WeakPolarHBondContact O-CA 3.39Å; T822-C826 WeakPolarHBondContact O-CB 3.46Å; T822-C826 PolarHBondContact O-N 2.91Å; T822-C826 PolarHBondContact O-SG 3.23Å; K823-C826 PolarHBondContact O-N 3.47Å; C826-S828 PolarHBondContact O-N 3.25Å; C826-S829 PolarHBondContact O-N 3.34Å; C826-S829 PolarHBondContact O-OG 3.15Å
827T52.8Low53.4Low103 Ų10367.6 Ų67.663%0.63242%0.422SS*.THydrogen-bonded Turntrans-62.8-10.317348.80000113.3K823K823-T827 WeakPolarHBondContact O-CB 3.32Å; K823-T827 VanDerWaalsContact O-CG2 3.24Å; K823-T827 WeakPolarHBondContact O-CG2 3.4Å; K823-T827 PolarHBondContact O-N 3.09Å; K823-T827 PolarHBondContact O-OG1 3.04Å
828S48.8Very low50.6Low38 Ų3873.4 Ų73.427%0.26646%0.457SS..THydrogen-bonded Turntrans-74.2-21.917979.70000113.3L825 C826 L848L825-S828 WeakPolarHBondContact O-CB 3.28Å; L825-S828 PolarHBondContact O-OG 3.31Å; C826-S828 PolarHBondContact O-N 3.25Å; S828-L848 WeakPolarHBondContact O-CD2 3.44Å
829S37.3Very low47.7Very low72 Ų7281.3 Ų81.350%0.50350%0.5SS..SBendtrans-90.1-14.5-17362.70000116.5C826 A831C826-S829 PolarHBondContact O-N 3.34Å; C826-S829 PolarHBondContact O-OG 3.15Å; S829-A831 VanDerWaalsContact C-N 3.25Å; S829-A831 PolarHBondContact O-N 3.33Å
830A27Very low45.1Very low97 Ų9784.6 Ų84.680%0.80252%0.518SS*.  trans-84.658.8178.300000112.2
831A30.3Very low42.4Very low80 Ų8089.2 Ų89.266%0.66155%0.551SS**PPolyproline II helixtrans-95.1132.5167.500000109.7S829S829-A831 VanDerWaalsContact C-N 3.25Å; S829-A831 PolarHBondContact O-N 3.33Å
832P27.1Very low39.8Very low126 Ų12693.8 Ų93.882%0.81858%0.582SS**PPolyproline II helixtrans-75130.3-157.528.9-33.8000113.3
833T22.1Very low37.4Very low125 Ų125101.2 Ų101.277%0.76762%0.618SS**PPolyproline II helixtrans-56.1146155.448.20000111
834L23.7Very low35.1Very low141 Ų141100 Ų10074%0.73862%0.62SS**  trans91.2114.8164.4-8879.1000119.7
835N24Very low33.1Very low137 Ų137104.3 Ų104.373%0.73365%0.652SS**  75.4132.2122.4-66-6.5000121.6
836S24.6Very low31.5Very low105 Ų105107 Ų10773%0.73467%0.671SS**  trans89.3101.3153.971.50000118.6
837T25.3Very low30.3Very low133 Ų133109.9 Ų109.982%0.81669%0.687SS**  trans49.179.9134.456.30000118.4
838T30Very low29.4Very low121 Ų121109.1 Ų109.174%0.74268%0.679SS**  trans-150.412414342.50000109.3N840T838-N840 PolarHBondContact O-N 3.24Å
839N27.1Very low29.3Very low175 Ų175111.2 Ų111.294%0.93669%0.694SS**  trans-64.563.3175.2-78.2-20.1000112.5
840N29.2Very low29.8Very low139 Ų139110.4 Ų110.474%0.74369%0.687SS**  trans-100.8106.8160.7-79.5-8.6000107.4T838 S842T838-N840 PolarHBondContact O-N 3.24Å; N840-S842 PolarHBondContact O-N 3.28Å; N840-S842 VanDerWaalsContact O-N 3.07Å
841S27.1Very low31.5Very low108 Ų108106.7 Ų106.776%0.75565%0.652SS**  trans-35.8112.9163.949.70000110.8M843S841-M843 PolarHBondContact O-N 2.94Å
842S27.8Very low33.3Very low95 Ų95103.2 Ų103.266%0.66462%0.623SS**  trans38.581.5149.859.90000115.1N840 P844N840-S842 PolarHBondContact O-N 3.28Å; N840-S842 VanDerWaalsContact O-N 3.07Å; S842-P844 WeakPolarHBondContact O-CD 3.43Å
843M26Very low35.4Very low166 Ų166101.7 Ų101.782%0.81860%0.604SS**  trans-69.1106147.3-95.5-75.9114.900105.7S841 V847S841-M843 PolarHBondContact O-N 2.94Å; M843-V847 HydrophobicContact SD-CG2 4.18Å
844P26.4Very low37.7Very low66 Ų6697.2 Ų97.243%0.42958%0.576SS.*  trans-74.2147.7-178.85.312.8000107.6S842 S846 V847S842-P844 WeakPolarHBondContact O-CD 3.43Å; P844-S846 WeakPolarHBondContact CB-OG 3.42Å; P844-S846 PolarHBondContact O-N 3.15Å; P844-V847 PolarHBondContact O-N 3.25Å
845S28.6Very low40.3Very low125 Ų12590.5 Ų90.587%0.87454%0.541SS*.THydrogen-bonded Turntrans-55.96.2169.5470000114.7
846S36.5Very low43Very low62 Ų6284.1 Ų84.143%0.43451%0.507SS..THydrogen-bonded Turntrans-91-7.8-177.666.30000115.2P844 L848P844-S846 WeakPolarHBondContact CB-OG 3.42Å; P844-S846 PolarHBondContact O-N 3.15Å; S846-L848 PolarHBondContact O-N 2.89Å; S846-L848 VanDerWaalsContact O-N 3.1Å
847V34.7Very low45.7Very low93 Ų9379.4 Ų79.456%0.56447%0.474SS*.THydrogen-bonded Turntrans-68.5-4.3176.1179.20000112.3M843 P844M843-V847 HydrophobicContact SD-CG2 4.18Å; P844-V847 PolarHBondContact O-N 3.25Å
848L32.8Very low48.4Very low87 Ų8773.7 Ų73.746%0.45544%0.44SS..THydrogen-bonded Turntrans-970.4-175.7-111.380.6000116.5S828 S846 C850S828-L848 WeakPolarHBondContact O-CD2 3.44Å; S846-L848 PolarHBondContact O-N 2.89Å; S846-L848 VanDerWaalsContact O-N 3.1Å; L848-C850 PolarHBondContact O-N 3.48Å
849S47.1Very low51.1Low83 Ų8367.9 Ų67.958%0.5840%0.404SS*.  trans-79.366.9170.968.80000110Y851 D900S849-Y851 PolarHBondContact O-N 3.16Å; S849-D900 WeakPolarHBondContact CA-OD2 3.25Å
850C48.6Very low53.9Low54 Ų5459.6 Ų59.637%0.36536%0.36SS..  trans-75.4-1.2-173.5-75.70000113.8L739 L848L739-C850 WeakPolarHBondContact CD2-O 3.44Å; L848-C850 PolarHBondContact O-N 3.48Å
851Y61.9Low56.6Low19 Ų1955.9 Ų55.98%0.07534%0.338CS..  trans-128.9132.6-167.3-65.8-100.4000112.3L787 I821 T824 L825 S849 M855 L856L787-Y851 HydrophobicContact CD1-CD1 4.16Å; L787-Y851 HydrophobicContact CD1-CE1 3.36Å; L787-Y851 HydrophobicContact CD2-CE1 4.19Å; L787-Y851 HydrophobicContact CG-CE1 4.4Å; I821-Y851 HydrophobicContact CD1-CE1 4.26Å; T824-Y851 WeakPolarHBondContact CB-OH 3.29Å; T824-Y851 WeakPolarHBondContact CG2-OH 3.41Å; L825-Y851 HydrophobicContact CD2-CD2 3.72Å; L825-Y851 HydrophobicContact CD2-CE2 3.63Å; L825-Y851 HydrophobicContact CD2-CG 4.29Å; S849-Y851 PolarHBondContact O-N 3.16Å; Y851-M855 HydrophobicContact CD1-CE 3.05Å; Y851-M855 HydrophobicContact CE1-CE 3.65Å; Y851-M855 HydrophobicContact CG-CE 3.86Å; Y851-L856 HydrophobicContact CD1-CD2 3.6Å; Y851-L856 HydrophobicContact CD1-CG 4.38Å; Y851-L856 HydrophobicContact CE1-CD2 4.49Å; Y851-L856 HydrophobicContact CG-CD2 3.92Å; Y851-L856 HydrophobicContact CG-CG 4.43Å
852S68.1Low59.6Low7 Ų750.7 Ų50.75%0.04930%0.302CS..  trans-75.7144.9166.8710000109.5T854 M855 L856S852-T854 WeakPolarHBondContact CB-OG1 3.3Å; S852-T854 PolarHBondContact O-N 3.04Å; S852-T854 PolarHBondContact OG-OG1 2.95Å; S852-M855 PolarHBondContact O-N 2.86Å; S852-M855 VanDerWaalsContact O-N 3.13Å; S852-M855 VanDerWaalsContact OG-CB 3.23Å; S852-M855 WeakPolarHBondContact OG-CB 3.32Å; S852-M855 PolarHBondContact OG-N 3.14Å; S852-L856 PolarHBondContact O-N 2.81Å; S852-L856 VanDerWaalsContact O-N 3.09Å
853K71.3Confident62.6Low94 Ų9446.2 Ų46.241%0.40927%0.27SS..Hα-helixtrans-58.4-34175.4-68.7166.8168.3-177.20111.7S857 T903 F907 I995 L999K853-S857 WeakPolarHBondContact O-CB 3.1Å; K853-S857 PolarHBondContact O-N 3.44Å; K853-S857 VanDerWaalsContact O-N 3.08Å; K853-T903 HydrophobicContact CG-CG2 4.48Å; K853-F907 HydrophobicContact CB-CE2 4.36Å; K853-F907 HydrophobicContact CB-CZ 4.41Å; K853-F907 VanDerWaalsContact O-CE2 3.27Å; K853-F907 WeakPolarHBondContact O-CE2 3.48Å; K853-I995 HydrophobicContact CB-CG2 4.11Å; K853-I995 HydrophobicContact CD-CG2 3.71Å; K853-I995 HydrophobicContact CG-CG2 4.2Å; K853-L999 HydrophobicContact CB-CD1 3.89Å; K853-L999 HydrophobicContact CB-CD2 4.48Å
854T71.3Confident65.5Low31 Ų3138.5 Ų38.519%0.1923%0.233CC..Hα-helixtrans-61.2-45.3175.147.80000111.7D740 S852 S857 S858 L999D740-T854 PolarHBondContact OD1-OG1 3.43Å; S852-T854 WeakPolarHBondContact CB-OG1 3.3Å; S852-T854 PolarHBondContact O-N 3.04Å; S852-T854 PolarHBondContact OG-OG1 2.95Å; T854-S857 WeakPolarHBondContact O-CB 3.5Å; T854-S857 PolarHBondContact O-N 2.89Å; T854-S858 PolarHBondContact O-N 2.67Å; T854-S858 PolarHBondContact O-OG 3.25Å; T854-S858 VanDerWaalsContact O-OG 3.1Å; T854-L999 HydrophobicContact CG2-CD1 4.1Å; T854-L999 HydrophobicContact CG2-CD2 4.03Å
855M76.9Confident68.4Low1 Ų135.9 Ų35.91%0.00522%0.216CC..Hα-helixtrans-71.4-41.8-179.1-172-175.673.900112.6L739 L787 T791 Y851 S852 S857 S858 I859L739-M855 HydrophobicContact CD2-CE 4.16Å; L739-M855 HydrophobicContact CD2-SD 4.36Å; L787-M855 HydrophobicContact CD1-CE 3.63Å; L787-M855 HydrophobicContact CD1-SD 4.07Å; L787-M855 HydrophobicContact CD2-CE 3.79Å; L787-M855 HydrophobicContact CD2-SD 4.23Å; L787-M855 HydrophobicContact CG-CE 3.94Å; L787-M855 HydrophobicContact CG-SD 4.02Å; T791-M855 HydrophobicContact CG2-CG 4.01Å; T791-M855 HydrophobicContact CG2-SD 4.48Å; T791-M855 WeakPolarHBondContact OG1-CG 3.41Å; T791-M855 PolarHBondContact OG1-SD 3.3Å; Y851-M855 HydrophobicContact CD1-CE 3.05Å; Y851-M855 HydrophobicContact CE1-CE 3.65Å; Y851-M855 HydrophobicContact CG-CE 3.86Å; S852-M855 PolarHBondContact O-N 2.86Å; S852-M855 VanDerWaalsContact O-N 3.13Å; S852-M855 VanDerWaalsContact OG-CB 3.23Å; S852-M855 WeakPolarHBondContact OG-CB 3.32Å; S852-M855 PolarHBondContact OG-N 3.14Å; M855-S857 VanDerWaalsContact C-N 3.26Å; M855-S857 PolarHBondContact O-N 3.46Å; M855-S858 PolarHBondContact O-N 3.48Å; M855-I859 HydrophobicContact CG-CD1 4.21Å; M855-I859 WeakPolarHBondContact O-CG1 3.31Å; M855-I859 PolarHBondContact O-N 3.36Å
856L81.6Confident71.3Confident2 Ų229.9 Ų29.91%0.0117%0.174CC..Hα-helixtrans-59.2-40.4173.4-68.1178.7000111.5I821 Y851 S852 I859 A860 T903 F904 F907I821-L856 HydrophobicContact CD1-CD2 4.25Å; Y851-L856 HydrophobicContact CD1-CD2 3.6Å; Y851-L856 HydrophobicContact CD1-CG 4.38Å; Y851-L856 HydrophobicContact CE1-CD2 4.49Å; Y851-L856 HydrophobicContact CG-CD2 3.92Å; Y851-L856 HydrophobicContact CG-CG 4.43Å; S852-L856 PolarHBondContact O-N 2.81Å; S852-L856 VanDerWaalsContact O-N 3.09Å; L856-I859 PolarHBondContact O-N 2.9Å; L856-A860 WeakPolarHBondContact O-CB 3.38Å; L856-A860 PolarHBondContact O-N 2.92Å; L856-T903 HydrophobicContact CD1-CG2 4.15Å; L856-F904 HydrophobicContact CD2-CB 4.25Å; L856-F904 HydrophobicContact CD2-CD2 4.26Å; L856-F907 HydrophobicContact CB-CD2 3.93Å; L856-F907 HydrophobicContact CB-CE2 4.19Å
857S81.6Confident73.6Confident6 Ų627 Ų274%0.04215%0.154CC..Hα-helixtrans-62-46.5174.6-173.10000111.8K853 T854 M855 I859 A860 Q861 W911K853-S857 WeakPolarHBondContact O-CB 3.1Å; K853-S857 PolarHBondContact O-N 3.44Å; K853-S857 VanDerWaalsContact O-N 3.08Å; T854-S857 WeakPolarHBondContact O-CB 3.5Å; T854-S857 PolarHBondContact O-N 2.89Å; M855-S857 VanDerWaalsContact C-N 3.26Å; M855-S857 PolarHBondContact O-N 3.46Å; S857-I859 VanDerWaalsContact C-N 3.34Å; S857-I859 PolarHBondContact O-N 3.46Å; S857-A860 PolarHBondContact O-N 3.26Å; S857-Q861 WeakPolarHBondContact O-CB 3.49Å; S857-Q861 PolarHBondContact O-N 3.41Å; S857-W911 PolarHBondContact O-NE1 3.28Å; S857-W911 PolarHBondContact OG-NE1 3.23Å
858S81.5Confident75.9Confident13 Ų1324.7 Ų24.79%0.09114%0.138CC..Hα-helixtrans-61-38.9177-59.30000113.2N743 T854 M855 Q861 T862N743-S858 PolarHBondContact ND2-OG 2.86Å; N743-S858 WeakPolarHBondContact OD1-CB 3.43Å; N743-S858 PolarHBondContact OD1-OG 3.39Å; T854-S858 PolarHBondContact O-N 2.67Å; T854-S858 PolarHBondContact O-OG 3.25Å; T854-S858 VanDerWaalsContact O-OG 3.1Å; M855-S858 PolarHBondContact O-N 3.48Å; S858-Q861 PolarHBondContact O-N 3.41Å; S858-T862 PolarHBondContact O-N 3.03Å; S858-T862 PolarHBondContact O-OG1 3.14Å
859I86.2Confident78.5Confident0 Ų022.5 Ų22.50%013%0.125CC..Hα-helixtrans-67.6-44.5176.9-64.4162.6000110.2F790 C794 I817 I821 M855 L856 S857 Q861 T862 Y863 F904F790-I859 HydrophobicContact CD1-CD1 4.2Å; F790-I859 HydrophobicContact CE1-CD1 3.92Å; F790-I859 HydrophobicContact CE1-CG1 4.34Å; F790-I859 HydrophobicContact CE1-CG2 4.13Å; F790-I859 HydrophobicContact CZ-CG2 4.36Å; C794-I859 HydrophobicContact CB-CG1 4.46Å; I817-I859 HydrophobicContact CG2-CG2 4.12Å; I821-I859 HydrophobicContact CD1-CD1 4.09Å; I821-I859 HydrophobicContact CD1-CG2 4.5Å; I821-I859 HydrophobicContact CG1-CG2 4.42Å; M855-I859 HydrophobicContact CG-CD1 4.21Å; M855-I859 WeakPolarHBondContact O-CG1 3.31Å; M855-I859 PolarHBondContact O-N 3.36Å; L856-I859 PolarHBondContact O-N 2.9Å; S857-I859 VanDerWaalsContact C-N 3.34Å; S857-I859 PolarHBondContact O-N 3.46Å; I859-Q861 VanDerWaalsContact C-N 3.33Å; I859-Q861 PolarHBondContact O-N 3.02Å; I859-T862 VanDerWaalsContact O-CB 3.26Å; I859-T862 WeakPolarHBondContact O-CB 3.26Å; I859-T862 PolarHBondContact O-N 3.36Å; I859-T862 VanDerWaalsContact O-N 3.11Å; I859-Y863 PolarHBondContact O-N 2.67Å; I859-Y863 VanDerWaalsContact O-N 3.11Å; I859-F904 HydrophobicContact CB-CE2 4.29Å; I859-F904 HydrophobicContact CG2-CE2 3.85Å; I859-F904 HydrophobicContact CG2-CZ 4.41Å
860A85.7Confident80.3Confident0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-61.9-40174.300000112.4L856 S857 T862 Y863 A864 F904 F907 W908L856-A860 WeakPolarHBondContact O-CB 3.38Å; L856-A860 PolarHBondContact O-N 2.92Å; S857-A860 PolarHBondContact O-N 3.26Å; A860-T862 PolarHBondContact O-N 3.19Å; A860-Y863 WeakPolarHBondContact O-CB 3.41Å; A860-Y863 PolarHBondContact O-N 3.01Å; A860-A864 PolarHBondContact O-N 3.06Å; A860-F904 HydrophobicContact CB-CE2 4.15Å; A860-F907 HydrophobicContact CB-CB 3.66Å; A860-W908 HydrophobicContact CB-CB 4.42Å
861Q86.4Confident81.9Confident61 Ų6119.3 Ų19.329%0.28510%0.099SC..Hα-helixtrans-64.1-31.2174.3-165.6-168.913.900112.1S857 S858 I859 S865 W911S857-Q861 WeakPolarHBondContact O-CB 3.49Å; S857-Q861 PolarHBondContact O-N 3.41Å; S858-Q861 PolarHBondContact O-N 3.41Å; I859-Q861 VanDerWaalsContact C-N 3.33Å; I859-Q861 PolarHBondContact O-N 3.02Å; Q861-S865 WeakPolarHBondContact O-CB 3.38Å; Q861-S865 PolarHBondContact O-N 3.39Å; Q861-W911 HydrophobicContact CB-CD2 4.11Å; Q861-W911 HydrophobicContact CB-CG 4.2Å; Q861-W911 HydrophobicContact CG-CD2 4.11Å; Q861-W911 HydrophobicContact CG-CE3 4.07Å; Q861-W911 HydrophobicContact CG-CZ3 4.35Å
862T89.6Confident82.6Confident0 Ų021.7 Ų21.70%011%0.113CC..Hα-helixtrans-66.3-46.5173.9-57.70000110.7C794 I797 I817 S858 I859 A860 A864 S865 V866C794-T862 HydrophobicContact CB-CG2 4.03Å; C794-T862 WeakPolarHBondContact O-CG2 3.45Å; C794-T862 PolarHBondContact O-OG1 3.48Å; I797-T862 HydrophobicContact CB-CG2 3.76Å; I797-T862 HydrophobicContact CG2-CG2 3.7Å; I817-T862 HydrophobicContact CD1-CG2 3.97Å; S858-T862 PolarHBondContact O-N 3.03Å; S858-T862 PolarHBondContact O-OG1 3.14Å; I859-T862 VanDerWaalsContact O-CB 3.26Å; I859-T862 WeakPolarHBondContact O-CB 3.26Å; I859-T862 PolarHBondContact O-N 3.36Å; I859-T862 VanDerWaalsContact O-N 3.11Å; A860-T862 PolarHBondContact O-N 3.19Å; T862-A864 PolarHBondContact O-N 2.72Å; T862-S865 WeakPolarHBondContact O-CB 3.38Å; T862-S865 PolarHBondContact O-N 3.22Å; T862-S865 VanDerWaalsContact O-N 3.12Å; T862-V866 PolarHBondContact O-N 2.9Å
863Y91.8Very high83.2Confident0 Ų025.2 Ų25.20%014%0.142CC..Hα-helixtrans-56.1-50174.5-173.1-79.6000111.3L814 I817 M818 I859 A860 S865 V866 L867 H881 L882 W908L814-Y863 HydrophobicContact CB-CE2 3.89Å; L814-Y863 HydrophobicContact CD2-CD1 4.09Å; L814-Y863 HydrophobicContact CD2-CD2 3.69Å; L814-Y863 HydrophobicContact CD2-CE1 3.96Å; L814-Y863 HydrophobicContact CD2-CE2 3.57Å; L814-Y863 HydrophobicContact CD2-CG 3.95Å; L814-Y863 HydrophobicContact CG-CE2 4.24Å; I817-Y863 HydrophobicContact CG2-CD2 4.35Å; M818-Y863 HydrophobicContact CG-CD2 4.13Å; M818-Y863 HydrophobicContact CG-CE2 3.59Å; M818-Y863 HydrophobicContact SD-CD2 4.04Å; M818-Y863 HydrophobicContact SD-CE2 3.86Å; I859-Y863 PolarHBondContact O-N 2.67Å; I859-Y863 VanDerWaalsContact O-N 3.11Å; A860-Y863 WeakPolarHBondContact O-CB 3.41Å; A860-Y863 PolarHBondContact O-N 3.01Å; Y863-S865 VanDerWaalsContact C-N 3.27Å; Y863-S865 PolarHBondContact O-N 3.29Å; Y863-V866 PolarHBondContact O-N 3.13Å; Y863-V866 VanDerWaalsContact O-N 3.12Å; Y863-L867 PolarHBondContact O-N 2.59Å; Y863-L867 VanDerWaalsContact O-N 3.08Å; Y863-H881 AromaticContact CE2-NE2 3.96Å; Y863-H881 PolarHBondContact OH-CD2 2.73Å; Y863-H881 VanDerWaalsContact OH-CD2 3.23Å; Y863-H881 PolarHBondContact OH-NE2 3.5Å; Y863-L882 HydrophobicContact CE1-CD2 4.1Å; Y863-W908 AromaticContact CD1-CD1 3.65Å; Y863-W908 AromaticContact CD1-NE1 3.08Å; Y863-W908 AromaticContact CD2-NE1 3.64Å; Y863-W908 AromaticContact CE1-CE2 3.63Å; Y863-W908 AromaticContact CE1-CZ2 3.79Å; Y863-W908 HydrophobicContact CE1-CZ2 3.79Å; Y863-W908 AromaticContact CE1-NE1 3Å; Y863-W908 AromaticContact CE2-NE1 3.56Å; Y863-W908 AromaticContact CG-CD1 3.68Å; Y863-W908 AromaticContact CG-NE1 3.41Å; Y863-W908 AromaticContact CZ-CE2 3.91Å; Y863-W908 AromaticContact CZ-CZ2 3.95Å; Y863-W908 AromaticContact CZ-NE1 3.25Å
864A85.9Confident83.7Confident4 Ų422.7 Ų22.73%0.03313%0.131CC..Hα-helixtrans-60.5-35.9176.900000112.5A860 T862 L867 N868 W911A860-A864 PolarHBondContact O-N 3.06Å; T862-A864 PolarHBondContact O-N 2.72Å; A864-L867 PolarHBondContact O-N 3.11Å; A864-N868 WeakPolarHBondContact O-CB 3.17Å; A864-N868 PolarHBondContact O-N 2.84Å; A864-N868 PolarHBondContact O-OD1 3.34Å; A864-W911 VanDerWaalsContact CB-C 3.5Å; A864-W911 HydrophobicContact CB-CB 3.85Å; A864-W911 VanDerWaalsContact CB-O 3.29Å; A864-W911 WeakPolarHBondContact CB-O 3.5Å
865S87.6Confident84.1Confident11 Ų1122.2 Ų22.28%0.07713%0.13CC..Hα-helixtrans-65.6-36.9175.4-175.90000113G798 Q861 T862 Y863 K869G798-S865 PolarHBondContact O-OG 3.36Å; Q861-S865 WeakPolarHBondContact O-CB 3.38Å; Q861-S865 PolarHBondContact O-N 3.39Å; T862-S865 WeakPolarHBondContact O-CB 3.38Å; T862-S865 PolarHBondContact O-N 3.22Å; T862-S865 VanDerWaalsContact O-N 3.12Å; Y863-S865 VanDerWaalsContact C-N 3.27Å; Y863-S865 PolarHBondContact O-N 3.29Å; S865-K869 WeakPolarHBondContact O-CB 3.35Å; S865-K869 WeakPolarHBondContact O-CD 3.36Å; S865-K869 WeakPolarHBondContact O-CG 3.39Å; S865-K869 PolarHBondContact O-N 3.5Å; S865-K869 WeakPolarHBondContact OG-CE 3.01Å; S865-K869 PolarHBondContact OG-NZ 2.82Å; S865-K869 VanDerWaalsContact OG-NZ 3.11Å
866V89.2Confident84.3Confident0 Ų028 Ų280%016%0.16CC..Hα-helixtrans-67-43.9176.2174.60000109.5I797 V805 P810 L813 L814 I817 T862 Y863 N868 K869 S870I797-V866 HydrophobicContact CG2-CG2 3.35Å; V805-V866 HydrophobicContact CG1-CG1 3.89Å; P810-V866 HydrophobicContact CB-CG1 4.3Å; L813-V866 HydrophobicContact CB-CG1 4.2Å; L814-V866 HydrophobicContact CD2-CB 3.71Å; L814-V866 HydrophobicContact CD2-CG1 3.58Å; L814-V866 HydrophobicContact CG-CB 4.47Å; L814-V866 HydrophobicContact CG-CG1 3.79Å; I817-V866 HydrophobicContact CD1-CG2 4.19Å; T862-V866 PolarHBondContact O-N 2.9Å; Y863-V866 PolarHBondContact O-N 3.13Å; Y863-V866 VanDerWaalsContact O-N 3.12Å; V866-N868 VanDerWaalsContact C-N 3.31Å; V866-N868 PolarHBondContact O-N 3.27Å; V866-K869 PolarHBondContact O-N 3.14Å; V866-K869 VanDerWaalsContact O-N 3.1Å; V866-S870 PolarHBondContact O-N 3.2Å; V866-S870 VanDerWaalsContact O-N 3.15Å
867L86.2Confident84.4Confident0 Ų031.6 Ų31.60%018%0.18CC..Hα-helixtrans-60.3-38.6176.4-174.764.7000112.7Y863 A864 K869 S870 I878 L882 L916 W943Y863-L867 PolarHBondContact O-N 2.59Å; Y863-L867 VanDerWaalsContact O-N 3.08Å; A864-L867 PolarHBondContact O-N 3.11Å; L867-K869 VanDerWaalsContact C-N 3.25Å; L867-K869 PolarHBondContact O-N 3.49Å; L867-S870 PolarHBondContact O-OG 3.46Å; L867-I878 HydrophobicContact CD1-CG2 3.56Å; L867-L882 HydrophobicContact CD1-CD1 4.16Å; L867-L882 HydrophobicContact CD2-CD2 4.44Å; L867-L916 HydrophobicContact CD2-CD1 3.93Å; L867-L916 HydrophobicContact CD2-CD2 3.86Å; L867-L916 HydrophobicContact CD2-CG 3.92Å; L867-L916 HydrophobicContact CG-CD2 3.92Å; L867-W943 HydrophobicContact CD1-CD2 4.25Å; L867-W943 HydrophobicContact CD1-CE3 3.65Å; L867-W943 HydrophobicContact CD1-CZ3 3.84Å; L867-W943 HydrophobicContact CG-CE3 4.19Å; L867-W943 HydrophobicContact CG-CZ3 4.39Å; L867-W943 WeakPolarHBondContact O-CZ3 3.44Å
868N83.3Confident84.6Confident45 Ų4531.3 Ų31.324%0.24118%0.178CC..Hα-helixtrans-71.7-21.5177.8-70.4-2.2000113.4A864 V866 G915 L916 T919A864-N868 WeakPolarHBondContact O-CB 3.17Å; A864-N868 PolarHBondContact O-N 2.84Å; A864-N868 PolarHBondContact O-OD1 3.34Å; V866-N868 VanDerWaalsContact C-N 3.31Å; V866-N868 PolarHBondContact O-N 3.27Å; N868-G915 WeakPolarHBondContact ND2-CA 3.15Å; N868-G915 PolarHBondContact ND2-O 3.34Å; N868-G915 WeakPolarHBondContact OD1-CA 3.15Å; N868-G915 PolarHBondContact OD1-O 3.12Å; N868-L916 PolarHBondContact OD1-N 3.16Å; N868-T919 HydrophobicContact CB-CG2 3.91Å
869K86.2Confident84.5Confident42 Ų4232.9 Ų32.918%0.18319%0.187CC..Hα-helixtrans-98.6-8.5-175.3-71.8173.4-179.51670113.4G798 L800 P802 V805 N806 S865 V866 L867G798-K869 PolarHBondContact O-NZ 2.78Å; L800-K869 WeakPolarHBondContact O-CD 3.19Å; L800-K869 WeakPolarHBondContact O-CE 2.93Å; L800-K869 PolarHBondContact O-NZ 3.46Å; P802-K869 HydrophobicContact CB-CB 4.32Å; P802-K869 HydrophobicContact CG-CB 4.27Å; P802-K869 HydrophobicContact CG-CG 4.11Å; V805-K869 HydrophobicContact CB-CB 4.37Å; V805-K869 HydrophobicContact CG1-CB 4.3Å; V805-K869 HydrophobicContact CG2-CB 4.31Å; V805-K869 HydrophobicContact CG2-CD 4.24Å; N806-K869 PolarHBondContact ND2-O 3.43Å; N806-K869 VanDerWaalsContact ND2-O 3.15Å; S865-K869 WeakPolarHBondContact O-CB 3.35Å; S865-K869 WeakPolarHBondContact O-CD 3.36Å; S865-K869 WeakPolarHBondContact O-CG 3.39Å; S865-K869 PolarHBondContact O-N 3.5Å; S865-K869 WeakPolarHBondContact OG-CE 3.01Å; S865-K869 PolarHBondContact OG-NZ 2.82Å; S865-K869 VanDerWaalsContact OG-NZ 3.11Å; V866-K869 PolarHBondContact O-N 3.14Å; V866-K869 VanDerWaalsContact O-N 3.1Å; L867-K869 VanDerWaalsContact C-N 3.25Å; L867-K869 PolarHBondContact O-N 3.49Å
870S84.6Confident84.4Confident4 Ų436.9 Ų36.93%0.02821%0.208CC..  trans-74.9144.6176.843.40000112.7N806 V866 L867 I878 W943N806-S870 WeakPolarHBondContact OD1-CA 3.01Å; V866-S870 PolarHBondContact O-N 3.2Å; V866-S870 VanDerWaalsContact O-N 3.15Å; L867-S870 PolarHBondContact O-OG 3.46Å; S870-I878 VanDerWaalsContact OG-CD1 3.31Å; S870-I878 WeakPolarHBondContact OG-CD1 3.3Å; S870-W943 WeakPolarHBondContact OG-CH2 3.34Å; S870-W943 VanDerWaalsContact OG-CZ3 3.31Å; S870-W943 WeakPolarHBondContact OG-CZ3 3.29Å
871N82.2Confident84.4Confident66 Ų6637.9 Ų37.935%0.35321%0.213SC..  trans-104.1177.7179.569.89.2000113.3N806 A873 F874N806-N871 VanDerWaalsContact CG-CG 3.44Å; N806-N871 PolarHBondContact OD1-N 3.26Å; N806-N871 PolarHBondContact OD1-OD1 3.13Å; N871-A873 PolarHBondContact O-N 2.83Å; N871-A873 VanDerWaalsContact O-N 3.15Å; N871-A873 WeakPolarHBondContact OD1-CB 3.31Å; N871-A873 PolarHBondContact OD1-N 3.34Å; N871-F874 PolarHBondContact O-N 2.9Å; N871-F874 WeakPolarHBondContact OD1-CD2 3.3Å
872D77.2Confident84.3Confident69 Ų6935.1 Ų35.137%0.36920%0.2SC..G310 helixtrans-57.3-27.8-177.4-82.3-44.7000114.9F874 A875 H939D872-F874 PolarHBondContact O-N 3.35Å; D872-F874 VanDerWaalsContact O-N 3.12Å; D872-A875 WeakPolarHBondContact O-CB 3.36Å; D872-A875 PolarHBondContact O-N 3.31Å; D872-A875 VanDerWaalsContact O-N 3.07Å; D872-H939 IonicContact OD1-CE1 2.67Å; D872-H939 PolarHBondContact OD1-CE1 3.38Å; D872-H939 IonicContact OD1-CG 3.4Å; D872-H939 IonicContact OD1-ND1 3.45Å; D872-H939 PolarHBondContact OD1-ND1 2.91Å; D872-H939 IonicContact OD2-ND1 2.89Å
873A80.3Confident83.7Confident80 Ų8037.5 Ų37.566%0.66122%0.216SC*.G310 helixtrans-60.5-27.5-176.400000112.8N871N871-A873 PolarHBondContact O-N 2.83Å; N871-A873 VanDerWaalsContact O-N 3.15Å; N871-A873 WeakPolarHBondContact OD1-CB 3.31Å; N871-A873 PolarHBondContact OD1-N 3.34Å
874F82.5Confident83.3Confident41 Ų4140 Ų4018%0.1824%0.238CC..G310 helixtrans-107.410.7-179.5-59.7-82.4000112.9N806 P810 N871 D872 L876 D877 I878N806-F874 HydrophobicContact CB-CE2 4.18Å; N806-F874 VanDerWaalsContact O-CE2 3.28Å; N806-F874 WeakPolarHBondContact O-CE2 3.38Å; N806-F874 VanDerWaalsContact O-CZ 3.31Å; N806-F874 WeakPolarHBondContact O-CZ 3.37Å; P810-F874 VanDerWaalsContact CD-CE2 3.48Å; P810-F874 HydrophobicContact CG-CB 4.35Å; P810-F874 HydrophobicContact CG-CD2 3.73Å; P810-F874 HydrophobicContact CG-CE2 4.19Å; P810-F874 HydrophobicContact CG-CG 4.03Å; N871-F874 PolarHBondContact O-N 2.9Å; N871-F874 WeakPolarHBondContact OD1-CD2 3.3Å; D872-F874 PolarHBondContact O-N 3.35Å; D872-F874 VanDerWaalsContact O-N 3.12Å; F874-L876 VanDerWaalsContact C-N 3.3Å; F874-L876 PolarHBondContact O-N 3.46Å; F874-D877 PolarHBondContact O-N 3.39Å; F874-D877 VanDerWaalsContact O-N 3.1Å; F874-I878 HydrophobicContact CB-CD1 3.81Å; F874-I878 HydrophobicContact CB-CG1 4.1Å; F874-I878 WeakPolarHBondContact O-CB 3.49Å; F874-I878 VanDerWaalsContact O-CG1 3.31Å; F874-I878 WeakPolarHBondContact O-CG1 3.23Å; F874-I878 PolarHBondContact O-N 3.46Å
875A79.5Confident83.2Confident21 Ų2140.3 Ų40.317%0.17424%0.239CC..Hα-helixtrans-59.3-38.7-170.900000114D872 T879 H939 W943D872-A875 WeakPolarHBondContact O-CB 3.36Å; D872-A875 PolarHBondContact O-N 3.31Å; D872-A875 VanDerWaalsContact O-N 3.07Å; A875-T879 WeakPolarHBondContact O-CB 3.39Å; A875-T879 PolarHBondContact O-N 3.27Å; A875-T879 VanDerWaalsContact O-N 3.08Å; A875-T879 PolarHBondContact O-OG1 2.86Å; A875-H939 HydrophobicContact CB-CB 4.34Å; A875-W943 HydrophobicContact CB-CZ2 4.24Å; A875-W943 PolarHBondContact O-NE1 2.81Å
876L81.9Confident82.7Confident123 Ų12340.2 Ų40.264%0.64424%0.237SC*.Hα-helixtrans-68.5-46.3175-175.763.1000111.5F874 I878 T879 N880F874-L876 VanDerWaalsContact C-N 3.3Å; F874-L876 PolarHBondContact O-N 3.46Å; L876-I878 VanDerWaalsContact C-N 3.35Å; L876-I878 PolarHBondContact O-N 2.98Å; L876-T879 PolarHBondContact O-N 3.32Å; L876-N880 WeakPolarHBondContact O-CB 3.29Å; L876-N880 VanDerWaalsContact O-CG 3.23Å; L876-N880 PolarHBondContact O-N 3.46Å; L876-N880 PolarHBondContact O-ND2 3.48Å
877D83.5Confident82Confident78 Ų7844 Ų4442%0.41726%0.258SS..Hα-helixtrans-67.2-36.6-177.6-59.7-35.9000112V811 F874 N880 H881V811-D877 HydrophobicContact CG2-CB 3.64Å; F874-D877 PolarHBondContact O-N 3.39Å; F874-D877 VanDerWaalsContact O-N 3.1Å; D877-N880 PolarHBondContact O-N 3.14Å; D877-H881 VanDerWaalsContact O-CB 3.29Å; D877-H881 WeakPolarHBondContact O-CB 3.45Å; D877-H881 PolarHBondContact O-N 2.96Å
878I84.5Confident81.7Confident0 Ų048.3 Ų48.30%028%0.275CS..Hα-helixtrans-68-43.4174.5-69.2168.9000110.4P810 V811 L867 S870 F874 L876 N880 H881 L882 W943P810-I878 HydrophobicContact CB-CD1 4.2Å; V811-I878 HydrophobicContact CG2-CG1 3.74Å; L867-I878 HydrophobicContact CD1-CG2 3.56Å; S870-I878 VanDerWaalsContact OG-CD1 3.31Å; S870-I878 WeakPolarHBondContact OG-CD1 3.3Å; F874-I878 HydrophobicContact CB-CD1 3.81Å; F874-I878 HydrophobicContact CB-CG1 4.1Å; F874-I878 WeakPolarHBondContact O-CB 3.49Å; F874-I878 VanDerWaalsContact O-CG1 3.31Å; F874-I878 WeakPolarHBondContact O-CG1 3.23Å; F874-I878 PolarHBondContact O-N 3.46Å; L876-I878 VanDerWaalsContact C-N 3.35Å; L876-I878 PolarHBondContact O-N 2.98Å; I878-N880 VanDerWaalsContact C-N 3.3Å; I878-N880 PolarHBondContact O-N 3.34Å; I878-H881 PolarHBondContact O-N 2.89Å; I878-L882 HydrophobicContact CG2-CD1 3.98Å; I878-L882 HydrophobicContact CG2-CG 4.21Å; I878-L882 WeakPolarHBondContact O-CB 3.49Å; I878-L882 WeakPolarHBondContact O-CG 3.46Å; I878-L882 PolarHBondContact O-N 3.07Å; I878-W943 HydrophobicContact CB-CZ2 3.97Å; I878-W943 HydrophobicContact CD1-CH2 3.65Å; I878-W943 HydrophobicContact CD1-CZ2 3.68Å; I878-W943 HydrophobicContact CG1-CZ2 4.44Å; I878-W943 HydrophobicContact CG2-CD2 4.12Å; I878-W943 HydrophobicContact CG2-CE3 4.5Å; I878-W943 HydrophobicContact CG2-CH2 4.24Å; I878-W943 HydrophobicContact CG2-CZ2 3.82Å
879T80.1Confident81.4Confident46 Ų4646.3 Ų46.328%0.28226%0.264SS..Hα-helixtrans-59.6-45.3175.7-56.90000110.2A875 L876 H881 L882 S883 W943A875-T879 WeakPolarHBondContact O-CB 3.39Å; A875-T879 PolarHBondContact O-N 3.27Å; A875-T879 VanDerWaalsContact O-N 3.08Å; A875-T879 PolarHBondContact O-OG1 2.86Å; L876-T879 PolarHBondContact O-N 3.32Å; T879-H881 PolarHBondContact O-N 3.47Å; T879-L882 PolarHBondContact O-N 3.17Å; T879-S883 WeakPolarHBondContact O-CB 3.33Å; T879-S883 PolarHBondContact O-N 2.69Å; T879-S883 PolarHBondContact O-OG 3.11Å; T879-W943 PolarHBondContact OG1-NE1 3.46Å
880N83.7Confident80.5Confident84 Ų8444.6 Ų44.645%0.44926%0.256SS..Hα-helixtrans-61.4-44174.5-69.6-23.3000111.6L876 D877 I878 S883 A884L876-N880 WeakPolarHBondContact O-CB 3.29Å; L876-N880 VanDerWaalsContact O-CG 3.23Å; L876-N880 PolarHBondContact O-N 3.46Å; L876-N880 PolarHBondContact O-ND2 3.48Å; D877-N880 PolarHBondContact O-N 3.14Å; I878-N880 VanDerWaalsContact C-N 3.3Å; I878-N880 PolarHBondContact O-N 3.34Å; N880-S883 PolarHBondContact O-N 2.93Å; N880-S883 PolarHBondContact O-OG 2.83Å; N880-A884 WeakPolarHBondContact O-CB 3.2Å; N880-A884 PolarHBondContact O-N 2.69Å
881H86.5Confident79.8Confident20 Ų2046.8 Ų46.89%0.09327%0.272CS..Hα-helixtrans-65.9-43.3178.9-179.379.1000112.9V811 L814 T815 Y863 D877 I878 T879 S883 A884 T885V811-H881 HydrophobicContact CG1-CB 4.16Å; L814-H881 WeakPolarHBondContact CB-NE2 3.37Å; T815-H881 PolarHBondContact OG1-CE1 2.9Å; T815-H881 PolarHBondContact OG1-ND1 2.85Å; Y863-H881 AromaticContact CE2-NE2 3.96Å; Y863-H881 PolarHBondContact OH-CD2 2.73Å; Y863-H881 VanDerWaalsContact OH-CD2 3.23Å; Y863-H881 PolarHBondContact OH-NE2 3.5Å; D877-H881 VanDerWaalsContact O-CB 3.29Å; D877-H881 WeakPolarHBondContact O-CB 3.45Å; D877-H881 PolarHBondContact O-N 2.96Å; I878-H881 PolarHBondContact O-N 2.89Å; T879-H881 PolarHBondContact O-N 3.47Å; H881-S883 VanDerWaalsContact C-N 3.33Å; H881-A884 PolarHBondContact O-N 3.37Å; H881-T885 PolarHBondContact NE2-OG1 3.15Å; H881-T885 VanDerWaalsContact O-CB 3.25Å; H881-T885 WeakPolarHBondContact O-CB 3.21Å; H881-T885 PolarHBondContact O-N 2.93Å; H881-T885 PolarHBondContact O-OG1 3.24Å
882L83.9Confident79Confident4 Ų444.2 Ų44.22%0.02126%0.258CS..Hα-helixtrans-60-45.5174-72172.9000110.2Y863 L867 I878 T879 T885 L886 W908 W943 L947Y863-L882 HydrophobicContact CE1-CD2 4.1Å; L867-L882 HydrophobicContact CD1-CD1 4.16Å; L867-L882 HydrophobicContact CD2-CD2 4.44Å; I878-L882 HydrophobicContact CG2-CD1 3.98Å; I878-L882 HydrophobicContact CG2-CG 4.21Å; I878-L882 WeakPolarHBondContact O-CB 3.49Å; I878-L882 WeakPolarHBondContact O-CG 3.46Å; I878-L882 PolarHBondContact O-N 3.07Å; T879-L882 PolarHBondContact O-N 3.17Å; L882-T885 PolarHBondContact O-N 3.49Å; L882-L886 VanDerWaalsContact O-CB 3.29Å; L882-L886 WeakPolarHBondContact O-CB 3.16Å; L882-L886 PolarHBondContact O-N 3.16Å; L882-W908 HydrophobicContact CD2-CH2 4.43Å; L882-W908 HydrophobicContact CD2-CZ2 4.01Å; L882-W943 HydrophobicContact CD1-CB 4.23Å; L882-W943 HydrophobicContact CD1-CG 4.33Å; L882-L947 HydrophobicContact CB-CD2 4.4Å; L882-L947 HydrophobicContact CD1-CD1 4.27Å; L882-L947 HydrophobicContact CD1-CG 4.3Å; L882-L947 HydrophobicContact CD2-CD1 4.38Å; L882-L947 HydrophobicContact CD2-CD2 4.26Å
883S78Confident78.3Confident49 Ų4942.5 Ų42.534%0.34325%0.25SC..Hα-helixtrans-63.4-42.5177.277.70000112.4T879 N880 H881 L886 N887T879-S883 WeakPolarHBondContact O-CB 3.33Å; T879-S883 PolarHBondContact O-N 2.69Å; T879-S883 PolarHBondContact O-OG 3.11Å; N880-S883 PolarHBondContact O-N 2.93Å; N880-S883 PolarHBondContact O-OG 2.83Å; H881-S883 VanDerWaalsContact C-N 3.33Å; S883-L886 PolarHBondContact O-N 3.27Å; S883-N887 VanDerWaalsContact O-CB 3.31Å; S883-N887 WeakPolarHBondContact O-CB 3.44Å; S883-N887 PolarHBondContact O-N 3.35Å; S883-N887 PolarHBondContact O-ND2 2.77Å; S883-N887 VanDerWaalsContact O-ND2 3.12Å
884A82.7Confident77.3Confident54 Ų5445.3 Ų45.345%0.44625%0.249SC..Hα-helixtrans-67.1-42.1177.900000111.8N880 H881 N887 Y888N880-A884 WeakPolarHBondContact O-CB 3.2Å; N880-A884 PolarHBondContact O-N 2.69Å; H881-A884 PolarHBondContact O-N 3.37Å; A884-N887 PolarHBondContact O-N 3.47Å; A884-Y888 WeakPolarHBondContact O-CB 3.37Å; A884-Y888 PolarHBondContact O-N 3.45Å
885T83.1Confident76Confident10 Ų1050.7 Ų50.76%0.06128%0.275CS..Hα-helixtrans-63.2-45.3176.8-61.40000111M818 H881 L882 Y888 F889 W908M818-T885 HydrophobicContact CE-CG2 3.82Å; M818-T885 HydrophobicContact CG-CG2 4.22Å; M818-T885 HydrophobicContact SD-CG2 4Å; H881-T885 PolarHBondContact NE2-OG1 3.15Å; H881-T885 VanDerWaalsContact O-CB 3.25Å; H881-T885 WeakPolarHBondContact O-CB 3.21Å; H881-T885 PolarHBondContact O-N 2.93Å; H881-T885 PolarHBondContact O-OG1 3.24Å; L882-T885 PolarHBondContact O-N 3.49Å; T885-Y888 WeakPolarHBondContact O-CB 3.41Å; T885-Y888 PolarHBondContact O-N 3.24Å; T885-F889 HydrophobicContact CG2-CD2 4.06Å; T885-F889 HydrophobicContact CG2-CE1 4.49Å; T885-F889 HydrophobicContact CG2-CE2 3.58Å; T885-F889 HydrophobicContact CG2-CZ 3.84Å; T885-F889 WeakPolarHBondContact O-CG 3.47Å; T885-F889 PolarHBondContact O-N 2.97Å; T885-W908 HydrophobicContact CG2-CH2 4.46Å; T885-W908 HydrophobicContact CG2-CZ2 3.97Å
886L77.2Confident74.8Confident8 Ų852.4 Ų52.44%0.04228%0.281CS..Hα-helixtrans-64.9-44.2177.1-161.188.2000111.4L882 S883 Y888 F889 W890 W908 S950 V951L882-L886 VanDerWaalsContact O-CB 3.29Å; L882-L886 WeakPolarHBondContact O-CB 3.16Å; L882-L886 PolarHBondContact O-N 3.16Å; S883-L886 PolarHBondContact O-N 3.27Å; L886-Y888 VanDerWaalsContact C-N 3.3Å; L886-Y888 PolarHBondContact O-N 2.67Å; L886-F889 PolarHBondContact O-N 3.27Å; L886-W890 HydrophobicContact CD1-CZ2 4.29Å; L886-W890 HydrophobicContact CG-CZ2 4.35Å; L886-W890 VanDerWaalsContact O-CG 3.26Å; L886-W890 PolarHBondContact O-N 3.34Å; L886-W908 HydrophobicContact CD1-CH2 4.25Å; L886-W908 HydrophobicContact CD1-CZ3 3.94Å; L886-S950 VanDerWaalsContact CD2-CB 3.42Å; L886-S950 VanDerWaalsContact CD2-OG 3.28Å; L886-S950 WeakPolarHBondContact CD2-OG 3.5Å; L886-V951 HydrophobicContact CD1-CG2 4.11Å
887N74.4Confident73.5Confident81 Ų8154.3 Ų54.343%0.43329%0.292SS..Hα-helixtrans-60.1-39.6174.3-77.8-31.6000112.2S883 A884 W890 S891S883-N887 VanDerWaalsContact O-CB 3.31Å; S883-N887 WeakPolarHBondContact O-CB 3.44Å; S883-N887 PolarHBondContact O-N 3.35Å; S883-N887 PolarHBondContact O-ND2 2.77Å; S883-N887 VanDerWaalsContact O-ND2 3.12Å; A884-N887 PolarHBondContact O-N 3.47Å; N887-W890 PolarHBondContact O-N 3.35Å; N887-S891 WeakPolarHBondContact O-CB 3.4Å; N887-S891 PolarHBondContact O-N 2.65Å
888Y80.2Confident72.5Confident90 Ų9052.6 Ų52.635%0.35329%0.286SS..Hα-helixtrans-64.3-48.4175175.2-100.7000111.6T822 A884 T885 L886 W890 S891 I892 F901T822-Y888 HydrophobicContact CG2-CD1 4.36Å; T822-Y888 HydrophobicContact CG2-CE1 3.47Å; T822-Y888 VanDerWaalsContact CG2-CE1 3.47Å; A884-Y888 WeakPolarHBondContact O-CB 3.37Å; A884-Y888 PolarHBondContact O-N 3.45Å; T885-Y888 WeakPolarHBondContact O-CB 3.41Å; T885-Y888 PolarHBondContact O-N 3.24Å; L886-Y888 VanDerWaalsContact C-N 3.3Å; L886-Y888 PolarHBondContact O-N 2.67Å; Y888-W890 VanDerWaalsContact C-N 3.29Å; Y888-W890 PolarHBondContact O-N 3.24Å; Y888-S891 PolarHBondContact O-N 3.46Å; Y888-S891 VanDerWaalsContact O-N 3.16Å; Y888-S891 PolarHBondContact O-OG 3.43Å; Y888-I892 HydrophobicContact CD1-CD1 4.04Å; Y888-I892 HydrophobicContact CD2-CD1 4.25Å; Y888-I892 HydrophobicContact CE1-CD1 3.32Å; Y888-I892 HydrophobicContact CE1-CG1 4.41Å; Y888-I892 HydrophobicContact CE2-CD1 3.59Å; Y888-I892 HydrophobicContact CE2-CG1 4.28Å; Y888-I892 HydrophobicContact CG-CD1 4.47Å; Y888-I892 PolarHBondContact O-N 3.1Å; Y888-I892 WeakPolarHBondContact OH-CD1 3.26Å; Y888-F901 HydrophobicContact CE1-CZ 4.23Å
889F76.3Confident71.6Confident2 Ų257.7 Ų57.71%0.00932%0.317CS..Hα-helixtrans-56.4-45.6174.3-69.3-28.2000111.4M818 T885 L886 S891 I892 T893 F901 F904 I905 W908M818-F889 HydrophobicContact CE-CE1 3.34Å; M818-F889 HydrophobicContact CE-CE2 4.26Å; M818-F889 HydrophobicContact CE-CZ 3.18Å; M818-F889 HydrophobicContact SD-CZ 4.02Å; T885-F889 HydrophobicContact CG2-CD2 4.06Å; T885-F889 HydrophobicContact CG2-CE1 4.49Å; T885-F889 HydrophobicContact CG2-CE2 3.58Å; T885-F889 HydrophobicContact CG2-CZ 3.84Å; T885-F889 WeakPolarHBondContact O-CG 3.47Å; T885-F889 PolarHBondContact O-N 2.97Å; L886-F889 PolarHBondContact O-N 3.27Å; F889-S891 PolarHBondContact O-N 2.78Å; F889-I892 PolarHBondContact O-N 3.23Å; F889-T893 VanDerWaalsContact O-CG2 3.23Å; F889-T893 WeakPolarHBondContact O-CG2 3.49Å; F889-T893 PolarHBondContact O-N 3.47Å; F889-T893 PolarHBondContact O-OG1 2.79Å; F889-T893 VanDerWaalsContact O-OG1 3.1Å; F889-F901 HydrophobicContact CD1-CE1 4.06Å; F889-F901 AromaticContact CD1-CZ 3.8Å; F889-F901 HydrophobicContact CD1-CZ 3.8Å; F889-F901 HydrophobicContact CE1-CE1 4.46Å; F889-F901 HydrophobicContact CE1-CE2 4.5Å; F889-F901 AromaticContact CE1-CZ 3.86Å; F889-F901 HydrophobicContact CE1-CZ 3.86Å; F889-F904 HydrophobicContact CZ-CE1 4.14Å; F889-I905 HydrophobicContact CB-CD1 4.13Å; F889-I905 HydrophobicContact CB-CG1 4.44Å; F889-I905 HydrophobicContact CD1-CD1 4.01Å; F889-I905 HydrophobicContact CD1-CG1 3.84Å; F889-I905 HydrophobicContact CD2-CG1 4.16Å; F889-I905 HydrophobicContact CD2-CG2 4.31Å; F889-I905 HydrophobicContact CE1-CG1 3.99Å; F889-I905 HydrophobicContact CE2-CG1 4.3Å; F889-I905 HydrophobicContact CG-CD1 4.08Å; F889-I905 HydrophobicContact CG-CG1 3.92Å; F889-I905 HydrophobicContact CZ-CG1 4.21Å; F889-W908 HydrophobicContact CD2-CE3 4.24Å; F889-W908 HydrophobicContact CD2-CZ3 4.31Å; F889-W908 AromaticContact CE2-CD2 3.69Å; F889-W908 HydrophobicContact CE2-CD2 3.69Å; F889-W908 AromaticContact CE2-CE3 3.7Å; F889-W908 HydrophobicContact CE2-CE3 3.7Å; F889-W908 HydrophobicContact CE2-CG 4.14Å; F889-W908 HydrophobicContact CE2-CH2 4.43Å; F889-W908 HydrophobicContact CE2-CZ2 4.42Å; F889-W908 HydrophobicContact CE2-CZ3 4.08Å; F889-W908 HydrophobicContact CZ-CD2 4.45Å; F889-W908 HydrophobicContact CZ-CG 4.49Å
890W68.3Low71Confident7 Ų756.9 Ų56.93%0.02731%0.311CS..Hα-helixtrans-59.4-45.6175.6-63.8143.7000113L886 N887 Y888 I892 T893 E894 R981 Y984L886-W890 HydrophobicContact CD1-CZ2 4.29Å; L886-W890 HydrophobicContact CG-CZ2 4.35Å; L886-W890 VanDerWaalsContact O-CG 3.26Å; L886-W890 PolarHBondContact O-N 3.34Å; N887-W890 PolarHBondContact O-N 3.35Å; Y888-W890 VanDerWaalsContact C-N 3.29Å; Y888-W890 PolarHBondContact O-N 3.24Å; W890-I892 VanDerWaalsContact C-N 3.26Å; W890-I892 PolarHBondContact O-N 2.98Å; W890-T893 WeakPolarHBondContact CA-OG1 3.46Å; W890-T893 PolarHBondContact O-N 3.25Å; W890-T893 PolarHBondContact O-OG1 3.07Å; W890-E894 PolarHBondContact O-N 3.12Å; W890-R981 HydrophobicContact CB-CG 4.3Å; W890-R981 VanDerWaalsContact CD1-CD 3.49Å; W890-R981 HydrophobicContact CD2-CB 3.86Å; W890-R981 HydrophobicContact CD2-CG 3.63Å; W890-R981 HydrophobicContact CE3-CB 4.01Å; W890-R981 HydrophobicContact CE3-CG 3.98Å; W890-R981 HydrophobicContact CG-CB 4.45Å; W890-R981 HydrophobicContact CG-CG 3.75Å; W890-R981 HydrophobicContact CH2-CB 4.16Å; W890-R981 VanDerWaalsContact CH2-O 3.28Å; W890-R981 WeakPolarHBondContact CH2-O 3.48Å; W890-R981 HydrophobicContact CZ2-CB 3.96Å; W890-R981 HydrophobicContact CZ3-CB 4.17Å; W890-Y984 HydrophobicContact CH2-CD1 4.1Å; W890-Y984 AromaticContact CZ3-CD1 3.49Å; W890-Y984 HydrophobicContact CZ3-CD1 3.49Å; W890-Y984 VanDerWaalsContact CZ3-CD1 3.49Å; W890-Y984 HydrophobicContact CZ3-CE1 4.02Å; W890-Y984 HydrophobicContact CZ3-CG 4.12Å
891S68.9Low70.5Confident50 Ų5053.1 Ų53.135%0.3529%0.291SS..Hα-helixtrans-60.6-34.4177.974.60000113.4N887 Y888 F889 Q895N887-S891 WeakPolarHBondContact O-CB 3.4Å; N887-S891 PolarHBondContact O-N 2.65Å; Y888-S891 PolarHBondContact O-N 3.46Å; Y888-S891 VanDerWaalsContact O-N 3.16Å; Y888-S891 PolarHBondContact O-OG 3.43Å; F889-S891 PolarHBondContact O-N 2.78Å; S891-Q895 WeakPolarHBondContact O-CG 3.4Å
892I67Low69.7Low12 Ų1253.8 Ų53.86%0.06229%0.294CS..Hα-helixtrans-80.4-39179.8-71.5-174.9000111.7Y888 F889 W890 E894 Q895 N896 F901Y888-I892 HydrophobicContact CD1-CD1 4.04Å; Y888-I892 HydrophobicContact CD2-CD1 4.25Å; Y888-I892 HydrophobicContact CE1-CD1 3.32Å; Y888-I892 HydrophobicContact CE1-CG1 4.41Å; Y888-I892 HydrophobicContact CE2-CD1 3.59Å; Y888-I892 HydrophobicContact CE2-CG1 4.28Å; Y888-I892 HydrophobicContact CG-CD1 4.47Å; Y888-I892 PolarHBondContact O-N 3.1Å; Y888-I892 WeakPolarHBondContact OH-CD1 3.26Å; F889-I892 PolarHBondContact O-N 3.23Å; W890-I892 VanDerWaalsContact C-N 3.26Å; W890-I892 PolarHBondContact O-N 2.98Å; I892-E894 PolarHBondContact O-N 3.42Å; I892-Q895 CarbonylContact O-C 3.57Å; I892-Q895 PolarHBondContact O-N 2.96Å; I892-N896 HydrophobicContact CG2-CB 3.87Å; I892-N896 PolarHBondContact O-N 3.39Å; I892-F901 HydrophobicContact CB-CE1 4.07Å; I892-F901 HydrophobicContact CD1-CE1 4.2Å; I892-F901 HydrophobicContact CD1-CZ 4.05Å; I892-F901 HydrophobicContact CG2-CD1 3.91Å; I892-F901 HydrophobicContact CG2-CE1 3.53Å; I892-F901 HydrophobicContact CG2-CZ 4.34Å
893T62.4Low69Low33 Ų3353.9 Ų53.920%0.20230%0.295CS..Hα-helixtrans-64.2-25179.252.50000112.7F889 W890 Q895 I905 Y984F889-T893 VanDerWaalsContact O-CG2 3.23Å; F889-T893 WeakPolarHBondContact O-CG2 3.49Å; F889-T893 PolarHBondContact O-N 3.47Å; F889-T893 PolarHBondContact O-OG1 2.79Å; F889-T893 VanDerWaalsContact O-OG1 3.1Å; W890-T893 WeakPolarHBondContact CA-OG1 3.46Å; W890-T893 PolarHBondContact O-N 3.25Å; W890-T893 PolarHBondContact O-OG1 3.07Å; T893-Q895 VanDerWaalsContact C-N 3.29Å; T893-I905 HydrophobicContact CG2-CD1 3.94Å; T893-Y984 HydrophobicContact CG2-CD2 4.29Å; T893-Y984 HydrophobicContact CG2-CE1 3.83Å; T893-Y984 HydrophobicContact CG2-CE2 3.45Å; T893-Y984 VanDerWaalsContact CG2-CE2 3.45Å; T893-Y984 WeakPolarHBondContact CG2-OH 3.47Å
894E58.1Low69.1Low138 Ų13851.6 Ų51.665%0.64528%0.278SS*.THydrogen-bonded Turntrans-73.6-17.9170.8-71176.4-17100113W890 I892W890-E894 PolarHBondContact O-N 3.12Å; I892-E894 PolarHBondContact O-N 3.42Å
895Q55.6Low68.7Low155 Ų15549.3 Ų49.372%0.72426%0.259SS*.THydrogen-bonded Turntrans-117.2-33.2-171-64.7-177.54.800115.2S891 I892 T893S891-Q895 WeakPolarHBondContact O-CG 3.4Å; I892-Q895 CarbonylContact O-C 3.57Å; I892-Q895 PolarHBondContact O-N 2.96Å; T893-Q895 VanDerWaalsContact C-N 3.29Å
896N54.7Low68.2Low56 Ų5649 Ų4930%0.29926%0.257SS..  trans-124134.6-168.2-76.1-28.5000113.2I892I892-N896 HydrophobicContact CG2-CB 3.87Å; I892-N896 PolarHBondContact O-N 3.39Å
897N53.5Low68.2Low163 Ų16348.6 Ų48.687%0.87226%0.255SS*.  trans-101.326.5-177.7-78.3-11000114.8V899N897-V899 PolarHBondContact O-N 2.66Å
898S63.2Low68.7Low42 Ų4244.8 Ų44.829%0.29423%0.234SC..  trans-74.5115.4-179.555.60000112.2D900 F901 H902S898-D900 VanDerWaalsContact C-N 3.32Å; S898-D900 PolarHBondContact O-N 3.39Å; S898-F901 PolarHBondContact O-N 2.82Å; S898-F901 WeakPolarHBondContact OG-CB 3Å; S898-H902 PolarHBondContact O-N 3.42Å; S898-H902 VanDerWaalsContact O-N 3.09Å
899V65.7Low68.6Low107 Ų10740.8 Ų40.865%0.64822%0.219SC*.Hα-helixtrans-59.5-37.5-179.1-179.60000112.7N897 H902 T903N897-V899 PolarHBondContact O-N 2.66Å; V899-H902 WeakPolarHBondContact O-CB 3.33Å; V899-H902 PolarHBondContact O-N 3.34Å; V899-T903 WeakPolarHBondContact O-CB 3.45Å; V899-T903 PolarHBondContact O-N 3.5Å; V899-T903 PolarHBondContact O-OG1 3.36Å
900D67.5Low68.5Low30 Ų3040.8 Ų40.816%0.1622%0.219CC..Hα-helixtrans-67.6-40.5179.6-70.8-3.8000111.9L825 S849 S898 T903 F904L825-D900 HydrophobicContact CD2-CB 3.97Å; S849-D900 WeakPolarHBondContact CA-OD2 3.25Å; S898-D900 VanDerWaalsContact C-N 3.32Å; S898-D900 PolarHBondContact O-N 3.39Å; D900-T903 PolarHBondContact O-N 2.95Å; D900-F904 PolarHBondContact O-N 3.23Å
901F73.6Confident69Low4 Ų441.4 Ų41.42%0.01822%0.221CC..Hα-helixtrans-66.1-40.4175.3-164.5-106.2000111.4T822 L825 Y888 F889 I892 S898 F904 I905T822-F901 HydrophobicContact CG2-CE2 3.96Å; T822-F901 HydrophobicContact CG2-CZ 4.22Å; L825-F901 HydrophobicContact CB-CD2 3.63Å; L825-F901 HydrophobicContact CB-CE2 4.37Å; L825-F901 HydrophobicContact CD1-CB 4.49Å; L825-F901 HydrophobicContact CD1-CD2 3.59Å; L825-F901 HydrophobicContact CD1-CE2 4.33Å; L825-F901 HydrophobicContact CD1-CG 4.5Å; L825-F901 HydrophobicContact CG-CD2 4.23Å; Y888-F901 HydrophobicContact CE1-CZ 4.23Å; F889-F901 HydrophobicContact CD1-CE1 4.06Å; F889-F901 AromaticContact CD1-CZ 3.8Å; F889-F901 HydrophobicContact CD1-CZ 3.8Å; F889-F901 HydrophobicContact CE1-CE1 4.46Å; F889-F901 HydrophobicContact CE1-CE2 4.5Å; F889-F901 AromaticContact CE1-CZ 3.86Å; F889-F901 HydrophobicContact CE1-CZ 3.86Å; I892-F901 HydrophobicContact CB-CE1 4.07Å; I892-F901 HydrophobicContact CD1-CE1 4.2Å; I892-F901 HydrophobicContact CD1-CZ 4.05Å; I892-F901 HydrophobicContact CG2-CD1 3.91Å; I892-F901 HydrophobicContact CG2-CE1 3.53Å; I892-F901 HydrophobicContact CG2-CZ 4.34Å; S898-F901 PolarHBondContact O-N 2.82Å; S898-F901 WeakPolarHBondContact OG-CB 3Å; F901-F904 PolarHBondContact O-N 2.79Å; F901-I905 HydrophobicContact CD1-CD1 3.57Å; F901-I905 HydrophobicContact CD1-CG1 4.33Å; F901-I905 HydrophobicContact CE1-CD1 3.53Å; F901-I905 HydrophobicContact CE1-CG1 4.24Å; F901-I905 HydrophobicContact CZ-CD1 4.42Å; F901-I905 WeakPolarHBondContact O-CG1 3.21Å; F901-I905 PolarHBondContact O-N 3.09Å
902H68.8Low69.7Low34 Ų3439 Ų3916%0.15721%0.205CC..Hα-helixtrans-56.3-51.9171.9-169.980.6000110.4S898 V899 F904 I905 C906 Y984 Q991S898-H902 PolarHBondContact O-N 3.42Å; S898-H902 VanDerWaalsContact O-N 3.09Å; V899-H902 WeakPolarHBondContact O-CB 3.33Å; V899-H902 PolarHBondContact O-N 3.34Å; H902-F904 VanDerWaalsContact C-N 3.31Å; H902-F904 PolarHBondContact O-N 2.82Å; H902-I905 PolarHBondContact O-N 3.21Å; H902-I905 VanDerWaalsContact O-N 3.11Å; H902-C906 PolarHBondContact O-N 3.09Å; H902-C906 PolarHBondContact O-SG 2.78Å; H902-Y984 AromaticContact CE1-CD2 3.56Å; H902-Y984 AromaticContact CE1-CE1 3.75Å; H902-Y984 AromaticContact CE1-CE2 3.06Å; H902-Y984 WeakPolarHBondContact CE1-CE2 3.37Å; H902-Y984 AromaticContact CE1-CZ 3.16Å; H902-Y984 PolarHBondContact CE1-OH 3.19Å; H902-Y984 AromaticContact ND1-CD2 3.86Å; H902-Y984 AromaticContact ND1-CE1 3.83Å; H902-Y984 AromaticContact ND1-CE2 2.9Å; H902-Y984 WeakPolarHBondContact ND1-CE2 3.17Å; H902-Y984 AromaticContact ND1-CZ 2.87Å; H902-Y984 PolarHBondContact ND1-OH 3.28Å; H902-Q991 PolarHBondContact CD2-OE1 2.9Å; H902-Q991 VanDerWaalsContact CD2-OE1 3.25Å; H902-Q991 PolarHBondContact NE2-OE1 3.4Å
903T69.9Low70Confident7 Ų738.7 Ų38.74%0.04320%0.203CC..Hα-helixtrans-58.2-40.8179.2-55.90000112.3K853 L856 V899 D900 C906 F907 I995K853-T903 HydrophobicContact CG-CG2 4.48Å; L856-T903 HydrophobicContact CD1-CG2 4.15Å; V899-T903 WeakPolarHBondContact O-CB 3.45Å; V899-T903 PolarHBondContact O-N 3.5Å; V899-T903 PolarHBondContact O-OG1 3.36Å; D900-T903 PolarHBondContact O-N 2.95Å; T903-C906 WeakPolarHBondContact O-CB 3.14Å; T903-C906 PolarHBondContact O-N 3.22Å; T903-F907 HydrophobicContact CG2-CD2 3.93Å; T903-F907 HydrophobicContact CG2-CE2 3.53Å; T903-F907 HydrophobicContact CG2-CZ 4.33Å; T903-F907 VanDerWaalsContact O-CD2 3.29Å; T903-F907 WeakPolarHBondContact O-CD2 3.12Å; T903-F907 PolarHBondContact O-N 3.38Å; T903-F907 VanDerWaalsContact O-N 3.07Å; T903-I995 HydrophobicContact CG2-CD1 4.14Å
904F79.6Confident70.4Confident0 Ų040 Ų400%020%0.204CC..Hα-helixtrans-63.7-45.3175177.2-104.7000112.4M818 I821 L825 L856 I859 A860 F889 D900 F901 H902 C906 F907 W908M818-F904 HydrophobicContact CE-CE1 4.37Å; M818-F904 HydrophobicContact SD-CE1 4.37Å; I821-F904 HydrophobicContact CB-CE1 4.45Å; I821-F904 HydrophobicContact CB-CZ 4.29Å; I821-F904 HydrophobicContact CG1-CD1 4.12Å; I821-F904 HydrophobicContact CG1-CD2 3.97Å; I821-F904 HydrophobicContact CG1-CE1 3.98Å; I821-F904 HydrophobicContact CG1-CE2 3.83Å; I821-F904 HydrophobicContact CG1-CG 4.11Å; I821-F904 HydrophobicContact CG1-CZ 3.83Å; I821-F904 HydrophobicContact CG2-CD1 4.35Å; I821-F904 HydrophobicContact CG2-CE1 3.59Å; I821-F904 HydrophobicContact CG2-CE2 4.48Å; I821-F904 HydrophobicContact CG2-CZ 3.67Å; L825-F904 HydrophobicContact CD1-CB 4.1Å; L825-F904 HydrophobicContact CD1-CD1 4.47Å; L825-F904 HydrophobicContact CD1-CG 4.3Å; L856-F904 HydrophobicContact CD2-CB 4.25Å; L856-F904 HydrophobicContact CD2-CD2 4.26Å; I859-F904 HydrophobicContact CB-CE2 4.29Å; I859-F904 HydrophobicContact CG2-CE2 3.85Å; I859-F904 HydrophobicContact CG2-CZ 4.41Å; A860-F904 HydrophobicContact CB-CE2 4.15Å; F889-F904 HydrophobicContact CZ-CE1 4.14Å; D900-F904 PolarHBondContact O-N 3.23Å; F901-F904 PolarHBondContact O-N 2.79Å; H902-F904 VanDerWaalsContact C-N 3.31Å; H902-F904 PolarHBondContact O-N 2.82Å; F904-C906 PolarHBondContact O-N 3.26Å; F904-F907 PolarHBondContact O-N 3.26Å; F904-W908 HydrophobicContact CE1-CB 4.45Å; F904-W908 HydrophobicContact CZ-CB 4.48Å; F904-W908 WeakPolarHBondContact O-CB 3.47Å; F904-W908 PolarHBondContact O-N 3.44Å
905I75.3Confident71Confident7 Ų733.8 Ų33.84%0.03618%0.177CC..Hα-helixtrans-58.4-41.4176.2-67.1163.8000110.3F889 T893 F901 H902 W908 L909 Y984F889-I905 HydrophobicContact CB-CD1 4.13Å; F889-I905 HydrophobicContact CB-CG1 4.44Å; F889-I905 HydrophobicContact CD1-CD1 4.01Å; F889-I905 HydrophobicContact CD1-CG1 3.84Å; F889-I905 HydrophobicContact CD2-CG1 4.16Å; F889-I905 HydrophobicContact CD2-CG2 4.31Å; F889-I905 HydrophobicContact CE1-CG1 3.99Å; F889-I905 HydrophobicContact CE2-CG1 4.3Å; F889-I905 HydrophobicContact CG-CD1 4.08Å; F889-I905 HydrophobicContact CG-CG1 3.92Å; F889-I905 HydrophobicContact CZ-CG1 4.21Å; T893-I905 HydrophobicContact CG2-CD1 3.94Å; F901-I905 HydrophobicContact CD1-CD1 3.57Å; F901-I905 HydrophobicContact CD1-CG1 4.33Å; F901-I905 HydrophobicContact CE1-CD1 3.53Å; F901-I905 HydrophobicContact CE1-CG1 4.24Å; F901-I905 HydrophobicContact CZ-CD1 4.42Å; F901-I905 WeakPolarHBondContact O-CG1 3.21Å; F901-I905 PolarHBondContact O-N 3.09Å; H902-I905 PolarHBondContact O-N 3.21Å; H902-I905 VanDerWaalsContact O-N 3.11Å; I905-W908 PolarHBondContact O-N 3.14Å; I905-L909 WeakPolarHBondContact O-CB 3.36Å; I905-L909 PolarHBondContact O-N 3.49Å; I905-Y984 WeakPolarHBondContact CD1-OH 3.25Å; I905-Y984 HydrophobicContact CG2-CE1 4.07Å
906C71.6Confident71.9Confident2 Ų226.4 Ų26.41%0.01414%0.143CC..Hα-helixtrans-58.5-50.9176.2-55.60000111.7H902 T903 F904 L910 C988 A992H902-C906 PolarHBondContact O-N 3.09Å; H902-C906 PolarHBondContact O-SG 2.78Å; T903-C906 WeakPolarHBondContact O-CB 3.14Å; T903-C906 PolarHBondContact O-N 3.22Å; F904-C906 PolarHBondContact O-N 3.26Å; C906-L910 VanDerWaalsContact O-CB 3.32Å; C906-L910 WeakPolarHBondContact O-CB 3.07Å; C906-L910 PolarHBondContact O-N 2.9Å; C906-L910 VanDerWaalsContact O-N 3.09Å; C906-C988 HydrophobicContact CB-CB 4.06Å; C906-C988 WeakPolarHBondContact SG-CA 3.45Å; C906-C988 WeakPolarHBondContact SG-CB 3.33Å; C906-C988 PolarHBondContact SG-SG 3.19Å; C906-A992 HydrophobicContact CB-CB 4.02Å
907F78.3Confident72.6Confident1 Ų123.9 Ų23.90%0.00413%0.129CC..Hα-helixtrans-65.3-39.4177.9-71.8-48.9000112.6K853 L856 A860 T903 F904 L910 W911 I995 L996K853-F907 HydrophobicContact CB-CE2 4.36Å; K853-F907 HydrophobicContact CB-CZ 4.41Å; K853-F907 VanDerWaalsContact O-CE2 3.27Å; K853-F907 WeakPolarHBondContact O-CE2 3.48Å; L856-F907 HydrophobicContact CB-CD2 3.93Å; L856-F907 HydrophobicContact CB-CE2 4.19Å; A860-F907 HydrophobicContact CB-CB 3.66Å; T903-F907 HydrophobicContact CG2-CD2 3.93Å; T903-F907 HydrophobicContact CG2-CE2 3.53Å; T903-F907 HydrophobicContact CG2-CZ 4.33Å; T903-F907 VanDerWaalsContact O-CD2 3.29Å; T903-F907 WeakPolarHBondContact O-CD2 3.12Å; T903-F907 PolarHBondContact O-N 3.38Å; T903-F907 VanDerWaalsContact O-N 3.07Å; F904-F907 PolarHBondContact O-N 3.26Å; F907-L910 PolarHBondContact O-N 2.8Å; F907-W911 WeakPolarHBondContact O-CB 3.4Å; F907-W911 PolarHBondContact O-N 3.31Å; F907-I995 HydrophobicContact CE1-CG2 4.27Å; F907-I995 HydrophobicContact CZ-CB 4.46Å; F907-I995 HydrophobicContact CZ-CG2 3.63Å; F907-L996 HydrophobicContact CE1-CD2 3.9Å; F907-L996 HydrophobicContact CE1-CG 4.04Å
908W84.8Confident73.1Confident1 Ų118.2 Ų18.20%0.00411%0.105CC..Hα-helixtrans-59.5-48.6178.1175.888000111.4A860 Y863 L882 T885 L886 F889 F904 I905 S912 L947A860-W908 HydrophobicContact CB-CB 4.42Å; Y863-W908 AromaticContact CD1-CD1 3.65Å; Y863-W908 AromaticContact CD1-NE1 3.08Å; Y863-W908 AromaticContact CD2-NE1 3.64Å; Y863-W908 AromaticContact CE1-CE2 3.63Å; Y863-W908 AromaticContact CE1-CZ2 3.79Å; Y863-W908 HydrophobicContact CE1-CZ2 3.79Å; Y863-W908 AromaticContact CE1-NE1 3Å; Y863-W908 AromaticContact CE2-NE1 3.56Å; Y863-W908 AromaticContact CG-CD1 3.68Å; Y863-W908 AromaticContact CG-NE1 3.41Å; Y863-W908 AromaticContact CZ-CE2 3.91Å; Y863-W908 AromaticContact CZ-CZ2 3.95Å; Y863-W908 AromaticContact CZ-NE1 3.25Å; L882-W908 HydrophobicContact CD2-CH2 4.43Å; L882-W908 HydrophobicContact CD2-CZ2 4.01Å; T885-W908 HydrophobicContact CG2-CH2 4.46Å; T885-W908 HydrophobicContact CG2-CZ2 3.97Å; L886-W908 HydrophobicContact CD1-CH2 4.25Å; L886-W908 HydrophobicContact CD1-CZ3 3.94Å; F889-W908 HydrophobicContact CD2-CE3 4.24Å; F889-W908 HydrophobicContact CD2-CZ3 4.31Å; F889-W908 AromaticContact CE2-CD2 3.69Å; F889-W908 HydrophobicContact CE2-CD2 3.69Å; F889-W908 AromaticContact CE2-CE3 3.7Å; F889-W908 HydrophobicContact CE2-CE3 3.7Å; F889-W908 HydrophobicContact CE2-CG 4.14Å; F889-W908 HydrophobicContact CE2-CH2 4.43Å; F889-W908 HydrophobicContact CE2-CZ2 4.42Å; F889-W908 HydrophobicContact CE2-CZ3 4.08Å; F889-W908 HydrophobicContact CZ-CD2 4.45Å; F889-W908 HydrophobicContact CZ-CG 4.49Å; F904-W908 HydrophobicContact CE1-CB 4.45Å; F904-W908 HydrophobicContact CZ-CB 4.48Å; F904-W908 WeakPolarHBondContact O-CB 3.47Å; F904-W908 PolarHBondContact O-N 3.44Å; I905-W908 PolarHBondContact O-N 3.14Å; W908-S912 WeakPolarHBondContact O-CB 3.32Å; W908-S912 PolarHBondContact O-N 2.93Å; W908-S912 PolarHBondContact O-OG 2.89Å; W908-L947 HydrophobicContact CH2-CD2 3.91Å; W908-L947 HydrophobicContact CZ3-CD2 4.47Å
909L78.1Confident73.3Confident6 Ų617 Ų173%0.03110%0.096CC..Hα-helixtrans-64.7-44.8179.9-174.266.2000110.9I905 I913 V951 F989I905-L909 WeakPolarHBondContact O-CB 3.36Å; I905-L909 PolarHBondContact O-N 3.49Å; L909-I913 HydrophobicContact CD1-CD1 3.89Å; L909-I913 HydrophobicContact CG-CD1 3.97Å; L909-I913 WeakPolarHBondContact O-CG1 3.23Å; L909-I913 PolarHBondContact O-N 3.29Å; L909-I913 VanDerWaalsContact O-N 3.08Å; L909-V951 HydrophobicContact CD1-CG2 3.83Å; L909-V951 HydrophobicContact CD2-CG2 4.48Å; L909-F989 HydrophobicContact CD2-CD2 4.34Å; L909-F989 HydrophobicContact CD2-CE1 4.04Å; L909-F989 HydrophobicContact CD2-CE2 3.54Å; L909-F989 HydrophobicContact CD2-CZ 3.36Å; L909-F989 HydrophobicContact CG-CE1 4.12Å; L909-F989 HydrophobicContact CG-CE2 4.38Å; L909-F989 HydrophobicContact CG-CZ 3.69Å
910L74Confident73Confident1 Ų112.5 Ų12.51%0.0057%0.068CC..Hα-helixtrans-61.5-55-179.7-171.380.3000112.2C906 F907 S912 I913 R914 F989 A992 L996 C1007C906-L910 VanDerWaalsContact O-CB 3.32Å; C906-L910 WeakPolarHBondContact O-CB 3.07Å; C906-L910 PolarHBondContact O-N 2.9Å; C906-L910 VanDerWaalsContact O-N 3.09Å; F907-L910 PolarHBondContact O-N 2.8Å; L910-S912 VanDerWaalsContact C-N 3.33Å; L910-S912 PolarHBondContact O-N 3.41Å; L910-I913 PolarHBondContact O-N 2.99Å; L910-R914 VanDerWaalsContact O-CB 3.3Å; L910-R914 WeakPolarHBondContact O-CB 3.44Å; L910-R914 PolarHBondContact O-N 3.47Å; L910-F989 HydrophobicContact CD1-CD1 4.11Å; L910-F989 HydrophobicContact CD1-CE1 4.45Å; L910-A992 HydrophobicContact CB-CB 4.5Å; L910-A992 HydrophobicContact CD2-CB 4.04Å; L910-L996 HydrophobicContact CD2-CD1 3.33Å; L910-C1007 HydrophobicContact CD1-CB 3.53Å; L910-C1007 WeakPolarHBondContact CD1-SG 3.35Å
911W79.4Confident72.3Confident21 Ų2112.8 Ų12.88%0.087%0.069CC..Hα-helixtrans-65.7-35.6-178-76.7117.6000112.2S857 Q861 A864 F907 G915 M1001S857-W911 PolarHBondContact O-NE1 3.28Å; S857-W911 PolarHBondContact OG-NE1 3.23Å; Q861-W911 HydrophobicContact CB-CD2 4.11Å; Q861-W911 HydrophobicContact CB-CG 4.2Å; Q861-W911 HydrophobicContact CG-CD2 4.11Å; Q861-W911 HydrophobicContact CG-CE3 4.07Å; Q861-W911 HydrophobicContact CG-CZ3 4.35Å; A864-W911 VanDerWaalsContact CB-C 3.5Å; A864-W911 HydrophobicContact CB-CB 3.85Å; A864-W911 VanDerWaalsContact CB-O 3.29Å; A864-W911 WeakPolarHBondContact CB-O 3.5Å; F907-W911 WeakPolarHBondContact O-CB 3.4Å; F907-W911 PolarHBondContact O-N 3.31Å; W911-G915 WeakPolarHBondContact O-CA 3.37Å; W911-G915 PolarHBondContact O-N 2.96Å; W911-M1001 HydrophobicContact CH2-CE 4.44Å; W911-M1001 HydrophobicContact CZ2-CE 4.35Å
912S83Confident71.1Confident0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-66.5-48178-58.90000111.4W908 L910 G915 L916W908-S912 WeakPolarHBondContact O-CB 3.32Å; W908-S912 PolarHBondContact O-N 2.93Å; W908-S912 PolarHBondContact O-OG 2.89Å; L910-S912 VanDerWaalsContact C-N 3.33Å; L910-S912 PolarHBondContact O-N 3.41Å; S912-G915 PolarHBondContact O-N 3.31Å; S912-L916 VanDerWaalsContact O-CG 3.23Å; S912-L916 WeakPolarHBondContact O-CG 3.34Å; S912-L916 PolarHBondContact O-N 2.9Å
913I73.3Confident69.9Low5 Ų518.1 Ų18.13%0.02611%0.107CC..Hα-helixtrans-63.5-46.1177.8-70.7169.1000110.8L909 L910 G915 L916 L917 F989 I1028L909-I913 HydrophobicContact CD1-CD1 3.89Å; L909-I913 HydrophobicContact CG-CD1 3.97Å; L909-I913 WeakPolarHBondContact O-CG1 3.23Å; L909-I913 PolarHBondContact O-N 3.29Å; L909-I913 VanDerWaalsContact O-N 3.08Å; L910-I913 PolarHBondContact O-N 2.99Å; I913-G915 VanDerWaalsContact C-N 3.33Å; I913-G915 PolarHBondContact O-N 3.09Å; I913-L916 PolarHBondContact O-N 3.35Å; I913-L917 HydrophobicContact CG2-CD1 3.71Å; I913-L917 HydrophobicContact CG2-CG 4.46Å; I913-L917 WeakPolarHBondContact O-CB 3.49Å; I913-L917 WeakPolarHBondContact O-CD1 3.4Å; I913-L917 WeakPolarHBondContact O-CG 3.43Å; I913-L917 PolarHBondContact O-N 3.49Å; I913-F989 HydrophobicContact CD1-CE1 3.98Å; I913-F989 HydrophobicContact CD1-CZ 3.56Å; I913-I1028 HydrophobicContact CG2-CD1 4.28Å
914R70.5Confident68.5Low60 Ų6022.6 Ų22.623%0.22613%0.129CC..Hα-helixtrans-59.3-44.9176.6-178.6-179.1171117.2-1.7111.6L910 L917 A918 T1004 D1005L910-R914 VanDerWaalsContact O-CB 3.3Å; L910-R914 WeakPolarHBondContact O-CB 3.44Å; L910-R914 PolarHBondContact O-N 3.47Å; R914-L917 PolarHBondContact O-N 3.39Å; R914-A918 WeakPolarHBondContact O-CB 3.38Å; R914-A918 PolarHBondContact O-N 2.94Å; R914-T1004 PolarHBondContact NH1-O 2.67Å; R914-D1005 VanDerWaalsContact NH1-CA 3.34Å; R914-D1005 PolarHBondContact NH1-O 3.48Å; R914-D1005 VanDerWaalsContact NH1-O 3.13Å; R914-D1005 IonicContact NH2-OD1 3.84Å
915G70.6Confident66.3Low8 Ų830.4 Ų30.48%0.08217%0.165CC..Hα-helixtrans-57.9-48.6179.100000112N868 W911 S912 I913 A918 T919N868-G915 WeakPolarHBondContact ND2-CA 3.15Å; N868-G915 PolarHBondContact ND2-O 3.34Å; N868-G915 WeakPolarHBondContact OD1-CA 3.15Å; N868-G915 PolarHBondContact OD1-O 3.12Å; W911-G915 WeakPolarHBondContact O-CA 3.37Å; W911-G915 PolarHBondContact O-N 2.96Å; S912-G915 PolarHBondContact O-N 3.31Å; I913-G915 VanDerWaalsContact C-N 3.33Å; I913-G915 PolarHBondContact O-N 3.09Å; G915-A918 PolarHBondContact O-N 3.45Å; G915-T919 PolarHBondContact O-N 3.42Å; G915-T919 VanDerWaalsContact O-N 3.15Å; G915-T919 PolarHBondContact O-OG1 2.95Å
916L75.4Confident64.2Low0 Ų032.3 Ų32.30%019%0.187CC..Hα-helixtrans-65.6-39.9179.2-66.2171.1000112.6L867 N868 S912 I913 A918 T919 F920 H940 W943 C944 L947L867-L916 HydrophobicContact CD2-CD1 3.93Å; L867-L916 HydrophobicContact CD2-CD2 3.86Å; L867-L916 HydrophobicContact CD2-CG 3.92Å; L867-L916 HydrophobicContact CG-CD2 3.92Å; N868-L916 PolarHBondContact OD1-N 3.16Å; S912-L916 VanDerWaalsContact O-CG 3.23Å; S912-L916 WeakPolarHBondContact O-CG 3.34Å; S912-L916 PolarHBondContact O-N 2.9Å; I913-L916 PolarHBondContact O-N 3.35Å; L916-A918 VanDerWaalsContact C-N 3.33Å; L916-A918 PolarHBondContact O-N 2.93Å; L916-T919 WeakPolarHBondContact CA-OG1 3.39Å; L916-T919 PolarHBondContact O-N 3.42Å; L916-T919 PolarHBondContact O-OG1 3.5Å; L916-F920 WeakPolarHBondContact O-CE2 3.49Å; L916-F920 WeakPolarHBondContact O-CZ 3.28Å; L916-H940 HydrophobicContact CD2-CB 4.04Å; L916-W943 HydrophobicContact CD1-CB 4.12Å; L916-W943 HydrophobicContact CD2-CB 4.24Å; L916-W943 HydrophobicContact CD2-CE3 3.81Å; L916-C944 HydrophobicContact CB-CB 3.96Å; L916-C944 HydrophobicContact CD1-CB 4Å; L916-L947 HydrophobicContact CD1-CD1 3.7Å
917L67.8Low62.2Low2 Ų235.5 Ų35.51%0.0121%0.214CC..Hα-helixtrans-65.4-37.3175.8-73.1164.1000112.1I913 R914 F920 Y1020 N1023 V1024 C1027 I1028I913-L917 HydrophobicContact CG2-CD1 3.71Å; I913-L917 HydrophobicContact CG2-CG 4.46Å; I913-L917 WeakPolarHBondContact O-CB 3.49Å; I913-L917 WeakPolarHBondContact O-CD1 3.4Å; I913-L917 WeakPolarHBondContact O-CG 3.43Å; I913-L917 PolarHBondContact O-N 3.49Å; R914-L917 PolarHBondContact O-N 3.39Å; L917-F920 HydrophobicContact CD2-CD2 4.14Å; L917-F920 HydrophobicContact CD2-CE2 4Å; L917-F920 WeakPolarHBondContact O-CB 3.41Å; L917-F920 PolarHBondContact O-N 2.92Å; L917-Y1020 HydrophobicContact CB-CD2 4.12Å; L917-Y1020 HydrophobicContact CB-CE2 3.6Å; L917-N1023 HydrophobicContact CD2-CB 4.15Å; L917-V1024 HydrophobicContact CD1-CG2 3.76Å; L917-V1024 HydrophobicContact CD2-CG2 4.2Å; L917-C1027 HydrophobicContact CD2-CB 4.23Å; L917-I1028 HydrophobicContact CD1-CD1 4.45Å
918A65.5Low60.1Low44 Ų4439.8 Ų39.836%0.36425%0.249SC..Hα-helixtrans-67.1-35.8177.500000112.4R914 G915 L916 F920 N921R914-A918 WeakPolarHBondContact O-CB 3.38Å; R914-A918 PolarHBondContact O-N 2.94Å; G915-A918 PolarHBondContact O-N 3.45Å; L916-A918 VanDerWaalsContact C-N 3.33Å; L916-A918 PolarHBondContact O-N 2.93Å; A918-F920 PolarHBondContact O-N 3.35Å; A918-N921 PolarHBondContact O-N 2.98Å
919T65.6Low57.5Low17 Ų1746.3 Ų46.310%0.10428%0.284CS..Hα-helixtrans-62.1-26176.139.40000113.3N868 G915 L916 N921 V922N868-T919 HydrophobicContact CB-CG2 3.91Å; G915-T919 PolarHBondContact O-N 3.42Å; G915-T919 VanDerWaalsContact O-N 3.15Å; G915-T919 PolarHBondContact O-OG1 2.95Å; L916-T919 WeakPolarHBondContact CA-OG1 3.39Å; L916-T919 PolarHBondContact O-N 3.42Å; L916-T919 PolarHBondContact O-OG1 3.5Å; T919-N921 VanDerWaalsContact C-N 3.3Å; T919-N921 PolarHBondContact O-N 3.46Å; T919-V922 PolarHBondContact O-N 3.5Å
920F60.8Low55.1Low13 Ų1351 Ų516%0.05731%0.313CS..Hα-helixtrans-66.5-28.9176.2-58.4-36.5000113.7L916 L917 A918 V922 S923 H940 K941 C944 N1023L916-F920 WeakPolarHBondContact O-CE2 3.49Å; L916-F920 WeakPolarHBondContact O-CZ 3.28Å; L917-F920 HydrophobicContact CD2-CD2 4.14Å; L917-F920 HydrophobicContact CD2-CE2 4Å; L917-F920 WeakPolarHBondContact O-CB 3.41Å; L917-F920 PolarHBondContact O-N 2.92Å; A918-F920 PolarHBondContact O-N 3.35Å; F920-V922 VanDerWaalsContact C-N 3.25Å; F920-V922 PolarHBondContact O-N 3.11Å; F920-S923 WeakPolarHBondContact O-CB 3.4Å; F920-S923 PolarHBondContact O-N 3.33Å; F920-S923 PolarHBondContact O-OG 3.04Å; F920-H940 HydrophobicContact CE1-CB 3.74Å; F920-H940 HydrophobicContact CZ-CB 4.3Å; F920-K941 HydrophobicContact CD1-CB 4.48Å; F920-K941 VanDerWaalsContact CE1-CA 3.43Å; F920-K941 HydrophobicContact CE1-CB 3.62Å; F920-K941 HydrophobicContact CE1-CG 4.38Å; F920-K941 HydrophobicContact CZ-CB 3.81Å; F920-K941 HydrophobicContact CZ-CG 4.24Å; F920-C944 HydrophobicContact CE2-CB 4.28Å; F920-C944 HydrophobicContact CZ-CB 4.03Å; F920-N1023 WeakPolarHBondContact CB-ND2 3.28Å; F920-N1023 HydrophobicContact CD2-CB 4.09Å
921N51.9Low53.2Low35 Ų3560.3 Ų60.319%0.18736%0.356CS..THydrogen-bonded Turntrans-66.3-26.9-178.1-78.2-10.2000113.4A918 T919 S923 T1017 S1019 Y1020A918-N921 PolarHBondContact O-N 2.98Å; T919-N921 VanDerWaalsContact C-N 3.3Å; T919-N921 PolarHBondContact O-N 3.46Å; N921-S923 PolarHBondContact O-N 2.82Å; N921-T1017 PolarHBondContact ND2-OG1 3Å; N921-S1019 VanDerWaalsContact CG-OG 3.26Å; N921-S1019 WeakPolarHBondContact OD1-CB 3.45Å; N921-S1019 PolarHBondContact OD1-OG 3.41Å; N921-Y1020 PolarHBondContact OD1-N 2.72Å
922V49.4Very low51Low92 Ų9266 Ų6656%0.55839%0.388SS*.Hα-helixtrans-69.2-21.9-178-175.20000111.6T919 F920 I924T919-V922 PolarHBondContact O-N 3.5Å; F920-V922 VanDerWaalsContact C-N 3.25Å; F920-V922 PolarHBondContact O-N 3.11Å; V922-I924 PolarHBondContact O-N 3.06Å
923S42.7Very low48.6Very low59 Ų5970.9 Ų70.941%0.41341%0.414SS..Hα-helixtrans-65.2-31.318066.90000114.5F920 N921F920-S923 WeakPolarHBondContact O-CB 3.4Å; F920-S923 PolarHBondContact O-N 3.33Å; F920-S923 PolarHBondContact O-OG 3.04Å; N921-S923 PolarHBondContact O-N 2.82Å
924I40.5Very low46.9Very low101 Ų10177.4 Ų77.452%0.51845%0.449SS..Hα-helixtrans-86.8-35.4-169.6-61.2170.7000111.7V922V922-I924 PolarHBondContact O-N 3.06Å
925H34.5Very low45.6Very low163 Ų16380.2 Ų80.276%0.75547%0.469SS*.Hα-helixtrans-80.4-17.3-178.2-78.2-64000114.2
926G30.6Very low44.6Very low47 Ų4783.7 Ų83.749%0.48549%0.486SS..Hα-helixtrans-86.4-17.5173.900000114.8A928 N929G926-A928 PolarHBondContact O-N 3.24Å; G926-N929 PolarHBondContact O-N 3.03Å; G926-N929 VanDerWaalsContact O-O 3.13Å
927A30.4Very low43.8Very low70 Ų7088.3 Ų88.358%0.57950%0.504SS*.THydrogen-bonded Turntrans-69.2-7.7-169.700000115.3N929A927-N929 VanDerWaalsContact C-N 3.31Å
928A33.3Very low43.7Very low91 Ų9190.7 Ų90.775%0.75252%0.521SS*.THydrogen-bonded Turntrans-75.3-19.5173.900000113.1G926G926-A928 PolarHBondContact O-N 3.24Å
929N29.6Very low43.8Very low138 Ų13889 Ų8974%0.73851%0.505SS*.SBendtrans-135.4116.2179.3-76.3-30.8000109.9G926 A927G926-N929 PolarHBondContact O-N 3.03Å; G926-N929 VanDerWaalsContact O-O 3.13Å; A927-N929 VanDerWaalsContact C-N 3.31Å
930V27.5Very low44.1Very low104 Ų10488.3 Ų88.363%0.6350%0.5SS*.  trans93.189.3178.3-165.80000114.8N932V930-N932 HydrophobicContact CG1-CB 4.44Å; V930-N932 PolarHBondContact O-N 2.85Å
931E34.1Very low44.5Very low196 Ų19692.1 Ų92.192%0.91652%0.517SS*.THydrogen-bonded Turntrans-62.417.4174.1-72.5-176.2147.100116.1
932N34.4Very low45.4Very low141 Ų14197.1 Ų97.175%0.75454%0.537SS*.THydrogen-bonded Turntrans-126.92.7-174.4-86-22.9000117.3V930V930-N932 HydrophobicContact CG1-CB 4.44Å; V930-N932 PolarHBondContact O-N 2.85Å
933N31.5Very low46.8Very low102 Ų10292.9 Ų92.955%0.54551%0.511SS..  trans-104.615-176-77.910.1000116.1N935N933-N935 PolarHBondContact O-N 3.39Å
934N38.2Very low48.2Very low142 Ų14290 Ų9076%0.75949%0.491SS*.THydrogen-bonded Turntrans-61.5-11.6178.3-83.6-13000115.1
935N43.8Very low49.5Very low120 Ų12088.6 Ų88.664%0.64248%0.482SS*.THydrogen-bonded Turntrans-87.1-28.5-174.9-73.2-19.9000114.4N933 Y937 S938N933-N935 PolarHBondContact O-N 3.39Å; N935-Y937 VanDerWaalsContact C-N 3.28Å; N935-Y937 PolarHBondContact O-N 2.85Å; N935-Y937 VanDerWaalsContact O-N 3.13Å; N935-S938 PolarHBondContact O-N 3.39Å; N935-S938 PolarHBondContact O-OG 3.49Å; N935-S938 VanDerWaalsContact O-OG 3.08Å
936D48.9Very low51.1Low81 Ų8182.6 Ų82.643%0.43346%0.459SS..THydrogen-bonded Turntrans-69.3-15.2-164.5-77.9-1000114.9H939D936-H939 PolarHBondContact O-CE1 3.44Å; D936-H939 PolarHBondContact O-ND1 3.15Å; D936-H939 VanDerWaalsContact O-ND1 3.15Å
937Y59.5Low53.1Low97 Ų9780.5 Ų80.538%0.3844%0.436SS..THydrogen-bonded Turntrans-117.84.6-178.2-65.9-78.6000114N935 H939 H940N935-Y937 VanDerWaalsContact C-N 3.28Å; N935-Y937 PolarHBondContact O-N 2.85Å; N935-Y937 VanDerWaalsContact O-N 3.13Å; Y937-H939 PolarHBondContact O-N 3.16Å; Y937-H940 AromaticContact CD1-CE1 3.76Å; Y937-H940 AromaticContact CD1-ND1 3.51Å; Y937-H940 PolarHBondContact O-N 3.34Å
938S64.4Low54.8Low52 Ų5277.2 Ų77.236%0.36441%0.409SS..Hα-helixtrans-60.3-27.117868.90000112.4N935 K942N935-S938 PolarHBondContact O-N 3.39Å; N935-S938 PolarHBondContact O-OG 3.49Å; N935-S938 VanDerWaalsContact O-OG 3.08Å; S938-K942 WeakPolarHBondContact O-CG 3.13Å; S938-K942 PolarHBondContact O-N 3.27Å
939H67.3Low56.2Low7 Ų775.9 Ų75.93%0.03239%0.387CS..Hα-helixtrans-79.2-35.9179.963.3-95.7000113.6D872 A875 D936 Y937 K941 K942 W943D872-H939 IonicContact OD1-CE1 2.67Å; D872-H939 PolarHBondContact OD1-CE1 3.38Å; D872-H939 IonicContact OD1-CG 3.4Å; D872-H939 IonicContact OD1-ND1 3.45Å; D872-H939 PolarHBondContact OD1-ND1 2.91Å; D872-H939 IonicContact OD2-ND1 2.89Å; A875-H939 HydrophobicContact CB-CB 4.34Å; D936-H939 PolarHBondContact O-CE1 3.44Å; D936-H939 PolarHBondContact O-ND1 3.15Å; D936-H939 VanDerWaalsContact O-ND1 3.15Å; Y937-H939 PolarHBondContact O-N 3.16Å; H939-K941 PolarHBondContact O-N 3.23Å; H939-K942 CarbonylContact O-C 3.2Å; H939-K942 WeakPolarHBondContact O-CA 3.4Å; H939-K942 WeakPolarHBondContact O-CB 3.5Å; H939-K942 PolarHBondContact O-N 3.11Å; H939-W943 HydrophobicContact CB-CZ2 4.5Å; H939-W943 AromaticContact CD2-CE2 3.82Å; H939-W943 AromaticContact CD2-CE3 3.97Å; H939-W943 AromaticContact CD2-CH2 3.21Å; H939-W943 WeakPolarHBondContact CD2-CH2 3.38Å; H939-W943 AromaticContact CD2-CZ2 3.37Å; H939-W943 WeakPolarHBondContact CD2-CZ2 3.48Å; H939-W943 AromaticContact CD2-CZ3 3.54Å; H939-W943 AromaticContact NE2-CH2 3.58Å; H939-W943 AromaticContact NE2-CZ3 3.95Å; H939-W943 VanDerWaalsContact O-CG 3.27Å; H939-W943 PolarHBondContact O-N 3.46Å
940H72.5Confident57.9Low3 Ų370.5 Ų70.51%0.01436%0.36CS..Hα-helixtrans-59.7-34.3172.4-62.387.9000110.5L916 F920 Y937 W943 C944L916-H940 HydrophobicContact CD2-CB 4.04Å; F920-H940 HydrophobicContact CE1-CB 3.74Å; F920-H940 HydrophobicContact CZ-CB 4.3Å; Y937-H940 AromaticContact CD1-CE1 3.76Å; Y937-H940 AromaticContact CD1-ND1 3.51Å; Y937-H940 PolarHBondContact O-N 3.34Å; H940-W943 AromaticContact CD2-CE3 3.74Å; H940-W943 AromaticContact CD2-CZ3 3.5Å; H940-W943 AromaticContact NE2-CZ3 3.59Å; H940-W943 PolarHBondContact O-N 3.43Å; H940-C944 WeakPolarHBondContact O-CB 3.36Å; H940-C944 PolarHBondContact O-N 2.81Å
941K69.6Low59.5Low93 Ų9365.7 Ų65.740%0.40433%0.331SS..Hα-helixtrans-66.2-44.3174-166.3169.5-174.7165.90110.2F920 H939 C944 H945 E1026F920-K941 HydrophobicContact CD1-CB 4.48Å; F920-K941 VanDerWaalsContact CE1-CA 3.43Å; F920-K941 HydrophobicContact CE1-CB 3.62Å; F920-K941 HydrophobicContact CE1-CG 4.38Å; F920-K941 HydrophobicContact CZ-CB 3.81Å; F920-K941 HydrophobicContact CZ-CG 4.24Å; H939-K941 PolarHBondContact O-N 3.23Å; K941-C944 PolarHBondContact O-N 3.11Å; K941-H945 WeakPolarHBondContact O-CB 3.48Å; K941-H945 PolarHBondContact O-N 3.02Å; K941-E1026 IonicContact NZ-OE2 3.84Å; K941-E1026 PolarHBondContact NZ-OE2 3.37Å
942K71.1Confident60.7Low141 Ų14156.6 Ų56.661%0.61329%0.289SS*.Hα-helixtrans-62.5-39.2172.9-68.2171.2-175.2171.50112.9S938 H939 S946S938-K942 WeakPolarHBondContact O-CG 3.13Å; S938-K942 PolarHBondContact O-N 3.27Å; H939-K942 CarbonylContact O-C 3.2Å; H939-K942 WeakPolarHBondContact O-CA 3.4Å; H939-K942 WeakPolarHBondContact O-CB 3.5Å; H939-K942 PolarHBondContact O-N 3.11Å; K942-S946 WeakPolarHBondContact O-CA 3.46Å; K942-S946 WeakPolarHBondContact O-CB 3.09Å; K942-S946 PolarHBondContact O-N 2.97Å
943W77.7Confident61.7Low2 Ų251 Ų511%0.00826%0.258CS..Hα-helixtrans-69.3-42.2177.1-62.3-22.9000111.6L867 S870 A875 I878 T879 L882 L916 H939 H940 S946 L947L867-W943 HydrophobicContact CD1-CD2 4.25Å; L867-W943 HydrophobicContact CD1-CE3 3.65Å; L867-W943 HydrophobicContact CD1-CZ3 3.84Å; L867-W943 HydrophobicContact CG-CE3 4.19Å; L867-W943 HydrophobicContact CG-CZ3 4.39Å; L867-W943 WeakPolarHBondContact O-CZ3 3.44Å; S870-W943 WeakPolarHBondContact OG-CH2 3.34Å; S870-W943 VanDerWaalsContact OG-CZ3 3.31Å; S870-W943 WeakPolarHBondContact OG-CZ3 3.29Å; A875-W943 HydrophobicContact CB-CZ2 4.24Å; A875-W943 PolarHBondContact O-NE1 2.81Å; I878-W943 HydrophobicContact CB-CZ2 3.97Å; I878-W943 HydrophobicContact CD1-CH2 3.65Å; I878-W943 HydrophobicContact CD1-CZ2 3.68Å; I878-W943 HydrophobicContact CG1-CZ2 4.44Å; I878-W943 HydrophobicContact CG2-CD2 4.12Å; I878-W943 HydrophobicContact CG2-CE3 4.5Å; I878-W943 HydrophobicContact CG2-CH2 4.24Å; I878-W943 HydrophobicContact CG2-CZ2 3.82Å; T879-W943 PolarHBondContact OG1-NE1 3.46Å; L882-W943 HydrophobicContact CD1-CB 4.23Å; L882-W943 HydrophobicContact CD1-CG 4.33Å; L916-W943 HydrophobicContact CD1-CB 4.12Å; L916-W943 HydrophobicContact CD2-CB 4.24Å; L916-W943 HydrophobicContact CD2-CE3 3.81Å; H939-W943 HydrophobicContact CB-CZ2 4.5Å; H939-W943 AromaticContact CD2-CE2 3.82Å; H939-W943 AromaticContact CD2-CE3 3.97Å; H939-W943 AromaticContact CD2-CH2 3.21Å; H939-W943 WeakPolarHBondContact CD2-CH2 3.38Å; H939-W943 AromaticContact CD2-CZ2 3.37Å; H939-W943 WeakPolarHBondContact CD2-CZ2 3.48Å; H939-W943 AromaticContact CD2-CZ3 3.54Å; H939-W943 AromaticContact NE2-CH2 3.58Å; H939-W943 AromaticContact NE2-CZ3 3.95Å; H939-W943 VanDerWaalsContact O-CG 3.27Å; H939-W943 PolarHBondContact O-N 3.46Å; H940-W943 AromaticContact CD2-CE3 3.74Å; H940-W943 AromaticContact CD2-CZ3 3.5Å; H940-W943 AromaticContact NE2-CZ3 3.59Å; H940-W943 PolarHBondContact O-N 3.43Å; W943-S946 PolarHBondContact O-N 2.81Å; W943-L947 WeakPolarHBondContact O-CB 3.49Å; W943-L947 WeakPolarHBondContact O-CG 3.36Å; W943-L947 PolarHBondContact O-N 3.21Å
944C72.4Confident62.6Low0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-62.2-48175.4-171.20000109.7L916 F920 H940 K941 S946 L947 I948L916-C944 HydrophobicContact CB-CB 3.96Å; L916-C944 HydrophobicContact CD1-CB 4Å; F920-C944 HydrophobicContact CE2-CB 4.28Å; F920-C944 HydrophobicContact CZ-CB 4.03Å; H940-C944 WeakPolarHBondContact O-CB 3.36Å; H940-C944 PolarHBondContact O-N 2.81Å; K941-C944 PolarHBondContact O-N 3.11Å; C944-S946 PolarHBondContact O-N 3.35Å; C944-L947 PolarHBondContact O-N 3Å; C944-I948 WeakPolarHBondContact O-CB 3.5Å; C944-I948 WeakPolarHBondContact O-CD1 3.39Å; C944-I948 WeakPolarHBondContact O-CG1 3.43Å; C944-I948 PolarHBondContact O-N 2.83Å; C944-I948 VanDerWaalsContact SG-CD1 3.59Å
945H68.4Low63.2Low71 Ų7145.1 Ų45.133%0.32923%0.226SC..Hα-helixtrans-60.8-43.4175.5-162.575.6000111.6K941 I948 Q949K941-H945 WeakPolarHBondContact O-CB 3.48Å; K941-H945 PolarHBondContact O-N 3.02Å; H945-I948 PolarHBondContact O-N 2.88Å; H945-Q949 PolarHBondContact CD2-NE2 3.26Å; H945-Q949 VanDerWaalsContact CD2-NE2 3.26Å; H945-Q949 PolarHBondContact CD2-OE1 3.26Å; H945-Q949 VanDerWaalsContact NE2-CD 3.34Å; H945-Q949 PolarHBondContact NE2-NE2 3Å; H945-Q949 WeakPolarHBondContact O-CA 3.48Å; H945-Q949 WeakPolarHBondContact O-CB 3.12Å; H945-Q949 WeakPolarHBondContact O-CG 3.25Å; H945-Q949 PolarHBondContact O-N 3.22Å
946S68.4Low63.2Low37 Ų3744 Ų4426%0.25922%0.22SC..Hα-helixtrans-67.4-37178.4-177.90000112.5K942 W943 C944 S950K942-S946 WeakPolarHBondContact O-CA 3.46Å; K942-S946 WeakPolarHBondContact O-CB 3.09Å; K942-S946 PolarHBondContact O-N 2.97Å; W943-S946 PolarHBondContact O-N 2.81Å; C944-S946 PolarHBondContact O-N 3.35Å; S946-S950 VanDerWaalsContact O-CB 3.24Å; S946-S950 WeakPolarHBondContact O-CB 3.31Å; S946-S950 PolarHBondContact O-N 2.97Å; S946-S950 PolarHBondContact O-OG 3.07Å
947L71.3Confident63.1Low2 Ų244.1 Ų44.11%0.0122%0.224CC..Hα-helixtrans-68.4-46174.1-80.7170.6000110.8L882 W908 L916 W943 C944 Q949 S950 V951L882-L947 HydrophobicContact CB-CD2 4.4Å; L882-L947 HydrophobicContact CD1-CD1 4.27Å; L882-L947 HydrophobicContact CD1-CG 4.3Å; L882-L947 HydrophobicContact CD2-CD1 4.38Å; L882-L947 HydrophobicContact CD2-CD2 4.26Å; W908-L947 HydrophobicContact CH2-CD2 3.91Å; W908-L947 HydrophobicContact CZ3-CD2 4.47Å; L916-L947 HydrophobicContact CD1-CD1 3.7Å; W943-L947 WeakPolarHBondContact O-CB 3.49Å; W943-L947 WeakPolarHBondContact O-CG 3.36Å; W943-L947 PolarHBondContact O-N 3.21Å; C944-L947 PolarHBondContact O-N 3Å; L947-Q949 VanDerWaalsContact C-N 3.32Å; L947-Q949 PolarHBondContact O-N 3.39Å; L947-S950 WeakPolarHBondContact CA-OG 3.32Å; L947-S950 PolarHBondContact O-N 2.9Å; L947-S950 PolarHBondContact O-OG 3.23Å; L947-S950 VanDerWaalsContact O-OG 3.1Å; L947-V951 VanDerWaalsContact O-CB 3.27Å; L947-V951 WeakPolarHBondContact O-CB 3.12Å; L947-V951 WeakPolarHBondContact O-CG2 3.12Å; L947-V951 PolarHBondContact O-N 3.29Å
948I66Low62.4Low1 Ų145.7 Ų45.71%0.00524%0.238CC..Hα-helixtrans-63.7-41.4176-67.3165.2000110C944 H945 V951 F952 C1027 I1028C944-I948 WeakPolarHBondContact O-CB 3.5Å; C944-I948 WeakPolarHBondContact O-CD1 3.39Å; C944-I948 WeakPolarHBondContact O-CG1 3.43Å; C944-I948 PolarHBondContact O-N 2.83Å; C944-I948 VanDerWaalsContact SG-CD1 3.59Å; H945-I948 PolarHBondContact O-N 2.88Å; I948-V951 PolarHBondContact O-N 3.37Å; I948-F952 HydrophobicContact CG2-CD2 4.02Å; I948-F952 WeakPolarHBondContact O-CB 3.5Å; I948-F952 WeakPolarHBondContact O-CD2 3.43Å; I948-F952 PolarHBondContact O-N 3.46Å; I948-C1027 HydrophobicContact CD1-CB 4.02Å; I948-C1027 WeakPolarHBondContact CD1-O 3.46Å; I948-I1028 HydrophobicContact CD1-CD1 4.46Å; I948-I1028 HydrophobicContact CD1-CG1 3.57Å; I948-I1028 HydrophobicContact CG1-CG1 4.41Å
949Q64.4Low61.3Low64 Ų6451 Ų5130%0.29925%0.251SS..Hα-helixtrans-67-43.8177.1-80.3-177.5-28.600112.6H945 L947 V951 L953 D954H945-Q949 PolarHBondContact CD2-NE2 3.26Å; H945-Q949 VanDerWaalsContact CD2-NE2 3.26Å; H945-Q949 PolarHBondContact CD2-OE1 3.26Å; H945-Q949 VanDerWaalsContact NE2-CD 3.34Å; H945-Q949 PolarHBondContact NE2-NE2 3Å; H945-Q949 WeakPolarHBondContact O-CA 3.48Å; H945-Q949 WeakPolarHBondContact O-CB 3.12Å; H945-Q949 WeakPolarHBondContact O-CG 3.25Å; H945-Q949 PolarHBondContact O-N 3.22Å; L947-Q949 VanDerWaalsContact C-N 3.32Å; L947-Q949 PolarHBondContact O-N 3.39Å; Q949-V951 VanDerWaalsContact C-N 3.29Å; Q949-V951 PolarHBondContact O-N 2.92Å; Q949-L953 HydrophobicContact CB-CB 4.28Å; Q949-L953 HydrophobicContact CG-CB 4.28Å; Q949-L953 HydrophobicContact CG-CD1 4.02Å; Q949-L953 CarbonylContact O-C 3.56Å; Q949-L953 WeakPolarHBondContact O-CA 3.22Å; Q949-L953 PolarHBondContact O-N 3.25Å; Q949-D954 PolarHBondContact O-N 3.45Å; Q949-D954 VanDerWaalsContact O-N 3.09Å
950S64Low60.2Low24 Ų2455.7 Ų55.717%0.16827%0.272CS..Hα-helixtrans-71.6-26.5178.653.80000112.7L886 S946 L947L886-S950 VanDerWaalsContact CD2-CB 3.42Å; L886-S950 VanDerWaalsContact CD2-OG 3.28Å; L886-S950 WeakPolarHBondContact CD2-OG 3.5Å; S946-S950 VanDerWaalsContact O-CB 3.24Å; S946-S950 WeakPolarHBondContact O-CB 3.31Å; S946-S950 PolarHBondContact O-N 2.97Å; S946-S950 PolarHBondContact O-OG 3.07Å; L947-S950 WeakPolarHBondContact CA-OG 3.32Å; L947-S950 PolarHBondContact O-N 2.9Å; L947-S950 PolarHBondContact O-OG 3.23Å; L947-S950 VanDerWaalsContact O-OG 3.1Å
951V62.3Low58.8Low3 Ų363 Ų632%0.01831%0.312CS..Hα-helixtrans-78.1-44.6174.7172.10000111.8L886 L909 L947 I948 Q949 I982 S985L886-V951 HydrophobicContact CD1-CG2 4.11Å; L909-V951 HydrophobicContact CD1-CG2 3.83Å; L909-V951 HydrophobicContact CD2-CG2 4.48Å; L947-V951 VanDerWaalsContact O-CB 3.27Å; L947-V951 WeakPolarHBondContact O-CB 3.12Å; L947-V951 WeakPolarHBondContact O-CG2 3.12Å; L947-V951 PolarHBondContact O-N 3.29Å; I948-V951 PolarHBondContact O-N 3.37Å; Q949-V951 VanDerWaalsContact C-N 3.29Å; Q949-V951 PolarHBondContact O-N 2.92Å; V951-I982 WeakPolarHBondContact O-CG1 3.49Å; V951-S985 VanDerWaalsContact CG1-CB 3.48Å; V951-S985 WeakPolarHBondContact CG1-OG 3.18Å
952F58.6Low57.4Low5 Ų564.5 Ų64.52%0.02232%0.324CS..Hα-helixtrans-110.5-24.8-172.3-65.9-74.3000115.3I948 I982 I986 F989 I1032 L1035 F1066I948-F952 HydrophobicContact CG2-CD2 4.02Å; I948-F952 WeakPolarHBondContact O-CB 3.5Å; I948-F952 WeakPolarHBondContact O-CD2 3.43Å; I948-F952 PolarHBondContact O-N 3.46Å; F952-I982 HydrophobicContact CD1-CG2 4.48Å; F952-I982 WeakPolarHBondContact O-CD1 3.41Å; F952-I986 HydrophobicContact CE1-CG1 4.24Å; F952-F989 HydrophobicContact CE2-CE2 4.24Å; F952-F989 HydrophobicContact CZ-CD2 4.45Å; F952-F989 AromaticContact CZ-CE2 3.94Å; F952-F989 HydrophobicContact CZ-CE2 3.94Å; F952-I1032 HydrophobicContact CD2-CD1 4.37Å; F952-I1032 HydrophobicContact CE1-CD1 4.5Å; F952-I1032 HydrophobicContact CE2-CD1 4.24Å; F952-I1032 HydrophobicContact CZ-CD1 4.3Å; F952-L1035 WeakPolarHBondContact O-CD2 3.45Å; F952-F1066 HydrophobicContact CE1-CD1 4.35Å; F952-F1066 HydrophobicContact CE1-CE1 4.14Å; F952-F1066 HydrophobicContact CZ-CD1 4.48Å; F952-F1066 AromaticContact CZ-CE1 3.82Å; F952-F1066 HydrophobicContact CZ-CE1 3.82Å; F952-F1066 HydrophobicContact CZ-CZ 4.12Å
953L55.9Low56.2Low23 Ų2361.9 Ų61.912%0.1234%0.338CS..  trans-139.334.4-156.3-50.7162.5000116.5Q949 F955 P1031 L1035Q949-L953 HydrophobicContact CB-CB 4.28Å; Q949-L953 HydrophobicContact CG-CB 4.28Å; Q949-L953 HydrophobicContact CG-CD1 4.02Å; Q949-L953 CarbonylContact O-C 3.56Å; Q949-L953 WeakPolarHBondContact O-CA 3.22Å; Q949-L953 PolarHBondContact O-N 3.25Å; L953-F955 CarbonylContact O-C 3.59Å; L953-F955 PolarHBondContact O-N 3.13Å; L953-P1031 HydrophobicContact CD1-CB 3.35Å; L953-L1035 HydrophobicContact CD2-CB 3.54Å; L953-L1035 HydrophobicContact CD2-CD1 4.08Å; L953-L1035 HydrophobicContact CD2-CD2 3.73Å; L953-L1035 HydrophobicContact CD2-CG 3.96Å
954D49.3Very low54.7Low101 Ų10167.5 Ų67.554%0.5437%0.367SS..  trans-57.9-1.4165.6-100.9-6.4000112.9Q949 N956 R981Q949-D954 PolarHBondContact O-N 3.45Å; Q949-D954 VanDerWaalsContact O-N 3.09Å; D954-N956 PolarHBondContact O-N 3.23Å; D954-R981 IonicContact OD2-NH1 3.24Å
955F50.8Low53.7Low21 Ų2173.8 Ų73.89%0.09240%0.401CS..SBendtrans-77.975164.1-49.2-78.5000111.6L953 T957 F971 S974 L975 S978 I982 L1035 F1059L953-F955 CarbonylContact O-C 3.59Å; L953-F955 PolarHBondContact O-N 3.13Å; F955-T957 PolarHBondContact O-N 2.98Å; F955-F971 HydrophobicContact CB-CD2 4.45Å; F955-F971 HydrophobicContact CB-CE2 4.43Å; F955-F971 AromaticContact CD1-CD2 3.22Å; F955-F971 HydrophobicContact CD1-CD2 3.22Å; F955-F971 AromaticContact CD1-CE2 3.26Å; F955-F971 HydrophobicContact CD1-CE2 3.26Å; F955-F971 HydrophobicContact CD1-CG 4.2Å; F955-F971 HydrophobicContact CD1-CZ 4.26Å; F955-F971 HydrophobicContact CD2-CE2 4.38Å; F955-F971 AromaticContact CE1-CD2 3.55Å; F955-F971 HydrophobicContact CE1-CD2 3.55Å; F955-F971 AromaticContact CE1-CE2 3.34Å; F955-F971 HydrophobicContact CE1-CE2 3.34Å; F955-F971 HydrophobicContact CE1-CG 4.25Å; F955-F971 AromaticContact CE1-CZ 3.89Å; F955-F971 HydrophobicContact CE1-CZ 3.89Å; F955-F971 HydrophobicContact CE2-CE2 4.48Å; F955-F971 HydrophobicContact CG-CD2 4.03Å; F955-F971 AromaticContact CG-CE2 3.79Å; F955-F971 HydrophobicContact CG-CE2 3.79Å; F955-F971 AromaticContact CZ-CE2 3.97Å; F955-F971 HydrophobicContact CZ-CE2 3.97Å; F955-F971 HydrophobicContact CZ-CZ 4.27Å; F955-S974 WeakPolarHBondContact CD1-OG 3.46Å; F955-S974 WeakPolarHBondContact CE1-OG 3.29Å; F955-L975 HydrophobicContact CE1-CB 4.11Å; F955-L975 HydrophobicContact CZ-CB 4.17Å; F955-L975 HydrophobicContact CZ-CD1 3.91Å; F955-S978 WeakPolarHBondContact CZ-OG 3.25Å; F955-I982 HydrophobicContact CE2-CD1 4.15Å; F955-L1035 HydrophobicContact CD2-CD1 4.12Å; F955-F1059 HydrophobicContact CE2-CE1 4.34Å; F955-F1059 AromaticContact CE2-CZ 3.87Å; F955-F1059 HydrophobicContact CE2-CZ 3.87Å; F955-F1059 HydrophobicContact CZ-CE1 4.43Å; F955-F1059 HydrophobicContact CZ-CZ 4.18Å
956N43.8Very low52.9Low95 Ų9576.3 Ų76.351%0.50842%0.417SS..  trans-57113.1175-121.4-20.6000110.5D954 I958D954-N956 PolarHBondContact O-N 3.23Å; N956-I958 PolarHBondContact O-N 3.03Å; N956-I958 VanDerWaalsContact O-N 3.13Å
957T47.3Very low52.2Low84 Ų8477.1 Ų77.152%0.51542%0.415SS..G310 helixtrans-68.2-5179.948.50000113.5F955 Y959 H960 L1038F955-T957 PolarHBondContact O-N 2.98Å; T957-Y959 PolarHBondContact O-N 3.02Å; T957-H960 PolarHBondContact O-N 2.89Å; T957-L1038 HydrophobicContact CG2-CD1 4.4Å
958I44.5Very low51.4Low130 Ų13078 Ų7867%0.66742%0.419SS*.G310 helixtrans-67.2-21.7-175.5-59.2174.2000112.5N956 H960N956-I958 PolarHBondContact O-N 3.03Å; N956-I958 VanDerWaalsContact O-N 3.13Å; I958-H960 PolarHBondContact O-N 3.08Å
959Y41.4Very low50.9Low165 Ų16581.7 Ų81.765%0.64744%0.444SS*.G310 helixtrans-71.11.7176.7-71.9-73.8000114.5T957 N961T957-Y959 PolarHBondContact O-N 3.02Å; Y959-N961 PolarHBondContact O-N 3.02Å
960H44.6Very low50.5Low104 Ų10482.6 Ų82.648%0.48145%0.454SS..G310 helixtrans-75.6-13.2-180-106-67.9000115.9T957 I958T957-H960 PolarHBondContact O-N 2.89Å; I958-H960 PolarHBondContact O-N 3.08Å
961N44Very low50.2Low158 Ų15882 Ų8285%0.84545%0.448SS*.G310 helixtrans-84.8-11.3179.6-81.7-4.1000114.5Y959Y959-N961 PolarHBondContact O-N 3.02Å
962D38.7Very low49.8Very low123 Ų12383 Ų8366%0.65846%0.457SS*.SBendtrans-105.9105.3171.3-68.5-23.7000108.2N964D962-N964 PolarHBondContact O-N 3.44Å
963G46.8Very low49.8Very low87 Ų8790.5 Ų90.590%0.89749%0.49SS*.  trans-65.548.9-175.600000116.6
964N45.1Very low49.8Very low119 Ų11990.8 Ų90.864%0.63649%0.493SS*.  trans-111.7132.7176.7-81-28.3000111.5D962 N966D962-N964 PolarHBondContact O-N 3.44Å; N964-N966 PolarHBondContact O-N 3.4Å
965D52.1Low50.2Low132 Ų13286 Ų8671%0.70647%0.468SS*.THydrogen-bonded Turntrans-56.4-3.2177-72.2-34.6000115.7W967 I968D965-W967 PolarHBondContact O-N 3.21Å; D965-I968 PolarHBondContact O-N 2.9Å
966N51.4Low50.5Low124 Ų12488.9 Ų88.966%0.66349%0.491SS*.Hα-helixtrans-62.1-22.9179.4-117.9-1.7000113.2N964 T970N964-N966 PolarHBondContact O-N 3.4Å; N966-T970 PolarHBondContact O-N 3.19Å; N966-T970 PolarHBondContact O-OG1 3.11Å
967W54Low51.2Low55 Ų5587.2 Ų87.221%0.20849%0.486CS..Hα-helixtrans-69.5-32.5179.276.6-93.2000112.4D965 T970 F971 L1038 V1042D965-W967 PolarHBondContact O-N 3.21Å; W967-T970 CarbonylContact O-C 3.51Å; W967-T970 WeakPolarHBondContact O-CB 3.36Å; W967-T970 PolarHBondContact O-N 3.27Å; W967-F971 HydrophobicContact CE3-CB 4.17Å; W967-F971 HydrophobicContact CZ3-CB 4.34Å; W967-F971 HydrophobicContact CZ3-CG 4.42Å; W967-F971 VanDerWaalsContact O-CB 3.24Å; W967-F971 WeakPolarHBondContact O-CB 3.36Å; W967-F971 PolarHBondContact O-N 3.01Å; W967-L1038 HydrophobicContact CZ3-CD2 4.33Å; W967-V1042 HydrophobicContact CH2-CG1 4.36Å; W967-V1042 HydrophobicContact CH2-CG2 3.58Å; W967-V1042 HydrophobicContact CZ3-CG2 4.17Å
968I54.4Low51.7Low21 Ų2183.6 Ų83.611%0.10846%0.464CS..Hα-helixtrans-66.6-43.2179.4-61.2177.2000110.4D965 T970 F971 A972D965-I968 PolarHBondContact O-N 2.9Å; I968-T970 VanDerWaalsContact C-N 3.27Å; I968-T970 PolarHBondContact O-N 3.48Å; I968-F971 PolarHBondContact O-N 3.43Å; I968-A972 WeakPolarHBondContact O-CB 3.32Å; I968-A972 PolarHBondContact O-N 3.45Å
969C55.2Low52.2Low78 Ų7878.3 Ų78.353%0.52744%0.437SS..Hα-helixtrans-65.1-33.6174.9-66.60000112.3K973C969-K973 WeakPolarHBondContact O-CG 3.28Å; C969-K973 PolarHBondContact O-N 3.47Å
970T55.6Low53Low83 Ų8372.8 Ų72.851%0.50943%0.43SS..Hα-helixtrans-70.3-43.7175.6-49.70000110.5N966 W967 I968 A972 K973 S974N966-T970 PolarHBondContact O-N 3.19Å; N966-T970 PolarHBondContact O-OG1 3.11Å; W967-T970 CarbonylContact O-C 3.51Å; W967-T970 WeakPolarHBondContact O-CB 3.36Å; W967-T970 PolarHBondContact O-N 3.27Å; I968-T970 VanDerWaalsContact C-N 3.27Å; I968-T970 PolarHBondContact O-N 3.48Å; T970-A972 VanDerWaalsContact C-N 3.34Å; T970-A972 PolarHBondContact O-N 2.91Å; T970-K973 PolarHBondContact O-N 2.85Å; T970-S974 PolarHBondContact O-N 3.34Å; T970-S974 PolarHBondContact O-OG 3.26Å
971F57.6Low53.8Low11 Ų1170.2 Ų70.25%0.04842%0.416CS..Hα-helixtrans-61.3-40.4174.8-180-89.4000111.9F955 W967 I968 S974 L975 L1038 L1039 F1050 F1056F955-F971 HydrophobicContact CB-CD2 4.45Å; F955-F971 HydrophobicContact CB-CE2 4.43Å; F955-F971 AromaticContact CD1-CD2 3.22Å; F955-F971 HydrophobicContact CD1-CD2 3.22Å; F955-F971 AromaticContact CD1-CE2 3.26Å; F955-F971 HydrophobicContact CD1-CE2 3.26Å; F955-F971 HydrophobicContact CD1-CG 4.2Å; F955-F971 HydrophobicContact CD1-CZ 4.26Å; F955-F971 HydrophobicContact CD2-CE2 4.38Å; F955-F971 AromaticContact CE1-CD2 3.55Å; F955-F971 HydrophobicContact CE1-CD2 3.55Å; F955-F971 AromaticContact CE1-CE2 3.34Å; F955-F971 HydrophobicContact CE1-CE2 3.34Å; F955-F971 HydrophobicContact CE1-CG 4.25Å; F955-F971 AromaticContact CE1-CZ 3.89Å; F955-F971 HydrophobicContact CE1-CZ 3.89Å; F955-F971 HydrophobicContact CE2-CE2 4.48Å; F955-F971 HydrophobicContact CG-CD2 4.03Å; F955-F971 AromaticContact CG-CE2 3.79Å; F955-F971 HydrophobicContact CG-CE2 3.79Å; F955-F971 AromaticContact CZ-CE2 3.97Å; F955-F971 HydrophobicContact CZ-CE2 3.97Å; F955-F971 HydrophobicContact CZ-CZ 4.27Å; W967-F971 HydrophobicContact CE3-CB 4.17Å; W967-F971 HydrophobicContact CZ3-CB 4.34Å; W967-F971 HydrophobicContact CZ3-CG 4.42Å; W967-F971 VanDerWaalsContact O-CB 3.24Å; W967-F971 WeakPolarHBondContact O-CB 3.36Å; W967-F971 PolarHBondContact O-N 3.01Å; I968-F971 PolarHBondContact O-N 3.43Å; F971-S974 WeakPolarHBondContact CA-OG 3.46Å; F971-S974 PolarHBondContact O-N 3.49Å; F971-S974 PolarHBondContact O-OG 2.88Å; F971-L975 HydrophobicContact CE1-CB 4.33Å; F971-L975 HydrophobicContact CE1-CD2 4.04Å; F971-L975 WeakPolarHBondContact O-CB 3.29Å; F971-L975 PolarHBondContact O-N 3.49Å; F971-L1038 HydrophobicContact CE2-CD2 4.24Å; F971-L1039 HydrophobicContact CE1-CD2 4.3Å; F971-L1039 HydrophobicContact CE2-CD2 4.28Å; F971-L1039 HydrophobicContact CZ-CD2 3.51Å; F971-F1050 HydrophobicContact CD1-CE1 4.15Å; F971-F1050 HydrophobicContact CE1-CE1 4.21Å; F971-F1056 AromaticContact CE1-CD2 3.93Å; F971-F1056 HydrophobicContact CE1-CD2 3.93Å; F971-F1056 AromaticContact CE1-CE2 3.67Å; F971-F1056 HydrophobicContact CE1-CE2 3.67Å; F971-F1056 HydrophobicContact CZ-CE2 4.16Å
972A54.6Low54.3Low23 Ų2362.8 Ų62.819%0.1938%0.376CS..Hα-helixtrans-60.4-48.2175.900000112.8I968 T970 L975 S976 F1050I968-A972 WeakPolarHBondContact O-CB 3.32Å; I968-A972 PolarHBondContact O-N 3.45Å; T970-A972 VanDerWaalsContact C-N 3.34Å; T970-A972 PolarHBondContact O-N 2.91Å; A972-L975 PolarHBondContact O-N 3.38Å; A972-S976 PolarHBondContact O-N 3.44Å; A972-S976 VanDerWaalsContact O-N 3.07Å; A972-F1050 VanDerWaalsContact CA-CZ 3.41Å; A972-F1050 HydrophobicContact CB-CD2 3.89Å; A972-F1050 HydrophobicContact CB-CE1 4.39Å; A972-F1050 HydrophobicContact CB-CE2 3.08Å; A972-F1050 HydrophobicContact CB-CZ 3.4Å
973K58Low55.2Low164 Ų16459.1 Ų59.171%0.71336%0.357SS*.Hα-helixtrans-67.1-39.9178.1-72.9176.5179.8177.20111.7C969 T970 S976 S977C969-K973 WeakPolarHBondContact O-CG 3.28Å; C969-K973 PolarHBondContact O-N 3.47Å; T970-K973 PolarHBondContact O-N 2.85Å; K973-S976 PolarHBondContact O-OG 3.35Å; K973-S977 PolarHBondContact O-N 3.2Å
974S57.2Low55.8Low29 Ų2957 Ų5720%0.20332%0.322CS..Hα-helixtrans-70.2-38.317764.10000111.1F955 T970 F971 S977 S978F955-S974 WeakPolarHBondContact CD1-OG 3.46Å; F955-S974 WeakPolarHBondContact CE1-OG 3.29Å; T970-S974 PolarHBondContact O-N 3.34Å; T970-S974 PolarHBondContact O-OG 3.26Å; F971-S974 WeakPolarHBondContact CA-OG 3.46Å; F971-S974 PolarHBondContact O-N 3.49Å; F971-S974 PolarHBondContact O-OG 2.88Å; S974-S977 WeakPolarHBondContact CA-OG 3.29Å; S974-S977 CarbonylContact O-C 3.57Å; S974-S977 WeakPolarHBondContact O-CA 3.41Å; S974-S977 PolarHBondContact O-N 3.48Å; S974-S977 VanDerWaalsContact O-N 3.09Å; S974-S977 PolarHBondContact O-OG 3.3Å; S974-S978 VanDerWaalsContact O-CB 3.32Å; S974-S978 WeakPolarHBondContact O-CB 3.4Å; S974-S978 PolarHBondContact O-N 3.39Å; S974-S978 PolarHBondContact O-OG 3.34Å
975L56.6Low56.4Low0 Ų051.3 Ų51.30%029%0.291CS..Hα-helixtrans-63-43.3176.4-177.669.7000112.6F955 F971 A972 S977 S978 H979 F1050 L1055 F1056 F1059F955-L975 HydrophobicContact CE1-CB 4.11Å; F955-L975 HydrophobicContact CZ-CB 4.17Å; F955-L975 HydrophobicContact CZ-CD1 3.91Å; F971-L975 HydrophobicContact CE1-CB 4.33Å; F971-L975 HydrophobicContact CE1-CD2 4.04Å; F971-L975 WeakPolarHBondContact O-CB 3.29Å; F971-L975 PolarHBondContact O-N 3.49Å; A972-L975 PolarHBondContact O-N 3.38Å; L975-S977 PolarHBondContact O-N 2.92Å; L975-S978 WeakPolarHBondContact CA-OG 3.33Å; L975-S978 PolarHBondContact O-N 3.46Å; L975-H979 HydrophobicContact CD1-CB 4.44Å; L975-H979 WeakPolarHBondContact O-CB 3.35Å; L975-H979 PolarHBondContact O-N 2.93Å; L975-F1050 HydrophobicContact CD2-CE1 4.09Å; L975-F1050 HydrophobicContact CD2-CZ 4.16Å; L975-L1055 HydrophobicContact CG-CD2 4.44Å; L975-F1056 HydrophobicContact CD2-CB 3.97Å; L975-F1056 HydrophobicContact CD2-CD2 3.64Å; L975-F1056 HydrophobicContact CD2-CG 4.3Å; L975-F1059 HydrophobicContact CD1-CB 4.06Å; L975-F1059 HydrophobicContact CD1-CD1 3.33Å; L975-F1059 HydrophobicContact CD1-CD2 3.84Å; L975-F1059 HydrophobicContact CD1-CE1 3.51Å; L975-F1059 HydrophobicContact CD1-CE2 3.97Å; L975-F1059 HydrophobicContact CD1-CG 3.47Å; L975-F1059 VanDerWaalsContact CD1-CG 3.47Å; L975-F1059 HydrophobicContact CD1-CZ 3.8Å
976S57.8Low56.7Low82 Ų8245.2 Ų45.257%0.57326%0.259SS*.Hα-helixtrans-60.9-30.8174.960.40000112.1A972 K973A972-S976 PolarHBondContact O-N 3.44Å; A972-S976 VanDerWaalsContact O-N 3.07Å; K973-S976 PolarHBondContact O-OG 3.35Å
977S59.3Low57Low59 Ų5942.8 Ų42.841%0.41325%0.246SC..Hα-helixtrans-82.2-29.517572.10000114.7K973 S974 L975K973-S977 PolarHBondContact O-N 3.2Å; S974-S977 WeakPolarHBondContact CA-OG 3.29Å; S974-S977 CarbonylContact O-C 3.57Å; S974-S977 WeakPolarHBondContact O-CA 3.41Å; S974-S977 PolarHBondContact O-N 3.48Å; S974-S977 VanDerWaalsContact O-N 3.09Å; S974-S977 PolarHBondContact O-OG 3.3Å; L975-S977 PolarHBondContact O-N 2.92Å
978S57.3Low57.2Low8 Ų840.2 Ų40.26%0.05624%0.236CC..Hα-helixtrans-104-17.5-171.667.50000114.2F955 S974 L975 G980 R981 I982F955-S978 WeakPolarHBondContact CZ-OG 3.25Å; S974-S978 VanDerWaalsContact O-CB 3.32Å; S974-S978 WeakPolarHBondContact O-CB 3.4Å; S974-S978 PolarHBondContact O-N 3.39Å; S974-S978 PolarHBondContact O-OG 3.34Å; L975-S978 WeakPolarHBondContact CA-OG 3.33Å; L975-S978 PolarHBondContact O-N 3.46Å; S978-G980 VanDerWaalsContact C-N 3.31Å; S978-G980 PolarHBondContact O-N 2.89Å; S978-R981 WeakPolarHBondContact O-CB 3.44Å; S978-R981 PolarHBondContact O-N 2.89Å; S978-R981 VanDerWaalsContact O-N 3.09Å; S978-I982 PolarHBondContact O-N 3.1Å
979H55Low57.4Low19 Ų1939.9 Ų39.99%0.08823%0.234CC..Hα-helixtrans-55.7-45.6179.2178.871.3000112.1L975 I982 L983 L1055 F1059L975-H979 HydrophobicContact CD1-CB 4.44Å; L975-H979 WeakPolarHBondContact O-CB 3.35Å; L975-H979 PolarHBondContact O-N 2.93Å; H979-I982 PolarHBondContact O-N 2.67Å; H979-L983 WeakPolarHBondContact NE2-CD1 3.32Å; H979-L983 PolarHBondContact O-N 3.41Å; H979-L983 VanDerWaalsContact O-N 3.12Å; H979-L1055 HydrophobicContact CB-CD1 4.33Å; H979-L1055 HydrophobicContact CB-CD2 4.14Å; H979-L1055 HydrophobicContact CB-CG 4.18Å; H979-L1055 WeakPolarHBondContact CD2-CD1 3.18Å; H979-L1055 PolarHBondContact CE1-O 2.92Å; H979-F1059 PolarHBondContact CE1-N 2.92Å; H979-F1059 VanDerWaalsContact ND1-CB 3.29Å; H979-F1059 WeakPolarHBondContact ND1-CB 3.43Å; H979-F1059 AromaticContact ND1-CD2 3.46Å; H979-F1059 WeakPolarHBondContact ND1-CD2 3.25Å; H979-F1059 AromaticContact ND1-CG 3.79Å
980G58.3Low57.7Low49 Ų4939.5 Ų39.551%0.50522%0.224SC..Hα-helixtrans-60.6-44.1175.800000112.4S978 I982 Y984S978-G980 VanDerWaalsContact C-N 3.31Å; S978-G980 PolarHBondContact O-N 2.89Å; G980-I982 PolarHBondContact O-N 3.35Å; G980-Y984 WeakPolarHBondContact O-CB 3.45Å; G980-Y984 PolarHBondContact O-N 3.37Å; G980-Y984 VanDerWaalsContact O-N 3.15Å
981R60.1Low57.8Low50 Ų5039.1 Ų39.119%0.18922%0.216CC..Hα-helixtrans-61.4-43.8180-57.3178.4-179.9-169.6-3.4112.3W890 D954 S978 S985W890-R981 HydrophobicContact CB-CG 4.3Å; W890-R981 VanDerWaalsContact CD1-CD 3.49Å; W890-R981 HydrophobicContact CD2-CB 3.86Å; W890-R981 HydrophobicContact CD2-CG 3.63Å; W890-R981 HydrophobicContact CE3-CB 4.01Å; W890-R981 HydrophobicContact CE3-CG 3.98Å; W890-R981 HydrophobicContact CG-CB 4.45Å; W890-R981 HydrophobicContact CG-CG 3.75Å; W890-R981 HydrophobicContact CH2-CB 4.16Å; W890-R981 VanDerWaalsContact CH2-O 3.28Å; W890-R981 WeakPolarHBondContact CH2-O 3.48Å; W890-R981 HydrophobicContact CZ2-CB 3.96Å; W890-R981 HydrophobicContact CZ3-CB 4.17Å; D954-R981 IonicContact OD2-NH1 3.24Å; S978-R981 WeakPolarHBondContact O-CB 3.44Å; S978-R981 PolarHBondContact O-N 2.89Å; S978-R981 VanDerWaalsContact O-N 3.09Å; R981-S985 PolarHBondContact O-N 3.27Å
982I56.2Low57.8Low3 Ų338.6 Ų38.62%0.01521%0.214CC..Hα-helixtrans-74.7-46.6-175.6-72165.9000112V951 F952 F955 S978 H979 G980 Y984 S985 I986 F1059 I1063V951-I982 WeakPolarHBondContact O-CG1 3.49Å; F952-I982 HydrophobicContact CD1-CG2 4.48Å; F952-I982 WeakPolarHBondContact O-CD1 3.41Å; F955-I982 HydrophobicContact CE2-CD1 4.15Å; S978-I982 PolarHBondContact O-N 3.1Å; H979-I982 PolarHBondContact O-N 2.67Å; G980-I982 PolarHBondContact O-N 3.35Å; I982-Y984 PolarHBondContact O-N 3.09Å; I982-S985 PolarHBondContact O-N 3.41Å; I982-S985 VanDerWaalsContact O-N 3.11Å; I982-S985 PolarHBondContact O-OG 3.5Å; I982-I986 HydrophobicContact CG2-CD1 3.89Å; I982-I986 HydrophobicContact CG2-CG1 4.47Å; I982-I986 WeakPolarHBondContact O-CG1 3.47Å; I982-I986 PolarHBondContact O-N 3.25Å; I982-F1059 HydrophobicContact CB-CE2 3.76Å; I982-F1059 HydrophobicContact CD1-CE2 3.31Å; I982-F1059 HydrophobicContact CD1-CZ 3.44Å; I982-F1059 VanDerWaalsContact CD1-CZ 3.44Å; I982-F1059 HydrophobicContact CG1-CE2 4.06Å; I982-F1059 HydrophobicContact CG2-CD2 4.39Å; I982-F1059 HydrophobicContact CG2-CE2 3.71Å; I982-I1063 HydrophobicContact CG2-CD1 4.03Å; I982-I1063 HydrophobicContact CG2-CG1 3.97Å
983L56.8Low58.1Low46 Ų4637.8 Ų37.824%0.24121%0.206CC..Hα-helixtrans-55-45.4175.2-78.7179.7000110.7H979 S985 I986 D987 S1062H979-L983 WeakPolarHBondContact NE2-CD1 3.32Å; H979-L983 PolarHBondContact O-N 3.41Å; H979-L983 VanDerWaalsContact O-N 3.12Å; L983-S985 PolarHBondContact O-N 2.81Å; L983-I986 PolarHBondContact O-N 3.2Å; L983-D987 PolarHBondContact O-N 3.41Å; L983-S1062 VanDerWaalsContact CD2-OG 3.27Å; L983-S1062 WeakPolarHBondContact CD2-OG 3.27Å
984Y59.3Low58.1Low41 Ų4136 Ų3616%0.16120%0.2CC..Hα-helixtrans-59.5-47.1175.7-175.3-81.2000112W890 T893 H902 I905 G980 I982 I986 D987 C988W890-Y984 HydrophobicContact CH2-CD1 4.1Å; W890-Y984 AromaticContact CZ3-CD1 3.49Å; W890-Y984 HydrophobicContact CZ3-CD1 3.49Å; W890-Y984 VanDerWaalsContact CZ3-CD1 3.49Å; W890-Y984 HydrophobicContact CZ3-CE1 4.02Å; W890-Y984 HydrophobicContact CZ3-CG 4.12Å; T893-Y984 HydrophobicContact CG2-CD2 4.29Å; T893-Y984 HydrophobicContact CG2-CE1 3.83Å; T893-Y984 HydrophobicContact CG2-CE2 3.45Å; T893-Y984 VanDerWaalsContact CG2-CE2 3.45Å; T893-Y984 WeakPolarHBondContact CG2-OH 3.47Å; H902-Y984 AromaticContact CE1-CD2 3.56Å; H902-Y984 AromaticContact CE1-CE1 3.75Å; H902-Y984 AromaticContact CE1-CE2 3.06Å; H902-Y984 WeakPolarHBondContact CE1-CE2 3.37Å; H902-Y984 AromaticContact CE1-CZ 3.16Å; H902-Y984 PolarHBondContact CE1-OH 3.19Å; H902-Y984 AromaticContact ND1-CD2 3.86Å; H902-Y984 AromaticContact ND1-CE1 3.83Å; H902-Y984 AromaticContact ND1-CE2 2.9Å; H902-Y984 WeakPolarHBondContact ND1-CE2 3.17Å; H902-Y984 AromaticContact ND1-CZ 2.87Å; H902-Y984 PolarHBondContact ND1-OH 3.28Å; I905-Y984 WeakPolarHBondContact CD1-OH 3.25Å; I905-Y984 HydrophobicContact CG2-CE1 4.07Å; G980-Y984 WeakPolarHBondContact O-CB 3.45Å; G980-Y984 PolarHBondContact O-N 3.37Å; G980-Y984 VanDerWaalsContact O-N 3.15Å; I982-Y984 PolarHBondContact O-N 3.09Å; Y984-I986 PolarHBondContact O-N 3.41Å; Y984-D987 PolarHBondContact O-N 3.11Å; Y984-C988 WeakPolarHBondContact CD1-SG 3.31Å; Y984-C988 WeakPolarHBondContact CE1-SG 3.41Å; Y984-C988 WeakPolarHBondContact O-CB 3.3Å; Y984-C988 PolarHBondContact O-N 3.19Å; Y984-C988 PolarHBondContact O-SG 3.47Å
985S58.5Low58Low0 Ų035.5 Ų35.50%020%0.195CC..Hα-helixtrans-61.6-39.4178.773.90000113.5V951 R981 I982 L983 D987 C988 F989V951-S985 VanDerWaalsContact CG1-CB 3.48Å; V951-S985 WeakPolarHBondContact CG1-OG 3.18Å; R981-S985 PolarHBondContact O-N 3.27Å; I982-S985 PolarHBondContact O-N 3.41Å; I982-S985 VanDerWaalsContact O-N 3.11Å; I982-S985 PolarHBondContact O-OG 3.5Å; L983-S985 PolarHBondContact O-N 2.81Å; S985-D987 VanDerWaalsContact C-N 3.33Å; S985-C988 VanDerWaalsContact O-CB 3.32Å; S985-C988 WeakPolarHBondContact O-CB 3.32Å; S985-C988 PolarHBondContact O-N 3.3Å; S985-F989 WeakPolarHBondContact O-CD2 3.42Å; S985-F989 PolarHBondContact O-N 3.39Å
986I57.8Low57.9Low4 Ų435.5 Ų35.52%0.02120%0.195CC..Hα-helixtrans-65.2-41.5177.7-70.5169.4000110.1F952 I982 L983 Y984 C988 K990 I1063 F1066F952-I986 HydrophobicContact CE1-CG1 4.24Å; I982-I986 HydrophobicContact CG2-CD1 3.89Å; I982-I986 HydrophobicContact CG2-CG1 4.47Å; I982-I986 WeakPolarHBondContact O-CG1 3.47Å; I982-I986 PolarHBondContact O-N 3.25Å; L983-I986 PolarHBondContact O-N 3.2Å; Y984-I986 PolarHBondContact O-N 3.41Å; I986-C988 VanDerWaalsContact C-N 3.34Å; I986-K990 WeakPolarHBondContact O-CG 3.26Å; I986-K990 PolarHBondContact O-N 3.32Å; I986-I1063 HydrophobicContact CD1-CG1 4.27Å; I986-F1066 HydrophobicContact CD1-CB 4.02Å; I986-F1066 HydrophobicContact CD1-CG 4.45Å; I986-F1066 HydrophobicContact CG1-CB 4.16Å; I986-F1066 HydrophobicContact CG1-CD2 4.22Å; I986-F1066 HydrophobicContact CG1-CG 4.11Å; I986-F1066 HydrophobicContact CG2-CB 4.15Å; I986-F1066 HydrophobicContact CG2-CD2 4Å; I986-F1066 HydrophobicContact CG2-CG 4.38Å
987D57.4Low57.8Low73 Ų7335.2 Ų35.239%0.3919%0.187SC..Hα-helixtrans-69.9-33.6175.6-70.7-19.7000111.6L983 Y984 S985 K990 Q991L983-D987 PolarHBondContact O-N 3.41Å; Y984-D987 PolarHBondContact O-N 3.11Å; S985-D987 VanDerWaalsContact C-N 3.33Å; D987-K990 PolarHBondContact O-N 3.41Å; D987-K990 IonicContact OD1-NZ 2.88Å; D987-K990 PolarHBondContact OD1-NZ 2.85Å; D987-Q991 WeakPolarHBondContact O-CB 3.08Å; D987-Q991 VanDerWaalsContact O-CG 3.31Å; D987-Q991 WeakPolarHBondContact O-CG 3.26Å; D987-Q991 PolarHBondContact O-N 2.82Å
988C58.4Low57.4Low2 Ų238.3 Ų38.31%0.01420%0.199CC..Hα-helixtrans-59.8-49.6173.2-70.60000112.3C906 Y984 S985 I986 K990 Q991 A992C906-C988 HydrophobicContact CB-CB 4.06Å; C906-C988 WeakPolarHBondContact SG-CA 3.45Å; C906-C988 WeakPolarHBondContact SG-CB 3.33Å; C906-C988 PolarHBondContact SG-SG 3.19Å; Y984-C988 WeakPolarHBondContact CD1-SG 3.31Å; Y984-C988 WeakPolarHBondContact CE1-SG 3.41Å; Y984-C988 WeakPolarHBondContact O-CB 3.3Å; Y984-C988 PolarHBondContact O-N 3.19Å; Y984-C988 PolarHBondContact O-SG 3.47Å; S985-C988 VanDerWaalsContact O-CB 3.32Å; S985-C988 WeakPolarHBondContact O-CB 3.32Å; S985-C988 PolarHBondContact O-N 3.3Å; I986-C988 VanDerWaalsContact C-N 3.34Å; C988-K990 PolarHBondContact O-N 3.3Å; C988-Q991 PolarHBondContact O-N 3.44Å; C988-A992 WeakPolarHBondContact O-CB 3.42Å; C988-A992 PolarHBondContact O-N 3.36Å
989F59Low57Low13 Ų1340.5 Ų40.56%0.05721%0.21CC..Hα-helixtrans-62.1-41.8178.8-76.1-66.2000112.2L909 L910 I913 F952 S985 D993 F1066L909-F989 HydrophobicContact CD2-CD2 4.34Å; L909-F989 HydrophobicContact CD2-CE1 4.04Å; L909-F989 HydrophobicContact CD2-CE2 3.54Å; L909-F989 HydrophobicContact CD2-CZ 3.36Å; L909-F989 HydrophobicContact CG-CE1 4.12Å; L909-F989 HydrophobicContact CG-CE2 4.38Å; L909-F989 HydrophobicContact CG-CZ 3.69Å; L910-F989 HydrophobicContact CD1-CD1 4.11Å; L910-F989 HydrophobicContact CD1-CE1 4.45Å; I913-F989 HydrophobicContact CD1-CE1 3.98Å; I913-F989 HydrophobicContact CD1-CZ 3.56Å; F952-F989 HydrophobicContact CE2-CE2 4.24Å; F952-F989 HydrophobicContact CZ-CD2 4.45Å; F952-F989 AromaticContact CZ-CE2 3.94Å; F952-F989 HydrophobicContact CZ-CE2 3.94Å; S985-F989 WeakPolarHBondContact O-CD2 3.42Å; S985-F989 PolarHBondContact O-N 3.39Å; F989-D993 PolarHBondContact O-N 3.29Å; F989-F1066 HydrophobicContact CB-CE2 4.43Å; F989-F1066 HydrophobicContact CD2-CE2 4.47Å; F989-F1066 HydrophobicContact CD2-CZ 4.46Å
990K60.4Low56.5Low71 Ų7142.9 Ų42.931%0.30924%0.239SC..Hα-helixtrans-63.5-46177.1-71.8172.6-168.5157.80111.8I986 D987 C988 Q994I986-K990 WeakPolarHBondContact O-CG 3.26Å; I986-K990 PolarHBondContact O-N 3.32Å; D987-K990 PolarHBondContact O-N 3.41Å; D987-K990 IonicContact OD1-NZ 2.88Å; D987-K990 PolarHBondContact OD1-NZ 2.85Å; C988-K990 PolarHBondContact O-N 3.3Å; K990-Q994 WeakPolarHBondContact O-CB 3.31Å; K990-Q994 PolarHBondContact O-N 3.17Å; K990-Q994 VanDerWaalsContact O-N 3.11Å
991Q58.8Low56Low75 Ų7543.8 Ų43.835%0.3523%0.231SC..Hα-helixtrans-66.6-43.6180-73.7-177.425.200111.5H902 D987 C988 D993 Q994 I995H902-Q991 PolarHBondContact CD2-OE1 2.9Å; H902-Q991 VanDerWaalsContact CD2-OE1 3.25Å; H902-Q991 PolarHBondContact NE2-OE1 3.4Å; D987-Q991 WeakPolarHBondContact O-CB 3.08Å; D987-Q991 VanDerWaalsContact O-CG 3.31Å; D987-Q991 WeakPolarHBondContact O-CG 3.26Å; D987-Q991 PolarHBondContact O-N 2.82Å; C988-Q991 PolarHBondContact O-N 3.44Å; Q991-D993 PolarHBondContact O-N 3.2Å; Q991-Q994 PolarHBondContact O-N 3.37Å; Q991-I995 HydrophobicContact CB-CD1 4.5Å; Q991-I995 VanDerWaalsContact O-CB 3.31Å; Q991-I995 WeakPolarHBondContact O-CB 3.4Å; Q991-I995 WeakPolarHBondContact O-CD1 3.4Å; Q991-I995 WeakPolarHBondContact O-CG1 3.4Å; Q991-I995 PolarHBondContact O-N 2.98Å
992A57.3Low55.3Low0 Ų048.7 Ų48.70%025%0.254CS..Hα-helixtrans-58-50.3179.400000111.6C906 L910 C988 Q994 I995 L996C906-A992 HydrophobicContact CB-CB 4.02Å; L910-A992 HydrophobicContact CB-CB 4.5Å; L910-A992 HydrophobicContact CD2-CB 4.04Å; C988-A992 WeakPolarHBondContact O-CB 3.42Å; C988-A992 PolarHBondContact O-N 3.36Å; A992-Q994 PolarHBondContact O-N 2.63Å; A992-I995 PolarHBondContact O-N 3.24Å; A992-L996 WeakPolarHBondContact O-CG 3.38Å; A992-L996 PolarHBondContact O-N 2.85Å
993D60Low54.8Low5 Ų550.5 Ų50.53%0.02727%0.267CS..Hα-helixtrans-64.3-41.6180-85-0.4000111.9F989 Q991 I995 L996 L997 C1006 C1007 L1008F989-D993 PolarHBondContact O-N 3.29Å; Q991-D993 PolarHBondContact O-N 3.2Å; D993-I995 VanDerWaalsContact C-N 3.32Å; D993-I995 PolarHBondContact O-N 2.99Å; D993-L996 PolarHBondContact O-N 3.45Å; D993-L997 WeakPolarHBondContact O-CG 3.48Å; D993-L997 PolarHBondContact O-N 2.83Å; D993-L997 VanDerWaalsContact O-N 3.09Å; D993-C1006 HydrophobicContact CB-CB 4.18Å; D993-C1006 PolarHBondContact O-SG 2.87Å; D993-C1006 VanDerWaalsContact OD1-CA 3.31Å; D993-C1006 WeakPolarHBondContact OD1-CA 3.49Å; D993-C1006 WeakPolarHBondContact OD1-CB 3.31Å; D993-C1007 PolarHBondContact OD1-N 2.76Å; D993-L1008 WeakPolarHBondContact OD2-CA 3.43Å; D993-L1008 WeakPolarHBondContact OD2-CB 3.39Å; D993-L1008 WeakPolarHBondContact OD2-CD1 3.43Å; D993-L1008 WeakPolarHBondContact OD2-CG 3.42Å; D993-L1008 PolarHBondContact OD2-N 3.45Å
994Q58.5Low54Low127 Ų12749.4 Ų49.459%0.59326%0.262SS*.Hα-helixtrans-66.2-36.7177.4-169.5165.87.900111.9K990 Q991 A992 N998K990-Q994 WeakPolarHBondContact O-CB 3.31Å; K990-Q994 PolarHBondContact O-N 3.17Å; K990-Q994 VanDerWaalsContact O-N 3.11Å; Q991-Q994 PolarHBondContact O-N 3.37Å; A992-Q994 PolarHBondContact O-N 2.63Å; Q994-N998 PolarHBondContact O-N 2.89Å; Q994-N998 PolarHBondContact O-ND2 3.29Å
995I55.1Low53.1Low18 Ų1849 Ų499%0.09226%0.262CS..Hα-helixtrans-67.4-44.5175.9-71.6166.1000111.1K853 T903 F907 Q991 A992 D993 N998 L999K853-I995 HydrophobicContact CB-CG2 4.11Å; K853-I995 HydrophobicContact CD-CG2 3.71Å; K853-I995 HydrophobicContact CG-CG2 4.2Å; T903-I995 HydrophobicContact CG2-CD1 4.14Å; F907-I995 HydrophobicContact CE1-CG2 4.27Å; F907-I995 HydrophobicContact CZ-CB 4.46Å; F907-I995 HydrophobicContact CZ-CG2 3.63Å; Q991-I995 HydrophobicContact CB-CD1 4.5Å; Q991-I995 VanDerWaalsContact O-CB 3.31Å; Q991-I995 WeakPolarHBondContact O-CB 3.4Å; Q991-I995 WeakPolarHBondContact O-CD1 3.4Å; Q991-I995 WeakPolarHBondContact O-CG1 3.4Å; Q991-I995 PolarHBondContact O-N 2.98Å; A992-I995 PolarHBondContact O-N 3.24Å; D993-I995 VanDerWaalsContact C-N 3.32Å; D993-I995 PolarHBondContact O-N 2.99Å; I995-N998 PolarHBondContact O-N 3.4Å; I995-L999 HydrophobicContact CG2-CD1 3.99Å; I995-L999 HydrophobicContact CG2-CG 4.45Å; I995-L999 WeakPolarHBondContact O-CG 3.43Å; I995-L999 PolarHBondContact O-N 3.33Å; I995-L999 VanDerWaalsContact O-N 3.11Å
996L54.4Low52.6Low0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-61.5-44.4179.3-73.6172.4000111.9F907 L910 A992 D993 N998 L999 M1001F907-L996 HydrophobicContact CE1-CD2 3.9Å; F907-L996 HydrophobicContact CE1-CG 4.04Å; L910-L996 HydrophobicContact CD2-CD1 3.33Å; A992-L996 WeakPolarHBondContact O-CG 3.38Å; A992-L996 PolarHBondContact O-N 2.85Å; D993-L996 PolarHBondContact O-N 3.45Å; L996-N998 VanDerWaalsContact C-N 3.29Å; L996-N998 PolarHBondContact O-N 3.04Å; L996-L999 PolarHBondContact O-N 2.89Å; L996-M1001 HydrophobicContact CD2-SD 3.53Å; L996-M1001 VanDerWaalsContact CD2-SD 3.53Å
997L55.2Low52.1Low76 Ų7649.6 Ų49.640%0.39827%0.267SS..Hα-helixtrans-57.6-43173.9-74.5176.6000112.1D993 L999 G1000 N1009D993-L997 WeakPolarHBondContact O-CG 3.48Å; D993-L997 PolarHBondContact O-N 2.83Å; D993-L997 VanDerWaalsContact O-N 3.09Å; L997-L999 VanDerWaalsContact C-N 3.27Å; L997-L999 PolarHBondContact O-N 3.32Å; L997-G1000 PolarHBondContact O-N 3.23Å; L997-N1009 WeakPolarHBondContact CD1-ND2 3.15Å
998N51.1Low51.6Low124 Ų12446.9 Ų46.966%0.66325%0.252SS*.Hα-helixtrans-68.6-23.9-179.3-72-15.1000113.3Q994 I995 L996 G1000Q994-N998 PolarHBondContact O-N 2.89Å; Q994-N998 PolarHBondContact O-ND2 3.29Å; I995-N998 PolarHBondContact O-N 3.4Å; L996-N998 VanDerWaalsContact C-N 3.29Å; L996-N998 PolarHBondContact O-N 3.04Å; N998-G1000 VanDerWaalsContact C-N 3.25Å; N998-G1000 PolarHBondContact O-N 3.18Å
999L49.4Very low51Low55 Ų5548.2 Ų48.229%0.28826%0.259SS..THydrogen-bonded Turntrans-82.33.1178.3-70.8172.3000113.5K853 T854 I995 L996 L997 M1001K853-L999 HydrophobicContact CB-CD1 3.89Å; K853-L999 HydrophobicContact CB-CD2 4.48Å; T854-L999 HydrophobicContact CG2-CD1 4.1Å; T854-L999 HydrophobicContact CG2-CD2 4.03Å; I995-L999 HydrophobicContact CG2-CD1 3.99Å; I995-L999 HydrophobicContact CG2-CG 4.45Å; I995-L999 WeakPolarHBondContact O-CG 3.43Å; I995-L999 PolarHBondContact O-N 3.33Å; I995-L999 VanDerWaalsContact O-N 3.11Å; L996-L999 PolarHBondContact O-N 2.89Å; L997-L999 VanDerWaalsContact C-N 3.27Å; L997-L999 PolarHBondContact O-N 3.32Å; L999-M1001 PolarHBondContact O-N 2.83Å
1000G44.6Very low50.2Low69 Ų6947.7 Ų47.771%0.71126%0.257SS*.THydrogen-bonded Turntrans739.4-178.600000113.9L997 N998L997-G1000 PolarHBondContact O-N 3.23Å; N998-G1000 VanDerWaalsContact C-N 3.25Å; N998-G1000 PolarHBondContact O-N 3.18Å
1001M46.9Very low49.3Very low67 Ų6744.9 Ų44.933%0.3325%0.245SC..  trans-63.9146.2166-66.9-166.97000108.7W911 L996 L999 D1005W911-M1001 HydrophobicContact CH2-CE 4.44Å; W911-M1001 HydrophobicContact CZ2-CE 4.35Å; L996-M1001 HydrophobicContact CD2-SD 3.53Å; L996-M1001 VanDerWaalsContact CD2-SD 3.53Å; L999-M1001 PolarHBondContact O-N 2.83Å; M1001-D1005 HydrophobicContact CB-CB 4.21Å; M1001-D1005 WeakPolarHBondContact CB-OD2 3.44Å; M1001-D1005 HydrophobicContact CE-CB 4.07Å
1002K46.5Very low48.4Very low154 Ų15446.3 Ų46.367%0.6726%0.255SS*.  trans-60.9147-174.6-69.6178.9-178.6177.30108.3T1004 D1005K1002-T1004 HydrophobicContact CB-CG2 4.18Å; K1002-T1004 WeakPolarHBondContact CB-OG1 3.32Å; K1002-T1004 PolarHBondContact O-N 3.13Å; K1002-D1005 PolarHBondContact N-OD2 3.44Å; K1002-D1005 VanDerWaalsContact O-CB 3.3Å; K1002-D1005 WeakPolarHBondContact O-CB 3.36Å; K1002-D1005 PolarHBondContact O-N 2.63Å
1003S44.8Very low47.5Very low41 Ų4152.1 Ų52.129%0.28729%0.286SS..G310 helixtrans-53.3-22.4176.356.50000113.2D1005 C1006 N1009S1003-D1005 PolarHBondContact O-N 3.36Å; S1003-C1006 PolarHBondContact O-N 2.91Å; S1003-N1009 CarbonylContact O-C 3.58Å
1004T41.3Very low46.2Very low23 Ų2355.1 Ų55.114%0.14131%0.307CS..G310 helixtrans-63.9-17.7174.567.70000113.7R914 K1002 C1014R914-T1004 PolarHBondContact NH1-O 2.67Å; K1002-T1004 HydrophobicContact CB-CG2 4.18Å; K1002-T1004 WeakPolarHBondContact CB-OG1 3.32Å; K1002-T1004 PolarHBondContact O-N 3.13Å; T1004-C1014 VanDerWaalsContact CB-SG 3.56Å; T1004-C1014 HydrophobicContact CG2-CB 3.72Å; T1004-C1014 WeakPolarHBondContact CG2-SG 3.38Å
1005D40.2Very low45.1Very low32 Ų3261.2 Ų61.217%0.17132%0.324CS..G310 helixtrans-88.4-17-177.6-60.9-30.9000112.8R914 M1001 K1002 S1003R914-D1005 VanDerWaalsContact NH1-CA 3.34Å; R914-D1005 PolarHBondContact NH1-O 3.48Å; R914-D1005 VanDerWaalsContact NH1-O 3.13Å; R914-D1005 IonicContact NH2-OD1 3.84Å; M1001-D1005 HydrophobicContact CB-CB 4.21Å; M1001-D1005 WeakPolarHBondContact CB-OD2 3.44Å; M1001-D1005 HydrophobicContact CE-CB 4.07Å; K1002-D1005 PolarHBondContact N-OD2 3.44Å; K1002-D1005 VanDerWaalsContact O-CB 3.3Å; K1002-D1005 WeakPolarHBondContact O-CB 3.36Å; K1002-D1005 PolarHBondContact O-N 2.63Å; S1003-D1005 PolarHBondContact O-N 3.36Å
1006C48.1Very low44.5Very low0 Ų062 Ų620%033%0.328CS..SBendtrans-82.9136.1177.1-61.10000111.2D993 S1003 L1008 N1009 S1010D993-C1006 HydrophobicContact CB-CB 4.18Å; D993-C1006 PolarHBondContact O-SG 2.87Å; D993-C1006 VanDerWaalsContact OD1-CA 3.31Å; D993-C1006 WeakPolarHBondContact OD1-CA 3.49Å; D993-C1006 WeakPolarHBondContact OD1-CB 3.31Å; S1003-C1006 PolarHBondContact O-N 2.91Å; C1006-L1008 VanDerWaalsContact C-N 3.34Å; C1006-L1008 PolarHBondContact O-N 2.82Å; C1006-N1009 HydrophobicContact CB-CB 3.79Å; C1006-S1010 WeakPolarHBondContact O-CB 3.31Å; C1006-S1010 PolarHBondContact O-N 3.45Å; C1006-S1010 PolarHBondContact O-OG 2.97Å
1007C47.4Very low44.2Very low17 Ų1764.8 Ų64.812%0.11535%0.346CS..THydrogen-bonded Turntrans-62.3-42.3178.8-80.60000111.6L910 D993 S1010L910-C1007 HydrophobicContact CD1-CB 3.53Å; L910-C1007 WeakPolarHBondContact CD1-SG 3.35Å; D993-C1007 PolarHBondContact OD1-N 2.76Å; C1007-S1010 PolarHBondContact O-OG 3.45Å
1008L47.2Very low44.1Very low16 Ų1666.7 Ų66.78%0.08436%0.356CS..THydrogen-bonded Turntrans-86.8-21.5-175.5-46.2169.9000113.5D993 C1006 M1070 R1073D993-L1008 WeakPolarHBondContact OD2-CA 3.43Å; D993-L1008 WeakPolarHBondContact OD2-CB 3.39Å; D993-L1008 WeakPolarHBondContact OD2-CD1 3.43Å; D993-L1008 WeakPolarHBondContact OD2-CG 3.42Å; D993-L1008 PolarHBondContact OD2-N 3.45Å; C1006-L1008 VanDerWaalsContact C-N 3.34Å; C1006-L1008 PolarHBondContact O-N 2.82Å; L1008-M1070 HydrophobicContact CD2-CE 4Å; L1008-M1070 HydrophobicContact CD2-CG 3.72Å; L1008-M1070 HydrophobicContact CD2-SD 3.03Å; L1008-M1070 WeakPolarHBondContact CD2-SD 3.47Å; L1008-M1070 HydrophobicContact CG-SD 4.34Å; L1008-R1073 VanDerWaalsContact CB-NH1 3.28Å; L1008-R1073 WeakPolarHBondContact O-CD 3.47Å
1009N45.9Very low44.3Very low30 Ų3061.6 Ų61.616%0.1633%0.33CS..THydrogen-bonded Turntrans-96.7-10.8176.2-57.7-39.6000113.5L997 S1003 C1006 F1011 N1012 R1073L997-N1009 WeakPolarHBondContact CD1-ND2 3.15Å; S1003-N1009 CarbonylContact O-C 3.58Å; C1006-N1009 HydrophobicContact CB-CB 3.79Å; N1009-F1011 PolarHBondContact O-N 3.43Å; N1009-F1011 VanDerWaalsContact O-N 3.11Å; N1009-N1012 PolarHBondContact O-N 2.73Å; N1009-R1073 PolarHBondContact OD1-NH1 3.08Å; N1009-R1073 VanDerWaalsContact OD1-NH1 3.09Å
1010S42.2Very low44.8Very low2 Ų259.9 Ų59.91%0.01432%0.32CS..Hα-helixtrans-55.2-29.3177.563.70000112.6C1006 C1007 N1012 I1016C1006-S1010 WeakPolarHBondContact O-CB 3.31Å; C1006-S1010 PolarHBondContact O-N 3.45Å; C1006-S1010 PolarHBondContact O-OG 2.97Å; C1007-S1010 PolarHBondContact O-OG 3.45Å; S1010-N1012 VanDerWaalsContact C-N 3.31Å; S1010-N1012 PolarHBondContact O-N 3.34Å; S1010-I1016 WeakPolarHBondContact O-CD1 3.4Å
1011F40.6Very low45.5Very low11 Ų1157 Ų575%0.04829%0.289CS..Hα-helixtrans-61.2-29.9-178.2-67.3-64.9000115.4N1009 I1021 V1024 M1070 R1073 L1074 P1075N1009-F1011 PolarHBondContact O-N 3.43Å; N1009-F1011 VanDerWaalsContact O-N 3.11Å; F1011-I1021 HydrophobicContact CD1-CG1 4.3Å; F1011-I1021 HydrophobicContact CD1-CG2 4.42Å; F1011-I1021 HydrophobicContact CE1-CG1 4.38Å; F1011-I1021 HydrophobicContact CE1-CG2 4.18Å; F1011-V1024 HydrophobicContact CE1-CG1 4.33Å; F1011-V1024 HydrophobicContact CZ-CB 4.32Å; F1011-V1024 HydrophobicContact CZ-CG1 3.66Å; F1011-M1070 HydrophobicContact CE2-SD 4.33Å; F1011-R1073 WeakPolarHBondContact CB-O 3.33Å; F1011-L1074 HydrophobicContact CD1-CD2 3.76Å; F1011-L1074 HydrophobicContact CE1-CD2 3.67Å; F1011-L1074 HydrophobicContact CE2-CD2 4.43Å; F1011-L1074 HydrophobicContact CG-CD2 4.18Å; F1011-L1074 HydrophobicContact CZ-CD2 4.01Å; F1011-P1075 WeakPolarHBondContact O-CG 3.22Å
1012N39.8Very low46.2Very low105 Ų10558.9 Ų58.956%0.56130%0.296SS*.Hα-helixtrans-80.6-36.7-171-80.4-2.8000113.9N1009 S1010 R1073N1009-N1012 PolarHBondContact O-N 2.73Å; S1010-N1012 VanDerWaalsContact C-N 3.31Å; S1010-N1012 PolarHBondContact O-N 3.34Å; N1012-R1073 PolarHBondContact OD1-O 3.39Å
1013N37.5Very low46.9Very low123 Ų12352.6 Ų52.666%0.65827%0.27SS*.Hα-helixtrans-142.628.3-155.4-79.4-19.5000116.2
1014C33Very low47.8Very low68 Ų6851.1 Ų51.146%0.45926%0.259SS..SBendtrans-133.8149.9170.1-119.80000113T1004 I1016T1004-C1014 VanDerWaalsContact CB-SG 3.56Å; T1004-C1014 HydrophobicContact CG2-CB 3.72Å; T1004-C1014 WeakPolarHBondContact CG2-SG 3.38Å; C1014-I1016 HydrophobicContact CB-CD1 4.32Å; C1014-I1016 HydrophobicContact CB-CG1 3.71Å; C1014-I1016 PolarHBondContact O-N 3.45Å
1015R35.7Very low48.9Very low255 Ų25551.6 Ų51.696%0.96226%0.261SS*.  trans-63.552.2163.1-69.2-179.5174.1-179.3-2.4110.7T1017R1015-T1017 PolarHBondContact O-N 3.45Å
1016I42.9Very low50Low33 Ų3353.7 Ų53.717%0.16927%0.269CS..  trans-63.9122.5167.1-61.4-174.2000104.3S1010 C1014 N1018 Y1020 I1021S1010-I1016 WeakPolarHBondContact O-CD1 3.4Å; C1014-I1016 HydrophobicContact CB-CD1 4.32Å; C1014-I1016 HydrophobicContact CB-CG1 3.71Å; C1014-I1016 PolarHBondContact O-N 3.45Å; I1016-N1018 PolarHBondContact O-N 2.9Å; I1016-Y1020 HydrophobicContact CD1-CD1 4.48Å; I1016-Y1020 VanDerWaalsContact CG2-CB 3.5Å; I1016-Y1020 HydrophobicContact CG2-CD1 3.34Å; I1016-Y1020 HydrophobicContact CG2-CE1 4.3Å; I1016-Y1020 HydrophobicContact CG2-CG 3.71Å; I1016-I1021 HydrophobicContact CB-CG1 4.45Å; I1016-I1021 HydrophobicContact CG2-CD1 4.37Å; I1016-I1021 HydrophobicContact CG2-CG1 3.79Å
1017T48.2Very low50.7Low60 Ų6053.8 Ų53.837%0.36827%0.27SS..  trans-54.6138.8175.549.20000108.6N921 R1015 S1019 Y1020N921-T1017 PolarHBondContact ND2-OG1 3Å; R1015-T1017 PolarHBondContact O-N 3.45Å; T1017-S1019 WeakPolarHBondContact CB-OG 3.3Å; T1017-S1019 PolarHBondContact O-N 3.17Å; T1017-S1019 PolarHBondContact OG1-OG 3.44Å; T1017-Y1020 PolarHBondContact O-N 2.89Å
1018N53.7Low51.5Low115 Ų11554 Ų5462%0.61527%0.27SS*.Hα-helixtrans-46.8-30.1176.6-72.5-6.1000112.3I1016 Y1020 Q1022 Y1078I1016-N1018 PolarHBondContact O-N 2.9Å; N1018-Y1020 PolarHBondContact O-N 2.89Å; N1018-Q1022 WeakPolarHBondContact O-CB 3.41Å; N1018-Q1022 PolarHBondContact O-N 3.45Å; N1018-Q1022 VanDerWaalsContact O-N 3.09Å; N1018-Y1078 WeakPolarHBondContact CA-OH 3.45Å; N1018-Y1078 VanDerWaalsContact CG-OH 3.29Å; N1018-Y1078 PolarHBondContact OD1-OH 2.98Å
1019S55.5Low52.5Low18 Ų1854.1 Ų54.113%0.12627%0.27CS..Hα-helixtrans-58.9-40.617464.90000115N921 T1017 N1023N921-S1019 VanDerWaalsContact CG-OG 3.26Å; N921-S1019 WeakPolarHBondContact OD1-CB 3.45Å; N921-S1019 PolarHBondContact OD1-OG 3.41Å; T1017-S1019 WeakPolarHBondContact CB-OG 3.3Å; T1017-S1019 PolarHBondContact O-N 3.17Å; T1017-S1019 PolarHBondContact OG1-OG 3.44Å; S1019-N1023 WeakPolarHBondContact O-CB 3.47Å; S1019-N1023 PolarHBondContact O-N 3.4Å; S1019-N1023 PolarHBondContact O-ND2 3.28Å
1020Y58.8Low53.5Low18 Ų1857 Ų577%0.07128%0.283CS..Hα-helixtrans-70.9-41.6-179.2175.4-84.7000111.4L917 N921 I1016 T1017 N1018 Q1022 N1023 V1024L917-Y1020 HydrophobicContact CB-CD2 4.12Å; L917-Y1020 HydrophobicContact CB-CE2 3.6Å; N921-Y1020 PolarHBondContact OD1-N 2.72Å; I1016-Y1020 HydrophobicContact CD1-CD1 4.48Å; I1016-Y1020 VanDerWaalsContact CG2-CB 3.5Å; I1016-Y1020 HydrophobicContact CG2-CD1 3.34Å; I1016-Y1020 HydrophobicContact CG2-CE1 4.3Å; I1016-Y1020 HydrophobicContact CG2-CG 3.71Å; T1017-Y1020 PolarHBondContact O-N 2.89Å; N1018-Y1020 PolarHBondContact O-N 2.89Å; Y1020-Q1022 VanDerWaalsContact C-N 3.31Å; Y1020-Q1022 PolarHBondContact O-N 3.1Å; Y1020-N1023 PolarHBondContact O-N 3.11Å; Y1020-V1024 HydrophobicContact CD1-CG2 4.01Å; Y1020-V1024 HydrophobicContact CE1-CG2 3.69Å; Y1020-V1024 WeakPolarHBondContact O-CG2 3.3Å; Y1020-V1024 PolarHBondContact O-N 3.03Å
1021I60.1Low54.5Low10 Ų1057.6 Ų57.65%0.05129%0.286CS..Hα-helixtrans-62.1-44.3176.7-61.9177.6000109.6F1011 I1016 N1023 V1024 L1025 Y1078F1011-I1021 HydrophobicContact CD1-CG1 4.3Å; F1011-I1021 HydrophobicContact CD1-CG2 4.42Å; F1011-I1021 HydrophobicContact CE1-CG1 4.38Å; F1011-I1021 HydrophobicContact CE1-CG2 4.18Å; I1016-I1021 HydrophobicContact CB-CG1 4.45Å; I1016-I1021 HydrophobicContact CG2-CD1 4.37Å; I1016-I1021 HydrophobicContact CG2-CG1 3.79Å; I1021-N1023 PolarHBondContact O-N 2.91Å; I1021-V1024 PolarHBondContact O-N 3.4Å; I1021-L1025 HydrophobicContact CG2-CD1 4.19Å; I1021-L1025 WeakPolarHBondContact O-CG 3.23Å; I1021-L1025 PolarHBondContact O-N 2.84Å; I1021-Y1078 HydrophobicContact CB-CD1 4.41Å; I1021-Y1078 HydrophobicContact CB-CE1 3.87Å; I1021-Y1078 HydrophobicContact CB-CE2 4.4Å; I1021-Y1078 HydrophobicContact CD1-CD2 4.26Å; I1021-Y1078 HydrophobicContact CD1-CE2 3.55Å; I1021-Y1078 HydrophobicContact CG2-CD1 3.51Å; I1021-Y1078 HydrophobicContact CG2-CD2 3.99Å; I1021-Y1078 HydrophobicContact CG2-CE1 3.47Å; I1021-Y1078 VanDerWaalsContact CG2-CE1 3.47Å; I1021-Y1078 HydrophobicContact CG2-CE2 3.99Å; I1021-Y1078 HydrophobicContact CG2-CG 3.77Å
1022Q60.6Low55.8Low106 Ų10657.2 Ų57.250%0.49529%0.285SS..Hα-helixtrans-60-43.9174.9-170.4173.4-2.300112.4N1018 Y1020 V1024 L1025 E1026N1018-Q1022 WeakPolarHBondContact O-CB 3.41Å; N1018-Q1022 PolarHBondContact O-N 3.45Å; N1018-Q1022 VanDerWaalsContact O-N 3.09Å; Y1020-Q1022 VanDerWaalsContact C-N 3.31Å; Y1020-Q1022 PolarHBondContact O-N 3.1Å; Q1022-V1024 VanDerWaalsContact C-N 3.33Å; Q1022-V1024 PolarHBondContact O-N 2.97Å; Q1022-L1025 WeakPolarHBondContact O-CB 3.42Å; Q1022-L1025 PolarHBondContact O-N 3.16Å; Q1022-L1025 VanDerWaalsContact O-N 3.16Å; Q1022-E1026 PolarHBondContact O-N 3.04Å
1023N61.2Low57.3Low22 Ų2254 Ų5412%0.11827%0.265CS..Hα-helixtrans-63.1-36.9176.5-72.6-34.9000112.8L917 F920 S1019 Y1020 I1021 C1027L917-N1023 HydrophobicContact CD2-CB 4.15Å; F920-N1023 WeakPolarHBondContact CB-ND2 3.28Å; F920-N1023 HydrophobicContact CD2-CB 4.09Å; S1019-N1023 WeakPolarHBondContact O-CB 3.47Å; S1019-N1023 PolarHBondContact O-N 3.4Å; S1019-N1023 PolarHBondContact O-ND2 3.28Å; Y1020-N1023 PolarHBondContact O-N 3.11Å; I1021-N1023 PolarHBondContact O-N 2.91Å; N1023-C1027 VanDerWaalsContact O-CB 3.29Å; N1023-C1027 WeakPolarHBondContact O-CB 3.4Å; N1023-C1027 PolarHBondContact O-N 3.45Å; N1023-C1027 PolarHBondContact O-SG 3.12Å
1024V64.4Low58.7Low9 Ų951.7 Ų51.76%0.05525%0.253CS..Hα-helixtrans-65.5-42.9173.3174.20000110.8L917 F1011 Y1020 I1021 Q1022 I1028L917-V1024 HydrophobicContact CD1-CG2 3.76Å; L917-V1024 HydrophobicContact CD2-CG2 4.2Å; F1011-V1024 HydrophobicContact CE1-CG1 4.33Å; F1011-V1024 HydrophobicContact CZ-CB 4.32Å; F1011-V1024 HydrophobicContact CZ-CG1 3.66Å; Y1020-V1024 HydrophobicContact CD1-CG2 4.01Å; Y1020-V1024 HydrophobicContact CE1-CG2 3.69Å; Y1020-V1024 WeakPolarHBondContact O-CG2 3.3Å; Y1020-V1024 PolarHBondContact O-N 3.03Å; I1021-V1024 PolarHBondContact O-N 3.4Å; Q1022-V1024 VanDerWaalsContact C-N 3.33Å; Q1022-V1024 PolarHBondContact O-N 2.97Å; V1024-I1028 HydrophobicContact CG1-CB 4.44Å; V1024-I1028 HydrophobicContact CG1-CD1 4.08Å; V1024-I1028 WeakPolarHBondContact O-CB 3.26Å; V1024-I1028 PolarHBondContact O-N 3.18Å
1025L64.4Low60.4Low33 Ų3348.8 Ų48.817%0.17323%0.233CC..Iπ-helixtrans-62.1-43176.9-69.1170000111.8I1021 Q1022 H1029 E1030 L1074 Y1078 L1083I1021-L1025 HydrophobicContact CG2-CD1 4.19Å; I1021-L1025 WeakPolarHBondContact O-CG 3.23Å; I1021-L1025 PolarHBondContact O-N 2.84Å; Q1022-L1025 WeakPolarHBondContact O-CB 3.42Å; Q1022-L1025 PolarHBondContact O-N 3.16Å; Q1022-L1025 VanDerWaalsContact O-N 3.16Å; L1025-H1029 HydrophobicContact CD2-CB 4.24Å; L1025-H1029 VanDerWaalsContact O-CB 3.26Å; L1025-H1029 WeakPolarHBondContact O-CB 3.44Å; L1025-H1029 PolarHBondContact O-N 2.85Å; L1025-E1030 PolarHBondContact O-N 3.41Å; L1025-L1074 HydrophobicContact CD2-CD1 3.86Å; L1025-L1074 HydrophobicContact CD2-CD2 4.27Å; L1025-Y1078 HydrophobicContact CD1-CD1 3.98Å; L1025-L1083 HydrophobicContact CD2-CD1 4.11Å; L1025-L1083 HydrophobicContact CD2-CD2 4.44Å
1026E63.4Low62.1Low76 Ų7636.7 Ų36.736%0.35519%0.187SC..Iπ-helixtrans-67.4-48.5176.1-73.5-175.2-166.700112.6K941 Q1022K941-E1026 IonicContact NZ-OE2 3.84Å; K941-E1026 PolarHBondContact NZ-OE2 3.37Å; Q1022-E1026 PolarHBondContact O-N 3.04Å
1027C61.7Low63.4Low3 Ų337.8 Ų37.82%0.0219%0.193CC..Iπ-helixtrans-80.8-32.4-170.4-64.10000113.4L917 I948 N1023 P1031L917-C1027 HydrophobicContact CD2-CB 4.23Å; I948-C1027 HydrophobicContact CD1-CB 4.02Å; I948-C1027 WeakPolarHBondContact CD1-O 3.46Å; N1023-C1027 VanDerWaalsContact O-CB 3.29Å; N1023-C1027 WeakPolarHBondContact O-CB 3.4Å; N1023-C1027 PolarHBondContact O-N 3.45Å; N1023-C1027 PolarHBondContact O-SG 3.12Å; C1027-P1031 WeakPolarHBondContact O-CG 3.37Å
1028I65.3Low64.2Low22 Ų2236.2 Ų36.211%0.11318%0.183CC..Iπ-helixtrans-108-48.5-174.4-62177.8000111.9I913 L917 I948 V1024 I1032 M1070I913-I1028 HydrophobicContact CG2-CD1 4.28Å; L917-I1028 HydrophobicContact CD1-CD1 4.45Å; I948-I1028 HydrophobicContact CD1-CD1 4.46Å; I948-I1028 HydrophobicContact CD1-CG1 3.57Å; I948-I1028 HydrophobicContact CG1-CG1 4.41Å; V1024-I1028 HydrophobicContact CG1-CB 4.44Å; V1024-I1028 HydrophobicContact CG1-CD1 4.08Å; V1024-I1028 WeakPolarHBondContact O-CB 3.26Å; V1024-I1028 PolarHBondContact O-N 3.18Å; I1028-I1032 HydrophobicContact CG2-CD1 3.67Å; I1028-I1032 WeakPolarHBondContact O-CB 3.42Å; I1028-I1032 WeakPolarHBondContact O-CD1 3.4Å; I1028-I1032 VanDerWaalsContact O-CG1 3.25Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.2Å; I1028-I1032 PolarHBondContact O-N 2.92Å; I1028-M1070 HydrophobicContact CG2-CE 3.99Å
1029H67.4Low64.9Low18 Ų1830.8 Ų30.88%0.08315%0.153CC..Iπ-helixtrans-69.7-47.6-172.7162.1-75.1000112.2L1025 I1032 Y1033 Y1067 L1083L1025-H1029 HydrophobicContact CD2-CB 4.24Å; L1025-H1029 VanDerWaalsContact O-CB 3.26Å; L1025-H1029 WeakPolarHBondContact O-CB 3.44Å; L1025-H1029 PolarHBondContact O-N 2.85Å; H1029-I1032 PolarHBondContact O-N 3.26Å; H1029-Y1033 VanDerWaalsContact O-CB 3.23Å; H1029-Y1033 WeakPolarHBondContact O-CB 3.25Å; H1029-Y1033 PolarHBondContact O-N 3.2Å; H1029-Y1067 AromaticContact CD2-CE2 3.46Å; H1029-Y1067 VanDerWaalsContact CD2-CE2 3.46Å; H1029-Y1067 WeakPolarHBondContact CD2-CE2 3.34Å; H1029-Y1067 AromaticContact CD2-CZ 3.77Å; H1029-Y1067 PolarHBondContact CD2-OH 3.25Å; H1029-Y1067 AromaticContact NE2-CE2 3.86Å; H1029-Y1067 AromaticContact NE2-CZ 3.7Å; H1029-Y1067 PolarHBondContact NE2-OH 3.04Å; H1029-L1083 VanDerWaalsContact CD2-CD1 3.48Å; H1029-L1083 WeakPolarHBondContact CD2-CD1 3.23Å; H1029-L1083 WeakPolarHBondContact CE1-CD1 3.21Å; H1029-L1083 WeakPolarHBondContact NE2-CD1 3.39Å
1030E66.4Low65.5Low91 Ų9130.4 Ų30.443%0.42515%0.15SC..Hα-helixtrans-62.7-45.9-176.5-178.2170.2-143.200113.9L1025 Y1033 N1034L1025-E1030 PolarHBondContact O-N 3.41Å; E1030-Y1033 PolarHBondContact O-N 3.36Å; E1030-N1034 VanDerWaalsContact O-CG 3.28Å; E1030-N1034 PolarHBondContact O-N 2.94Å; E1030-N1034 PolarHBondContact O-ND2 3.42Å
1031P63.9Low65.7Low13 Ų1332.6 Ų32.68%0.08416%0.163CC..Hα-helixtrans-67.6-39.4178.9-22.836.4000113.4L953 C1027 N1034 L1035L953-P1031 HydrophobicContact CD1-CB 3.35Å; C1027-P1031 WeakPolarHBondContact O-CG 3.37Å; P1031-N1034 PolarHBondContact O-N 3.01Å; P1031-L1035 PolarHBondContact O-N 3.22Å; P1031-L1035 VanDerWaalsContact O-N 3.08Å
1032I68.3Low65.7Low3 Ų332.5 Ų32.52%0.01516%0.163CC..Hα-helixtrans-67.8-41177.3-65.6177.1000110.6F952 I1028 H1029 L1035 I1036 I1063 F1066 Y1067F952-I1032 HydrophobicContact CD2-CD1 4.37Å; F952-I1032 HydrophobicContact CE1-CD1 4.5Å; F952-I1032 HydrophobicContact CE2-CD1 4.24Å; F952-I1032 HydrophobicContact CZ-CD1 4.3Å; I1028-I1032 HydrophobicContact CG2-CD1 3.67Å; I1028-I1032 WeakPolarHBondContact O-CB 3.42Å; I1028-I1032 WeakPolarHBondContact O-CD1 3.4Å; I1028-I1032 VanDerWaalsContact O-CG1 3.25Å; I1028-I1032 WeakPolarHBondContact O-CG1 3.2Å; I1028-I1032 PolarHBondContact O-N 2.92Å; H1029-I1032 PolarHBondContact O-N 3.26Å; I1032-L1035 PolarHBondContact O-N 3.31Å; I1032-I1036 HydrophobicContact CG2-CD1 3.76Å; I1032-I1036 HydrophobicContact CG2-CG1 4.34Å; I1032-I1036 VanDerWaalsContact O-CG1 3.3Å; I1032-I1036 WeakPolarHBondContact O-CG1 3.38Å; I1032-I1036 PolarHBondContact O-N 3.25Å; I1032-I1063 HydrophobicContact CG2-CG2 4.21Å; I1032-F1066 HydrophobicContact CD1-CD1 4.28Å; I1032-F1066 HydrophobicContact CD1-CE1 3.81Å; I1032-Y1067 HydrophobicContact CB-CD2 4.29Å; I1032-Y1067 HydrophobicContact CG2-CD2 3.65Å; I1032-Y1067 HydrophobicContact CG2-CG 4.12Å
1033Y70.4Confident65.5Low37 Ų3729 Ų2915%0.14515%0.148CC..Hα-helixtrans-58.4-48173.8167.3-106.6000111.6H1029 E1030 L1035 I1036 N1037 K1086H1029-Y1033 VanDerWaalsContact O-CB 3.23Å; H1029-Y1033 WeakPolarHBondContact O-CB 3.25Å; H1029-Y1033 PolarHBondContact O-N 3.2Å; E1030-Y1033 PolarHBondContact O-N 3.36Å; Y1033-L1035 VanDerWaalsContact C-N 3.3Å; Y1033-L1035 PolarHBondContact O-N 3.08Å; Y1033-I1036 PolarHBondContact O-N 3.37Å; Y1033-I1036 VanDerWaalsContact O-N 3.17Å; Y1033-N1037 HydrophobicContact CE2-CB 4.39Å; Y1033-N1037 WeakPolarHBondContact O-CB 3.34Å; Y1033-N1037 PolarHBondContact O-N 3.28Å; Y1033-K1086 HydrophobicContact CD1-CB 4.32Å; Y1033-K1086 HydrophobicContact CD1-CD 3.85Å; Y1033-K1086 HydrophobicContact CD1-CG 4.17Å; Y1033-K1086 HydrophobicContact CD2-CB 3.77Å; Y1033-K1086 HydrophobicContact CD2-CG 4.43Å; Y1033-K1086 WeakPolarHBondContact CD2-O 3.24Å; Y1033-K1086 HydrophobicContact CE1-CB 4.08Å; Y1033-K1086 HydrophobicContact CE1-CD 3.71Å; Y1033-K1086 HydrophobicContact CE1-CG 3.66Å; Y1033-K1086 HydrophobicContact CE2-CB 3.53Å; Y1033-K1086 HydrophobicContact CE2-CG 4.01Å; Y1033-K1086 WeakPolarHBondContact CE2-O 2.87Å; Y1033-K1086 HydrophobicContact CG-CB 4.16Å; Y1033-K1086 HydrophobicContact CG-CD 4.35Å
1034N68.3Low65.2Low75 Ų7535.8 Ų35.840%0.40117%0.172SC..Hα-helixtrans-60.2-39.9178.9-72.4-24.9000111.9E1030 P1031 L1038E1030-N1034 VanDerWaalsContact O-CG 3.28Å; E1030-N1034 PolarHBondContact O-N 2.94Å; E1030-N1034 PolarHBondContact O-ND2 3.42Å; P1031-N1034 PolarHBondContact O-N 3.01Å; N1034-L1038 WeakPolarHBondContact O-CB 3.17Å; N1034-L1038 PolarHBondContact O-N 2.89Å
1035L67.9Low64.5Low8 Ų838 Ų384%0.04219%0.188CC..Hα-helixtrans-64.4-46173.617967.8000112.3F952 L953 F955 P1031 I1032 Y1033 N1037 L1038 L1039 I1063F952-L1035 WeakPolarHBondContact O-CD2 3.45Å; L953-L1035 HydrophobicContact CD2-CB 3.54Å; L953-L1035 HydrophobicContact CD2-CD1 4.08Å; L953-L1035 HydrophobicContact CD2-CD2 3.73Å; L953-L1035 HydrophobicContact CD2-CG 3.96Å; F955-L1035 HydrophobicContact CD2-CD1 4.12Å; P1031-L1035 PolarHBondContact O-N 3.22Å; P1031-L1035 VanDerWaalsContact O-N 3.08Å; I1032-L1035 PolarHBondContact O-N 3.31Å; Y1033-L1035 VanDerWaalsContact C-N 3.3Å; Y1033-L1035 PolarHBondContact O-N 3.08Å; L1035-N1037 VanDerWaalsContact C-N 3.32Å; L1035-N1037 PolarHBondContact O-N 3.24Å; L1035-L1038 PolarHBondContact O-N 3.28Å; L1035-L1039 HydrophobicContact CD1-CD1 4.32Å; L1035-L1039 HydrophobicContact CD1-CG 4.33Å; L1035-L1039 HydrophobicContact CD2-CD1 4.44Å; L1035-L1039 HydrophobicContact CG-CD1 3.93Å; L1035-L1039 HydrophobicContact CG-CG 4.35Å; L1035-L1039 WeakPolarHBondContact O-CB 3.47Å; L1035-L1039 VanDerWaalsContact O-CG 3.24Å; L1035-L1039 WeakPolarHBondContact O-CG 3.42Å; L1035-L1039 PolarHBondContact O-N 3.44Å; L1035-I1063 HydrophobicContact CD2-CD1 3.66Å; L1035-I1063 HydrophobicContact CD2-CG2 4.47Å
1036I71.5Confident63.5Low0 Ų045.4 Ų45.40%022%0.222CC..Hα-helixtrans-61.7-44.4178.3-70.6167.6000110.4I1032 Y1033 L1038 L1039 I1040 I1063 V1064 Y1067 S1090I1032-I1036 HydrophobicContact CG2-CD1 3.76Å; I1032-I1036 HydrophobicContact CG2-CG1 4.34Å; I1032-I1036 VanDerWaalsContact O-CG1 3.3Å; I1032-I1036 WeakPolarHBondContact O-CG1 3.38Å; I1032-I1036 PolarHBondContact O-N 3.25Å; Y1033-I1036 PolarHBondContact O-N 3.37Å; Y1033-I1036 VanDerWaalsContact O-N 3.17Å; I1036-L1038 VanDerWaalsContact C-N 3.3Å; I1036-L1038 PolarHBondContact O-N 3.27Å; I1036-L1039 PolarHBondContact O-N 3.16Å; I1036-I1040 HydrophobicContact CG2-CD1 3.46Å; I1036-I1040 VanDerWaalsContact CG2-CD1 3.46Å; I1036-I1040 HydrophobicContact CG2-CG1 4.14Å; I1036-I1040 WeakPolarHBondContact O-CB 3.47Å; I1036-I1040 VanDerWaalsContact O-CG1 3.24Å; I1036-I1040 WeakPolarHBondContact O-CG1 3.24Å; I1036-I1040 PolarHBondContact O-N 3.26Å; I1036-I1063 HydrophobicContact CD1-CG2 3.97Å; I1036-I1063 HydrophobicContact CG1-CG2 3.6Å; I1036-V1064 HydrophobicContact CG1-CG2 4.31Å; I1036-V1064 HydrophobicContact CG2-CG2 3.84Å; I1036-Y1067 HydrophobicContact CD1-CD1 3.49Å; I1036-Y1067 VanDerWaalsContact CD1-CD1 3.49Å; I1036-Y1067 HydrophobicContact CD1-CD2 4Å; I1036-Y1067 HydrophobicContact CD1-CE1 4.21Å; I1036-Y1067 HydrophobicContact CD1-CG 3.36Å; I1036-S1090 WeakPolarHBondContact CG2-OG 3.16Å
1037N69.2Low62.8Low56 Ų5643.4 Ų43.430%0.29922%0.217SC..Hα-helixtrans-61.4-41.4177.5-164.716.9000110.9Y1033 L1035 I1040 N1041Y1033-N1037 HydrophobicContact CE2-CB 4.39Å; Y1033-N1037 WeakPolarHBondContact O-CB 3.34Å; Y1033-N1037 PolarHBondContact O-N 3.28Å; L1035-N1037 VanDerWaalsContact C-N 3.32Å; L1035-N1037 PolarHBondContact O-N 3.24Å; N1037-I1040 PolarHBondContact O-N 3.06Å; N1037-N1041 VanDerWaalsContact O-CB 3.26Å; N1037-N1041 WeakPolarHBondContact O-CB 3.01Å; N1037-N1041 PolarHBondContact O-N 3.41Å; N1037-N1041 PolarHBondContact O-ND2 3.42Å; N1037-N1041 VanDerWaalsContact O-ND2 3.08Å; N1037-N1041 PolarHBondContact OD1-ND2 2.93Å
1038L66Low62.1Low28 Ų2848.3 Ų48.315%0.14725%0.246CC..Hα-helixtrans-60.9-51.5172.5-174139.1000111.4T957 W967 F971 N1034 L1035 I1036 I1040 N1041 V1042T957-L1038 HydrophobicContact CG2-CD1 4.4Å; W967-L1038 HydrophobicContact CZ3-CD2 4.33Å; F971-L1038 HydrophobicContact CE2-CD2 4.24Å; N1034-L1038 WeakPolarHBondContact O-CB 3.17Å; N1034-L1038 PolarHBondContact O-N 2.89Å; L1035-L1038 PolarHBondContact O-N 3.28Å; I1036-L1038 VanDerWaalsContact C-N 3.3Å; I1036-L1038 PolarHBondContact O-N 3.27Å; L1038-I1040 VanDerWaalsContact C-N 3.29Å; L1038-I1040 PolarHBondContact O-N 2.77Å; L1038-N1041 PolarHBondContact O-N 2.86Å; L1038-N1041 VanDerWaalsContact O-N 3.1Å; L1038-V1042 HydrophobicContact CD2-CG2 4.04Å; L1038-V1042 HydrophobicContact CG-CG2 4.44Å; L1038-V1042 WeakPolarHBondContact O-CG2 3.13Å; L1038-V1042 PolarHBondContact O-N 2.91Å
1039L67.7Low61.4Low0 Ų054 Ų540%028%0.277CS..Hα-helixtrans-59.3-36.3179.7-71.8171.4000113.4F971 L1035 I1036 T1043 F1056 F1059 R1060 I1063F971-L1039 HydrophobicContact CE1-CD2 4.3Å; F971-L1039 HydrophobicContact CE2-CD2 4.28Å; F971-L1039 HydrophobicContact CZ-CD2 3.51Å; L1035-L1039 HydrophobicContact CD1-CD1 4.32Å; L1035-L1039 HydrophobicContact CD1-CG 4.33Å; L1035-L1039 HydrophobicContact CD2-CD1 4.44Å; L1035-L1039 HydrophobicContact CG-CD1 3.93Å; L1035-L1039 HydrophobicContact CG-CG 4.35Å; L1035-L1039 WeakPolarHBondContact O-CB 3.47Å; L1035-L1039 VanDerWaalsContact O-CG 3.24Å; L1035-L1039 WeakPolarHBondContact O-CG 3.42Å; L1035-L1039 PolarHBondContact O-N 3.44Å; I1036-L1039 PolarHBondContact O-N 3.16Å; L1039-T1043 WeakPolarHBondContact O-CG2 3.26Å; L1039-F1056 HydrophobicContact CD2-CD2 4.5Å; L1039-F1056 HydrophobicContact CD2-CE2 3.61Å; L1039-F1056 HydrophobicContact CD2-CZ 4.1Å; L1039-F1059 HydrophobicContact CD1-CD1 4.07Å; L1039-F1059 HydrophobicContact CD1-CE1 3.79Å; L1039-F1059 HydrophobicContact CD2-CD1 4.06Å; L1039-F1059 HydrophobicContact CD2-CE1 3.97Å; L1039-R1060 HydrophobicContact CB-CG 4.29Å; L1039-I1063 HydrophobicContact CD1-CD1 4.19Å
1040I67.7Low60.5Low10 Ų1055.3 Ų55.35%0.05128%0.282CS..Hα-helixtrans-75.4-40.1175.5-66171.6000110.1I1036 N1037 L1038 T1043 F1093I1036-I1040 HydrophobicContact CG2-CD1 3.46Å; I1036-I1040 VanDerWaalsContact CG2-CD1 3.46Å; I1036-I1040 HydrophobicContact CG2-CG1 4.14Å; I1036-I1040 WeakPolarHBondContact O-CB 3.47Å; I1036-I1040 VanDerWaalsContact O-CG1 3.24Å; I1036-I1040 WeakPolarHBondContact O-CG1 3.24Å; I1036-I1040 PolarHBondContact O-N 3.26Å; N1037-I1040 PolarHBondContact O-N 3.06Å; L1038-I1040 VanDerWaalsContact C-N 3.29Å; L1038-I1040 PolarHBondContact O-N 2.77Å; I1040-T1043 PolarHBondContact O-N 3.37Å; I1040-T1043 PolarHBondContact O-OG1 2.89Å; I1040-F1093 HydrophobicContact CD1-CB 3.72Å; I1040-F1093 HydrophobicContact CD1-CD1 4.06Å; I1040-F1093 HydrophobicContact CD1-CD2 4.45Å; I1040-F1093 HydrophobicContact CD1-CG 3.76Å; I1040-F1093 HydrophobicContact CG1-CB 4.25Å; I1040-F1093 HydrophobicContact CG1-CD1 4.03Å; I1040-F1093 HydrophobicContact CG1-CD2 4.06Å; I1040-F1093 HydrophobicContact CG1-CG 3.76Å; I1040-F1093 HydrophobicContact CG2-CD2 4.12Å; I1040-F1093 HydrophobicContact CG2-CG 4.42Å
1041N64.1Low59.7Low64 Ų6455.1 Ų55.134%0.34228%0.281SS..Hα-helixtrans-72.2-31.2-179.9-71-29.3000113.5N1037 L1038 T1043 R1044 S1045N1037-N1041 VanDerWaalsContact O-CB 3.26Å; N1037-N1041 WeakPolarHBondContact O-CB 3.01Å; N1037-N1041 PolarHBondContact O-N 3.41Å; N1037-N1041 PolarHBondContact O-ND2 3.42Å; N1037-N1041 VanDerWaalsContact O-ND2 3.08Å; N1037-N1041 PolarHBondContact OD1-ND2 2.93Å; L1038-N1041 PolarHBondContact O-N 2.86Å; L1038-N1041 VanDerWaalsContact O-N 3.1Å; N1041-T1043 PolarHBondContact O-N 2.76Å; N1041-R1044 WeakPolarHBondContact O-CB 3.37Å; N1041-R1044 PolarHBondContact O-N 3.3Å; N1041-S1045 PolarHBondContact O-N 3.43Å; N1041-S1045 VanDerWaalsContact O-N 3.16Å
1042V61Low59.2Low9 Ų962.1 Ų62.16%0.05531%0.311CS..Hα-helixtrans-55.8-34.8171.6-173.30000110.8W967 L1038 R1044 S1045W967-V1042 HydrophobicContact CH2-CG1 4.36Å; W967-V1042 HydrophobicContact CH2-CG2 3.58Å; W967-V1042 HydrophobicContact CZ3-CG2 4.17Å; L1038-V1042 HydrophobicContact CD2-CG2 4.04Å; L1038-V1042 HydrophobicContact CG-CG2 4.44Å; L1038-V1042 WeakPolarHBondContact O-CG2 3.13Å; L1038-V1042 PolarHBondContact O-N 2.91Å; V1042-R1044 VanDerWaalsContact C-N 3.27Å; V1042-R1044 PolarHBondContact O-N 3.25Å; V1042-S1045 PolarHBondContact O-OG 3.37Å
1043T54.8Low58.9Low31 Ų3163.7 Ų63.719%0.1932%0.322CS..THydrogen-bonded Turntrans-75.6-15178.667.50000113.5L1039 I1040 N1041 E1051 F1056 R1060L1039-T1043 WeakPolarHBondContact O-CG2 3.26Å; I1040-T1043 PolarHBondContact O-N 3.37Å; I1040-T1043 PolarHBondContact O-OG1 2.89Å; N1041-T1043 PolarHBondContact O-N 2.76Å; T1043-E1051 VanDerWaalsContact CA-OE1 3.28Å; T1043-E1051 WeakPolarHBondContact CA-OE1 3.27Å; T1043-E1051 WeakPolarHBondContact CB-OE1 3.45Å; T1043-E1051 VanDerWaalsContact O-OE1 3.12Å; T1043-F1056 HydrophobicContact CG2-CE1 3.77Å; T1043-F1056 HydrophobicContact CG2-CZ 4.25Å; T1043-R1060 VanDerWaalsContact CG2-NH1 3.32Å
1044R54.6Low58.6Low165 Ų16568.2 Ų68.262%0.62335%0.348SS*.THydrogen-bonded Turntrans-90.2-31175.4-69.1178.8168.6174.8-7.1112.1N1041 V1042N1041-R1044 WeakPolarHBondContact O-CB 3.37Å; N1041-R1044 PolarHBondContact O-N 3.3Å; V1042-R1044 VanDerWaalsContact C-N 3.27Å; V1042-R1044 PolarHBondContact O-N 3.25Å
1045S50.8Low58.3Low56 Ų5668 Ų6839%0.39235%0.347SS..SBendtrans-74.9125.9173.950.60000110.5N1041 V1042 S1047N1041-S1045 PolarHBondContact O-N 3.43Å; N1041-S1045 VanDerWaalsContact O-N 3.16Å; V1042-S1045 PolarHBondContact O-OG 3.37Å; S1045-S1047 PolarHBondContact O-N 2.92Å
1046Q42.2Very low58.3Low189 Ų18967.8 Ų67.888%0.88335%0.346SS*.  trans-67.748.2-175-64.7178-1400114.7V1048Q1046-V1048 WeakPolarHBondContact O-CG2 3.16Å; Q1046-V1048 PolarHBondContact O-N 3.22Å
1047S48.9Very low58.1Low34 Ų3471.4 Ų71.424%0.23836%0.361CS..  trans-86.289.616960.70000109.7S1045 D1049S1045-S1047 PolarHBondContact O-N 2.92Å; S1047-D1049 VanDerWaalsContact C-N 3.33Å; S1047-D1049 PolarHBondContact O-N 3.1Å; S1047-D1049 VanDerWaalsContact O-N 3.15Å
1048V48Very low58Low105 Ų10570.8 Ų70.864%0.63636%0.362SS*.THydrogen-bonded Turntrans-67.5-12.3-159178.70000116.4Q1046Q1046-V1048 WeakPolarHBondContact O-CG2 3.16Å; Q1046-V1048 PolarHBondContact O-N 3.22Å
1049D50.3Low58.1Low142 Ų14269.5 Ų69.576%0.75936%0.355SS*.THydrogen-bonded Turntrans-98-24.2-173.3-73.6-30000115.8S1047S1047-D1049 VanDerWaalsContact C-N 3.33Å; S1047-D1049 PolarHBondContact O-N 3.1Å; S1047-D1049 VanDerWaalsContact O-N 3.15Å
1050F49Very low58.3Low46 Ų4670.6 Ų70.620%0.20236%0.359CS..G310 helixtrans-86.2-26.8-170.7-154.6-109.8000114.5F971 A972 L975 K1052 S1053 F1056F971-F1050 HydrophobicContact CD1-CE1 4.15Å; F971-F1050 HydrophobicContact CE1-CE1 4.21Å; A972-F1050 VanDerWaalsContact CA-CZ 3.41Å; A972-F1050 HydrophobicContact CB-CD2 3.89Å; A972-F1050 HydrophobicContact CB-CE1 4.39Å; A972-F1050 HydrophobicContact CB-CE2 3.08Å; A972-F1050 HydrophobicContact CB-CZ 3.4Å; L975-F1050 HydrophobicContact CD2-CE1 4.09Å; L975-F1050 HydrophobicContact CD2-CZ 4.16Å; F1050-K1052 PolarHBondContact O-N 3.03Å; F1050-K1052 VanDerWaalsContact O-N 3.14Å; F1050-S1053 PolarHBondContact O-N 2.87Å; F1050-S1053 PolarHBondContact O-OG 3.15Å; F1050-S1053 VanDerWaalsContact O-OG 3.09Å; F1050-F1056 HydrophobicContact CD1-CD2 4.16Å; F1050-F1056 HydrophobicContact CD1-CG 4.35Å; F1050-F1056 HydrophobicContact CE1-CB 4.19Å; F1050-F1056 AromaticContact CE1-CD2 3.72Å; F1050-F1056 HydrophobicContact CE1-CD2 3.72Å; F1050-F1056 HydrophobicContact CE1-CE2 4.39Å; F1050-F1056 HydrophobicContact CE1-CG 4.11Å
1051E49.4Very low58.5Low86 Ų8670.3 Ų70.340%0.40236%0.358SS..G310 helixtrans-62.5-20.1-179.9-66.3-160.713000114.1T1043 S1053 K1057T1043-E1051 VanDerWaalsContact CA-OE1 3.28Å; T1043-E1051 WeakPolarHBondContact CA-OE1 3.27Å; T1043-E1051 WeakPolarHBondContact CB-OE1 3.45Å; T1043-E1051 VanDerWaalsContact O-OE1 3.12Å; E1051-S1053 VanDerWaalsContact C-N 3.29Å; E1051-S1053 PolarHBondContact O-N 3.26Å; E1051-K1057 WeakPolarHBondContact O-CE 3.37Å
1052K52.1Low58.8Low161 Ų16168.5 Ų68.570%0.735%0.35SS*.G310 helixtrans-78.7-8.4-178.8-69.2-179.6-177.6169.40113.8F1050 N1054F1050-K1052 PolarHBondContact O-N 3.03Å; F1050-K1052 VanDerWaalsContact O-N 3.14Å; K1052-N1054 PolarHBondContact O-N 2.87Å
1053S63.5Low59.2Low36 Ų3668.1 Ų68.125%0.25235%0.348SS..  trans-77.9118.6179.168.40000111.9F1050 E1051 L1055 F1056 K1057F1050-S1053 PolarHBondContact O-N 2.87Å; F1050-S1053 PolarHBondContact O-OG 3.15Å; F1050-S1053 VanDerWaalsContact O-OG 3.09Å; E1051-S1053 VanDerWaalsContact C-N 3.29Å; E1051-S1053 PolarHBondContact O-N 3.26Å; S1053-L1055 PolarHBondContact O-N 3.33Å; S1053-F1056 PolarHBondContact O-N 3.33Å; S1053-F1056 WeakPolarHBondContact OG-CB 3.26Å; S1053-K1057 PolarHBondContact O-N 3.28Å
1054N64Low60.2Low131 Ų13166.7 Ų66.770%0.70134%0.338SS*.Hα-helixtrans-58.2-31.2175.2-78.4-12.8000112.4K1052 K1057 S1058K1052-N1054 PolarHBondContact O-N 2.87Å; N1054-K1057 PolarHBondContact O-N 2.74Å; N1054-S1058 WeakPolarHBondContact O-CB 3.36Å; N1054-S1058 PolarHBondContact O-N 2.76Å
1055L62.4Low61.2Low71 Ų7162.4 Ų62.437%0.37232%0.322SS..Hα-helixtrans-59-48.1176.3-163.387.2000112L975 H979 S1053 S1058 F1059L975-L1055 HydrophobicContact CG-CD2 4.44Å; H979-L1055 HydrophobicContact CB-CD1 4.33Å; H979-L1055 HydrophobicContact CB-CD2 4.14Å; H979-L1055 HydrophobicContact CB-CG 4.18Å; H979-L1055 WeakPolarHBondContact CD2-CD1 3.18Å; H979-L1055 PolarHBondContact CE1-O 2.92Å; S1053-L1055 PolarHBondContact O-N 3.33Å; L1055-S1058 PolarHBondContact O-N 3.16Å; L1055-F1059 WeakPolarHBondContact O-CB 3.45Å; L1055-F1059 PolarHBondContact O-N 3.35Å
1056F66.5Low62.1Low3 Ų360.3 Ų60.31%0.01331%0.306CS..Hα-helixtrans-64.5-43.3179.2178.2-98.3000112F971 L975 L1039 T1043 F1050 S1053 S1058 F1059 R1060F971-F1056 AromaticContact CE1-CD2 3.93Å; F971-F1056 HydrophobicContact CE1-CD2 3.93Å; F971-F1056 AromaticContact CE1-CE2 3.67Å; F971-F1056 HydrophobicContact CE1-CE2 3.67Å; F971-F1056 HydrophobicContact CZ-CE2 4.16Å; L975-F1056 HydrophobicContact CD2-CB 3.97Å; L975-F1056 HydrophobicContact CD2-CD2 3.64Å; L975-F1056 HydrophobicContact CD2-CG 4.3Å; L1039-F1056 HydrophobicContact CD2-CD2 4.5Å; L1039-F1056 HydrophobicContact CD2-CE2 3.61Å; L1039-F1056 HydrophobicContact CD2-CZ 4.1Å; T1043-F1056 HydrophobicContact CG2-CE1 3.77Å; T1043-F1056 HydrophobicContact CG2-CZ 4.25Å; F1050-F1056 HydrophobicContact CD1-CD2 4.16Å; F1050-F1056 HydrophobicContact CD1-CG 4.35Å; F1050-F1056 HydrophobicContact CE1-CB 4.19Å; F1050-F1056 AromaticContact CE1-CD2 3.72Å; F1050-F1056 HydrophobicContact CE1-CD2 3.72Å; F1050-F1056 HydrophobicContact CE1-CE2 4.39Å; F1050-F1056 HydrophobicContact CE1-CG 4.11Å; S1053-F1056 PolarHBondContact O-N 3.33Å; S1053-F1056 WeakPolarHBondContact OG-CB 3.26Å; F1056-S1058 PolarHBondContact O-N 3.48Å; F1056-F1059 WeakPolarHBondContact O-CB 3.13Å; F1056-F1059 PolarHBondContact O-N 3.02Å; F1056-R1060 WeakPolarHBondContact O-CB 3.36Å; F1056-R1060 PolarHBondContact O-N 3.48Å
1057K68.5Low63.7Low76 Ų7651.5 Ų51.533%0.3327%0.265SS..Hα-helixtrans-61.2-46176.4-66.9-177.4-175.6175.90111.5E1051 S1053 N1054 N1061E1051-K1057 WeakPolarHBondContact O-CE 3.37Å; S1053-K1057 PolarHBondContact O-N 3.28Å; N1054-K1057 PolarHBondContact O-N 2.74Å; K1057-N1061 VanDerWaalsContact O-CB 3.31Å; K1057-N1061 WeakPolarHBondContact O-CB 3.41Å; K1057-N1061 PolarHBondContact O-N 3.24Å; K1057-N1061 PolarHBondContact O-ND2 3.14Å; K1057-N1061 PolarHBondContact O-OD1 2.87Å
1058S66.4Low64.9Low44 Ų4449.9 Ų49.931%0.30825%0.254SS..Hα-helixtrans-60.5-44.8177.5-177.90000111.9N1054 L1055 F1056 S1062N1054-S1058 WeakPolarHBondContact O-CB 3.36Å; N1054-S1058 PolarHBondContact O-N 2.76Å; L1055-S1058 PolarHBondContact O-N 3.16Å; F1056-S1058 PolarHBondContact O-N 3.48Å; S1058-S1062 WeakPolarHBondContact O-CB 3.44Å; S1058-S1062 PolarHBondContact O-N 3.43Å; S1058-S1062 PolarHBondContact O-OG 2.83Å
1059F67.2Low65.9Low1 Ų147.2 Ų47.20%0.00424%0.236CC..Hα-helixtrans-58.9-57.7178.7-178.3-115.2000112.4F955 L975 H979 I982 L1039 L1055 F1056 N1061 S1062 I1063F955-F1059 HydrophobicContact CE2-CE1 4.34Å; F955-F1059 AromaticContact CE2-CZ 3.87Å; F955-F1059 HydrophobicContact CE2-CZ 3.87Å; F955-F1059 HydrophobicContact CZ-CE1 4.43Å; F955-F1059 HydrophobicContact CZ-CZ 4.18Å; L975-F1059 HydrophobicContact CD1-CB 4.06Å; L975-F1059 HydrophobicContact CD1-CD1 3.33Å; L975-F1059 HydrophobicContact CD1-CD2 3.84Å; L975-F1059 HydrophobicContact CD1-CE1 3.51Å; L975-F1059 HydrophobicContact CD1-CE2 3.97Å; L975-F1059 HydrophobicContact CD1-CG 3.47Å; L975-F1059 VanDerWaalsContact CD1-CG 3.47Å; L975-F1059 HydrophobicContact CD1-CZ 3.8Å; H979-F1059 PolarHBondContact CE1-N 2.92Å; H979-F1059 VanDerWaalsContact ND1-CB 3.29Å; H979-F1059 WeakPolarHBondContact ND1-CB 3.43Å; H979-F1059 AromaticContact ND1-CD2 3.46Å; H979-F1059 WeakPolarHBondContact ND1-CD2 3.25Å; H979-F1059 AromaticContact ND1-CG 3.79Å; I982-F1059 HydrophobicContact CB-CE2 3.76Å; I982-F1059 HydrophobicContact CD1-CE2 3.31Å; I982-F1059 HydrophobicContact CD1-CZ 3.44Å; I982-F1059 VanDerWaalsContact CD1-CZ 3.44Å; I982-F1059 HydrophobicContact CG1-CE2 4.06Å; I982-F1059 HydrophobicContact CG2-CD2 4.39Å; I982-F1059 HydrophobicContact CG2-CE2 3.71Å; L1039-F1059 HydrophobicContact CD1-CD1 4.07Å; L1039-F1059 HydrophobicContact CD1-CE1 3.79Å; L1039-F1059 HydrophobicContact CD2-CD1 4.06Å; L1039-F1059 HydrophobicContact CD2-CE1 3.97Å; L1055-F1059 WeakPolarHBondContact O-CB 3.45Å; L1055-F1059 PolarHBondContact O-N 3.35Å; F1056-F1059 WeakPolarHBondContact O-CB 3.13Å; F1056-F1059 PolarHBondContact O-N 3.02Å; F1059-N1061 VanDerWaalsContact C-N 3.3Å; F1059-N1061 PolarHBondContact O-N 3.06Å; F1059-S1062 PolarHBondContact O-N 3.47Å; F1059-S1062 VanDerWaalsContact O-N 3.09Å; F1059-I1063 HydrophobicContact CD1-CD1 4.12Å; F1059-I1063 HydrophobicContact CD2-CD1 4.12Å; F1059-I1063 HydrophobicContact CE1-CD1 3.51Å; F1059-I1063 HydrophobicContact CE2-CD1 3.51Å; F1059-I1063 HydrophobicContact CE2-CG1 4.29Å; F1059-I1063 HydrophobicContact CG-CD1 4.41Å; F1059-I1063 HydrophobicContact CZ-CD1 3.19Å; F1059-I1063 HydrophobicContact CZ-CG1 4.37Å; F1059-I1063 PolarHBondContact O-N 3.45Å
1060R72.2Confident66.8Low23 Ų2341.7 Ų41.79%0.08721%0.206CC..Hα-helixtrans-55.6-47.4-179.2177.1-168.263.8-173.72.3110.8L1039 T1043 F1056 S1062 I1063 V1064 F1093L1039-R1060 HydrophobicContact CB-CG 4.29Å; T1043-R1060 VanDerWaalsContact CG2-NH1 3.32Å; F1056-R1060 WeakPolarHBondContact O-CB 3.36Å; F1056-R1060 PolarHBondContact O-N 3.48Å; R1060-S1062 VanDerWaalsContact C-N 3.29Å; R1060-S1062 PolarHBondContact O-N 2.71Å; R1060-I1063 PolarHBondContact O-N 3.44Å; R1060-V1064 WeakPolarHBondContact O-CB 3.46Å; R1060-V1064 WeakPolarHBondContact O-CG2 3.37Å; R1060-V1064 PolarHBondContact O-N 3.36Å; R1060-F1093 VanDerWaalsContact CD-CZ 3.45Å; R1060-F1093 HydrophobicContact CG-CE1 3.94Å; R1060-F1093 HydrophobicContact CG-CZ 4.27Å
1061N73.6Confident67.8Low4 Ų439.7 Ų39.72%0.02120%0.197CC..Hα-helixtrans-64.3-34.5-179.5-65.8-6.5000112.1K1057 F1059 R1065 N1099 C1102K1057-N1061 VanDerWaalsContact O-CB 3.31Å; K1057-N1061 WeakPolarHBondContact O-CB 3.41Å; K1057-N1061 PolarHBondContact O-N 3.24Å; K1057-N1061 PolarHBondContact O-ND2 3.14Å; K1057-N1061 PolarHBondContact O-OD1 2.87Å; F1059-N1061 VanDerWaalsContact C-N 3.3Å; F1059-N1061 PolarHBondContact O-N 3.06Å; N1061-R1065 WeakPolarHBondContact O-CB 3.4Å; N1061-R1065 PolarHBondContact O-N 2.81Å; N1061-N1099 HydrophobicContact CB-CB 4.09Å; N1061-N1099 VanDerWaalsContact ND2-CB 3.3Å; N1061-N1099 WeakPolarHBondContact ND2-CB 3.5Å; N1061-C1102 HydrophobicContact CB-CB 3.99Å
1062S68.4Low68.8Low25 Ų2537.5 Ų37.518%0.17519%0.189CC..Hα-helixtrans-72.8-41.3-179.6-60.60000112.8L983 S1058 F1059 R1060 R1065 F1066L983-S1062 VanDerWaalsContact CD2-OG 3.27Å; L983-S1062 WeakPolarHBondContact CD2-OG 3.27Å; S1058-S1062 WeakPolarHBondContact O-CB 3.44Å; S1058-S1062 PolarHBondContact O-N 3.43Å; S1058-S1062 PolarHBondContact O-OG 2.83Å; F1059-S1062 PolarHBondContact O-N 3.47Å; F1059-S1062 VanDerWaalsContact O-N 3.09Å; R1060-S1062 VanDerWaalsContact C-N 3.29Å; R1060-S1062 PolarHBondContact O-N 2.71Å; S1062-R1065 PolarHBondContact O-N 3.39Å; S1062-F1066 PolarHBondContact O-N 3.31Å
1063I70.6Confident69.4Low2 Ų234 Ų341%0.0117%0.172CC..Hα-helixtrans-67.7-46.4175.9-66.6-177.5000110.9I982 I986 I1032 L1035 I1036 L1039 F1059 R1060 R1065 F1066 Y1067I982-I1063 HydrophobicContact CG2-CD1 4.03Å; I982-I1063 HydrophobicContact CG2-CG1 3.97Å; I986-I1063 HydrophobicContact CD1-CG1 4.27Å; I1032-I1063 HydrophobicContact CG2-CG2 4.21Å; L1035-I1063 HydrophobicContact CD2-CD1 3.66Å; L1035-I1063 HydrophobicContact CD2-CG2 4.47Å; I1036-I1063 HydrophobicContact CD1-CG2 3.97Å; I1036-I1063 HydrophobicContact CG1-CG2 3.6Å; L1039-I1063 HydrophobicContact CD1-CD1 4.19Å; F1059-I1063 HydrophobicContact CD1-CD1 4.12Å; F1059-I1063 HydrophobicContact CD2-CD1 4.12Å; F1059-I1063 HydrophobicContact CE1-CD1 3.51Å; F1059-I1063 HydrophobicContact CE2-CD1 3.51Å; F1059-I1063 HydrophobicContact CE2-CG1 4.29Å; F1059-I1063 HydrophobicContact CG-CD1 4.41Å; F1059-I1063 HydrophobicContact CZ-CD1 3.19Å; F1059-I1063 HydrophobicContact CZ-CG1 4.37Å; F1059-I1063 PolarHBondContact O-N 3.45Å; R1060-I1063 PolarHBondContact O-N 3.44Å; I1063-R1065 VanDerWaalsContact C-N 3.27Å; I1063-R1065 PolarHBondContact O-N 3.2Å; I1063-F1066 PolarHBondContact O-N 3.41Å; I1063-F1066 VanDerWaalsContact O-N 3.13Å; I1063-Y1067 WeakPolarHBondContact O-CB 3.35Å; I1063-Y1067 PolarHBondContact O-N 3.35Å
1064V75.8Confident69.5Low0 Ų032.9 Ų32.90%016%0.163CC..Hα-helixtrans-58-44.1176.3171.10000110.2I1036 R1060 F1066 Y1067 L1068 S1090 F1093 A1094I1036-V1064 HydrophobicContact CG1-CG2 4.31Å; I1036-V1064 HydrophobicContact CG2-CG2 3.84Å; R1060-V1064 WeakPolarHBondContact O-CB 3.46Å; R1060-V1064 WeakPolarHBondContact O-CG2 3.37Å; R1060-V1064 PolarHBondContact O-N 3.36Å; V1064-F1066 PolarHBondContact O-N 3Å; V1064-Y1067 PolarHBondContact O-N 3.31Å; V1064-L1068 HydrophobicContact CG1-CD1 3.7Å; V1064-L1068 HydrophobicContact CG1-CG 4.33Å; V1064-L1068 WeakPolarHBondContact O-CB 3.11Å; V1064-L1068 WeakPolarHBondContact O-CG 3.4Å; V1064-L1068 PolarHBondContact O-N 3.14Å; V1064-S1090 WeakPolarHBondContact CG1-O 3.47Å; V1064-F1093 HydrophobicContact CG2-CD1 4.18Å; V1064-A1094 HydrophobicContact CG1-CB 3.63Å
1065R74.7Confident69.3Low75 Ų7528.3 Ų28.328%0.28314%0.141SC..Hα-helixtrans-60.6-44.8174.4177.8-179.8176-173.84.2112.6N1061 S1062 I1063 N1069 H1101 A1105N1061-R1065 WeakPolarHBondContact O-CB 3.4Å; N1061-R1065 PolarHBondContact O-N 2.81Å; S1062-R1065 PolarHBondContact O-N 3.39Å; I1063-R1065 VanDerWaalsContact C-N 3.27Å; I1063-R1065 PolarHBondContact O-N 3.2Å; R1065-N1069 WeakPolarHBondContact CG-ND2 3.29Å; R1065-N1069 WeakPolarHBondContact O-CB 3.34Å; R1065-N1069 PolarHBondContact O-N 3.11Å; R1065-N1069 VanDerWaalsContact O-N 3.1Å; R1065-N1069 PolarHBondContact O-ND2 2.99Å; R1065-H1101 VanDerWaalsContact CZ-CB 3.47Å; R1065-H1101 VanDerWaalsContact NH1-CB 3.26Å; R1065-A1105 HydrophobicContact CB-CB 4.43Å; R1065-A1105 HydrophobicContact CG-CB 4.07Å
1066F70.2Confident69.3Low12 Ų1228.9 Ų28.95%0.05314%0.144CC..Hα-helixtrans-61-49.8178.7172.8-102.5000111.1F952 I986 F989 I1032 S1062 I1063 V1064 L1068 N1069 M1070F952-F1066 HydrophobicContact CE1-CD1 4.35Å; F952-F1066 HydrophobicContact CE1-CE1 4.14Å; F952-F1066 HydrophobicContact CZ-CD1 4.48Å; F952-F1066 AromaticContact CZ-CE1 3.82Å; F952-F1066 HydrophobicContact CZ-CE1 3.82Å; F952-F1066 HydrophobicContact CZ-CZ 4.12Å; I986-F1066 HydrophobicContact CD1-CB 4.02Å; I986-F1066 HydrophobicContact CD1-CG 4.45Å; I986-F1066 HydrophobicContact CG1-CB 4.16Å; I986-F1066 HydrophobicContact CG1-CD2 4.22Å; I986-F1066 HydrophobicContact CG1-CG 4.11Å; I986-F1066 HydrophobicContact CG2-CB 4.15Å; I986-F1066 HydrophobicContact CG2-CD2 4Å; I986-F1066 HydrophobicContact CG2-CG 4.38Å; F989-F1066 HydrophobicContact CB-CE2 4.43Å; F989-F1066 HydrophobicContact CD2-CE2 4.47Å; F989-F1066 HydrophobicContact CD2-CZ 4.46Å; I1032-F1066 HydrophobicContact CD1-CD1 4.28Å; I1032-F1066 HydrophobicContact CD1-CE1 3.81Å; S1062-F1066 PolarHBondContact O-N 3.31Å; I1063-F1066 PolarHBondContact O-N 3.41Å; I1063-F1066 VanDerWaalsContact O-N 3.13Å; V1064-F1066 PolarHBondContact O-N 3Å; F1066-L1068 PolarHBondContact O-N 3.21Å; F1066-N1069 PolarHBondContact O-N 3.32Å; F1066-M1070 HydrophobicContact CE1-CG 4.25Å; F1066-M1070 HydrophobicContact CE2-CG 4.39Å; F1066-M1070 HydrophobicContact CZ-CG 4.08Å; F1066-M1070 WeakPolarHBondContact O-CB 3.44Å; F1066-M1070 PolarHBondContact O-N 2.9Å
1067Y75.2Confident69.1Low5 Ų536.7 Ų36.72%0.0218%0.181CC..Hα-helixtrans-60-46.1179.7176.3-106.8000112.8H1029 I1032 I1036 I1063 V1064 N1069 M1070 T1071 T1087H1029-Y1067 AromaticContact CD2-CE2 3.46Å; H1029-Y1067 VanDerWaalsContact CD2-CE2 3.46Å; H1029-Y1067 WeakPolarHBondContact CD2-CE2 3.34Å; H1029-Y1067 AromaticContact CD2-CZ 3.77Å; H1029-Y1067 PolarHBondContact CD2-OH 3.25Å; H1029-Y1067 AromaticContact NE2-CE2 3.86Å; H1029-Y1067 AromaticContact NE2-CZ 3.7Å; H1029-Y1067 PolarHBondContact NE2-OH 3.04Å; I1032-Y1067 HydrophobicContact CB-CD2 4.29Å; I1032-Y1067 HydrophobicContact CG2-CD2 3.65Å; I1032-Y1067 HydrophobicContact CG2-CG 4.12Å; I1036-Y1067 HydrophobicContact CD1-CD1 3.49Å; I1036-Y1067 VanDerWaalsContact CD1-CD1 3.49Å; I1036-Y1067 HydrophobicContact CD1-CD2 4Å; I1036-Y1067 HydrophobicContact CD1-CE1 4.21Å; I1036-Y1067 HydrophobicContact CD1-CG 3.36Å; I1063-Y1067 WeakPolarHBondContact O-CB 3.35Å; I1063-Y1067 PolarHBondContact O-N 3.35Å; V1064-Y1067 PolarHBondContact O-N 3.31Å; Y1067-N1069 PolarHBondContact O-N 2.9Å; Y1067-M1070 VanDerWaalsContact O-CB 3.26Å; Y1067-M1070 WeakPolarHBondContact O-CB 3.39Å; Y1067-M1070 PolarHBondContact O-N 3.02Å; Y1067-T1071 HydrophobicContact CE1-CG2 4.41Å; Y1067-T1071 HydrophobicContact CE2-CG2 4.22Å; Y1067-T1071 WeakPolarHBondContact O-CG2 3.29Å; Y1067-T1071 PolarHBondContact O-N 3.39Å; Y1067-T1071 PolarHBondContact O-OG1 3.46Å; Y1067-T1087 HydrophobicContact CD1-CG2 4.3Å; Y1067-T1087 HydrophobicContact CE1-CG2 3.58Å; Y1067-T1087 PolarHBondContact OH-OG1 3.3Å
1068L75Confident68.8Low0 Ų034.8 Ų34.80%017%0.171CC..Hα-helixtrans-66.2-38.1178.4-67.4170.8000112.7V1064 F1066 M1070 T1071 V1072 T1087 A1091 A1094 A1105 F1109V1064-L1068 HydrophobicContact CG1-CD1 3.7Å; V1064-L1068 HydrophobicContact CG1-CG 4.33Å; V1064-L1068 WeakPolarHBondContact O-CB 3.11Å; V1064-L1068 WeakPolarHBondContact O-CG 3.4Å; V1064-L1068 PolarHBondContact O-N 3.14Å; F1066-L1068 PolarHBondContact O-N 3.21Å; L1068-M1070 VanDerWaalsContact C-N 3.26Å; L1068-M1070 PolarHBondContact O-N 2.87Å; L1068-T1071 WeakPolarHBondContact CA-OG1 3.05Å; L1068-T1071 PolarHBondContact O-N 3.34Å; L1068-T1071 PolarHBondContact O-OG1 3.3Å; L1068-T1071 VanDerWaalsContact O-OG1 3.06Å; L1068-V1072 WeakPolarHBondContact O-CB 3.33Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.21Å; L1068-V1072 PolarHBondContact O-N 2.86Å; L1068-T1087 HydrophobicContact CD2-CG2 3.72Å; L1068-A1091 HydrophobicContact CD1-CB 4.4Å; L1068-A1091 HydrophobicContact CD2-CB 3.76Å; L1068-A1094 HydrophobicContact CD1-CB 3.68Å; L1068-A1105 HydrophobicContact CB-CB 4.2Å; L1068-A1105 HydrophobicContact CD1-CB 4.26Å; L1068-F1109 HydrophobicContact CD2-CB 4.08Å; L1068-F1109 HydrophobicContact CD2-CD1 4.07Å; L1068-F1109 HydrophobicContact CD2-CD2 4.45Å; L1068-F1109 HydrophobicContact CD2-CG 3.94Å
1069N70Confident68.8Low48 Ų4833 Ų3326%0.25716%0.159SC..Hα-helixtrans-69.4-28175.4-74.1-57.1000112.5R1065 F1066 Y1067 R1073R1065-N1069 WeakPolarHBondContact CG-ND2 3.29Å; R1065-N1069 WeakPolarHBondContact O-CB 3.34Å; R1065-N1069 PolarHBondContact O-N 3.11Å; R1065-N1069 VanDerWaalsContact O-N 3.1Å; R1065-N1069 PolarHBondContact O-ND2 2.99Å; F1066-N1069 PolarHBondContact O-N 3.32Å; Y1067-N1069 PolarHBondContact O-N 2.9Å; N1069-R1073 WeakPolarHBondContact O-CG 3.48Å
1070M68.9Low68.8Low27 Ų2736.3 Ų36.313%0.13318%0.179CC..Hα-helixtrans-67.8-51.4172.8-98.4-72-98.400111.5L1008 F1011 I1028 F1066 Y1067 L1068 V1072 R1073L1008-M1070 HydrophobicContact CD2-CE 4Å; L1008-M1070 HydrophobicContact CD2-CG 3.72Å; L1008-M1070 HydrophobicContact CD2-SD 3.03Å; L1008-M1070 WeakPolarHBondContact CD2-SD 3.47Å; L1008-M1070 HydrophobicContact CG-SD 4.34Å; F1011-M1070 HydrophobicContact CE2-SD 4.33Å; I1028-M1070 HydrophobicContact CG2-CE 3.99Å; F1066-M1070 HydrophobicContact CE1-CG 4.25Å; F1066-M1070 HydrophobicContact CE2-CG 4.39Å; F1066-M1070 HydrophobicContact CZ-CG 4.08Å; F1066-M1070 WeakPolarHBondContact O-CB 3.44Å; F1066-M1070 PolarHBondContact O-N 2.9Å; Y1067-M1070 VanDerWaalsContact O-CB 3.26Å; Y1067-M1070 WeakPolarHBondContact O-CB 3.39Å; Y1067-M1070 PolarHBondContact O-N 3.02Å; L1068-M1070 VanDerWaalsContact C-N 3.26Å; L1068-M1070 PolarHBondContact O-N 2.87Å; M1070-V1072 PolarHBondContact O-N 3.48Å; M1070-R1073 PolarHBondContact O-N 2.75Å; M1070-R1073 VanDerWaalsContact O-N 3.15Å
1071T70.3Confident68.4Low3 Ų339.7 Ų39.72%0.01820%0.196CC..Hα-helixtrans-66.8-35.7-17854.60000112.6Y1067 L1068 R1073 L1074 T1087 F1109Y1067-T1071 HydrophobicContact CE1-CG2 4.41Å; Y1067-T1071 HydrophobicContact CE2-CG2 4.22Å; Y1067-T1071 WeakPolarHBondContact O-CG2 3.29Å; Y1067-T1071 PolarHBondContact O-N 3.39Å; Y1067-T1071 PolarHBondContact O-OG1 3.46Å; L1068-T1071 WeakPolarHBondContact CA-OG1 3.05Å; L1068-T1071 PolarHBondContact O-N 3.34Å; L1068-T1071 PolarHBondContact O-OG1 3.3Å; L1068-T1071 VanDerWaalsContact O-OG1 3.06Å; T1071-R1073 PolarHBondContact O-N 2.96Å; T1071-R1073 VanDerWaalsContact O-N 3.14Å; T1071-L1074 WeakPolarHBondContact O-CB 3.49Å; T1071-L1074 PolarHBondContact O-N 3.1Å; T1071-T1087 HydrophobicContact CG2-CG2 4.04Å; T1071-F1109 WeakPolarHBondContact OG1-CE2 3.13Å
1072V68.8Low68.2Low40 Ų4046.7 Ų46.724%0.24223%0.228CC..THydrogen-bonded Turntrans-58.4-23.3174.2160.30000113.1L1068 M1070 F1109 I1112L1068-V1072 WeakPolarHBondContact O-CB 3.33Å; L1068-V1072 WeakPolarHBondContact O-CG2 3.21Å; L1068-V1072 PolarHBondContact O-N 2.86Å; M1070-V1072 PolarHBondContact O-N 3.48Å; V1072-F1109 HydrophobicContact CG2-CB 3.89Å; V1072-F1109 HydrophobicContact CG2-CD2 3.8Å; V1072-F1109 HydrophobicContact CG2-CG 4.36Å; V1072-I1112 HydrophobicContact CB-CD1 4.25Å; V1072-I1112 HydrophobicContact CG1-CD1 3.38Å; V1072-I1112 HydrophobicContact CG2-CD1 4Å
1073R64.8Low68.3Low89 Ų8946.2 Ų46.234%0.33622%0.223SC..THydrogen-bonded Turntrans-94.9-0-178-67.3178.8-176.7-168.30.8113.9L1008 N1009 F1011 N1012 N1069 M1070 T1071L1008-R1073 VanDerWaalsContact CB-NH1 3.28Å; L1008-R1073 WeakPolarHBondContact O-CD 3.47Å; N1009-R1073 PolarHBondContact OD1-NH1 3.08Å; N1009-R1073 VanDerWaalsContact OD1-NH1 3.09Å; F1011-R1073 WeakPolarHBondContact CB-O 3.33Å; N1012-R1073 PolarHBondContact OD1-O 3.39Å; N1069-R1073 WeakPolarHBondContact O-CG 3.48Å; M1070-R1073 PolarHBondContact O-N 2.75Å; M1070-R1073 VanDerWaalsContact O-N 3.15Å; T1071-R1073 PolarHBondContact O-N 2.96Å; T1071-R1073 VanDerWaalsContact O-N 3.14Å
1074L65.7Low68.4Low12 Ų1246.1 Ų46.16%0.06322%0.223CC..SBendtrans-73.6144.3175.5-68169.6000110.1F1011 L1025 T1071 L1079 L1083F1011-L1074 HydrophobicContact CD1-CD2 3.76Å; F1011-L1074 HydrophobicContact CE1-CD2 3.67Å; F1011-L1074 HydrophobicContact CE2-CD2 4.43Å; F1011-L1074 HydrophobicContact CG-CD2 4.18Å; F1011-L1074 HydrophobicContact CZ-CD2 4.01Å; L1025-L1074 HydrophobicContact CD2-CD1 3.86Å; L1025-L1074 HydrophobicContact CD2-CD2 4.27Å; T1071-L1074 WeakPolarHBondContact O-CB 3.49Å; T1071-L1074 PolarHBondContact O-N 3.1Å; L1074-L1079 HydrophobicContact CB-CD2 4.32Å; L1074-L1079 HydrophobicContact CD1-CD2 4.44Å; L1074-L1083 HydrophobicContact CD1-CD2 3.63Å
1075P60.6Low68.1Low35 Ų3549 Ų4923%0.22724%0.239CC..  trans-60.9148.1170.6-17.731.7000110.5F1011 E1077 Y1078F1011-P1075 WeakPolarHBondContact O-CG 3.22Å; P1075-E1077 PolarHBondContact O-N 2.95Å; P1075-Y1078 HydrophobicContact CB-CD2 4.16Å; P1075-Y1078 HydrophobicContact CG-CD2 4.08Å; P1075-Y1078 PolarHBondContact O-N 3.15Å
1076N62.7Low68Low82 Ų8248.6 Ų48.644%0.43924%0.239SC..G310 helixtrans-55.9-29.5-176.5-74.4-4.9000113.3Y1078 L1079 D1116N1076-Y1078 PolarHBondContact O-N 3.41Å; N1076-L1079 PolarHBondContact O-N 3.03Å; N1076-D1116 PolarHBondContact ND2-OD2 3.09Å
1077E61.5Low68.3Low168 Ų16848 Ų4879%0.78524%0.236SC*.G310 helixtrans-59.6-28.3175.5-63172.3-167.500113.7P1075P1075-E1077 PolarHBondContact O-N 2.95Å
1078Y62.2Low68.4Low35 Ų3548 Ų4814%0.13724%0.237CC..G310 helixtrans-97.7-9.7-177.8-69-86000113.6N1018 I1021 L1025 P1075 N1076 T1080 L1083N1018-Y1078 WeakPolarHBondContact CA-OH 3.45Å; N1018-Y1078 VanDerWaalsContact CG-OH 3.29Å; N1018-Y1078 PolarHBondContact OD1-OH 2.98Å; I1021-Y1078 HydrophobicContact CB-CD1 4.41Å; I1021-Y1078 HydrophobicContact CB-CE1 3.87Å; I1021-Y1078 HydrophobicContact CB-CE2 4.4Å; I1021-Y1078 HydrophobicContact CD1-CD2 4.26Å; I1021-Y1078 HydrophobicContact CD1-CE2 3.55Å; I1021-Y1078 HydrophobicContact CG2-CD1 3.51Å; I1021-Y1078 HydrophobicContact CG2-CD2 3.99Å; I1021-Y1078 HydrophobicContact CG2-CE1 3.47Å; I1021-Y1078 VanDerWaalsContact CG2-CE1 3.47Å; I1021-Y1078 HydrophobicContact CG2-CE2 3.99Å; I1021-Y1078 HydrophobicContact CG2-CG 3.77Å; L1025-Y1078 HydrophobicContact CD1-CD1 3.98Å; P1075-Y1078 HydrophobicContact CB-CD2 4.16Å; P1075-Y1078 HydrophobicContact CG-CD2 4.08Å; P1075-Y1078 PolarHBondContact O-N 3.15Å; N1076-Y1078 PolarHBondContact O-N 3.41Å; Y1078-T1080 PolarHBondContact O-N 3.49Å; Y1078-L1083 WeakPolarHBondContact O-CD2 3.21Å
1079L66.9Low68.5Low8 Ų850.1 Ų50.14%0.04225%0.25CS..  trans-75.258.6172.6-67.3176.8000110.7L1074 N1076 L1083 V1084 L1118 F1122L1074-L1079 HydrophobicContact CB-CD2 4.32Å; L1074-L1079 HydrophobicContact CD1-CD2 4.44Å; N1076-L1079 PolarHBondContact O-N 3.03Å; L1079-L1083 HydrophobicContact CD2-CD2 4.09Å; L1079-V1084 HydrophobicContact CB-CG2 4.3Å; L1079-L1118 HydrophobicContact CB-CD1 4.41Å; L1079-L1118 HydrophobicContact CB-CD2 4.44Å; L1079-L1118 HydrophobicContact CD1-CD1 3.77Å; L1079-F1122 WeakPolarHBondContact O-CE2 3.3Å; L1079-F1122 WeakPolarHBondContact O-CZ 3.22Å
1080T65.8Low68.9Low70 Ų7047.9 Ų47.943%0.42924%0.238SC..  trans-62.6158178.2610000112Y1078 Q1082 L1083 V1084Y1078-T1080 PolarHBondContact O-N 3.49Å; T1080-Q1082 PolarHBondContact O-N 3.43Å; T1080-L1083 WeakPolarHBondContact O-CB 3.48Å; T1080-L1083 PolarHBondContact O-N 3.24Å; T1080-V1084 WeakPolarHBondContact O-CG2 3.47Å; T1080-V1084 PolarHBondContact O-N 3.18Å
1081E65.3Low69.4Low94 Ų9446.6 Ų46.644%0.43923%0.232SC..Hα-helixtrans-52.3-43.6178.5-165.9-179.7164.900112L1083 V1084 N1085 F1122E1081-L1083 VanDerWaalsContact C-N 3.34Å; E1081-L1083 PolarHBondContact O-N 2.88Å; E1081-V1084 PolarHBondContact O-N 3.32Å; E1081-N1085 VanDerWaalsContact O-CB 3.26Å; E1081-N1085 WeakPolarHBondContact O-CB 3.13Å; E1081-N1085 PolarHBondContact O-N 3.08Å; E1081-N1085 PolarHBondContact O-ND2 2.73Å; E1081-F1122 HydrophobicContact CB-CD1 3.48Å; E1081-F1122 VanDerWaalsContact CB-CD1 3.48Å; E1081-F1122 HydrophobicContact CB-CE1 3.35Å; E1081-F1122 HydrophobicContact CB-CZ 4.33Å; E1081-F1122 HydrophobicContact CG-CD1 3.51Å; E1081-F1122 HydrophobicContact CG-CE1 3.97Å; E1081-F1122 HydrophobicContact CG-CG 4.37Å
1082Q68.6Low69.6Low151 Ų15146.9 Ų46.971%0.70623%0.233SC*.Hα-helixtrans-62.1-40.4178.7-66.4-175.5-3.400112.3T1080 K1086T1080-Q1082 PolarHBondContact O-N 3.43Å; Q1082-K1086 VanDerWaalsContact O-CG 3.29Å; Q1082-K1086 WeakPolarHBondContact O-CG 3.16Å; Q1082-K1086 PolarHBondContact O-N 2.89Å; Q1082-K1086 VanDerWaalsContact O-N 3.12Å
1083L70.8Confident69.9Low14 Ų1446.2 Ų46.27%0.07323%0.227CC..Hα-helixtrans-69.1-43.6178.5-161.883.9000111.3L1025 H1029 L1074 Y1078 L1079 T1080 E1081 K1086 T1087L1025-L1083 HydrophobicContact CD2-CD1 4.11Å; L1025-L1083 HydrophobicContact CD2-CD2 4.44Å; H1029-L1083 VanDerWaalsContact CD2-CD1 3.48Å; H1029-L1083 WeakPolarHBondContact CD2-CD1 3.23Å; H1029-L1083 WeakPolarHBondContact CE1-CD1 3.21Å; H1029-L1083 WeakPolarHBondContact NE2-CD1 3.39Å; L1074-L1083 HydrophobicContact CD1-CD2 3.63Å; Y1078-L1083 WeakPolarHBondContact O-CD2 3.21Å; L1079-L1083 HydrophobicContact CD2-CD2 4.09Å; T1080-L1083 WeakPolarHBondContact O-CB 3.48Å; T1080-L1083 PolarHBondContact O-N 3.24Å; E1081-L1083 VanDerWaalsContact C-N 3.34Å; E1081-L1083 PolarHBondContact O-N 2.88Å; L1083-K1086 PolarHBondContact O-N 3.4Å; L1083-T1087 WeakPolarHBondContact O-CB 3.38Å; L1083-T1087 PolarHBondContact O-N 2.88Å; L1083-T1087 PolarHBondContact O-OG1 3.4Å
1084V72.5Confident70.6Confident1 Ų142 Ų421%0.00621%0.211CC..Hα-helixtrans-64.6-44.7177.9173.40000110.4L1079 T1080 E1081 K1086 T1087 I1088 I1113 F1122 I1127L1079-V1084 HydrophobicContact CB-CG2 4.3Å; T1080-V1084 WeakPolarHBondContact O-CG2 3.47Å; T1080-V1084 PolarHBondContact O-N 3.18Å; E1081-V1084 PolarHBondContact O-N 3.32Å; V1084-K1086 VanDerWaalsContact C-N 3.32Å; V1084-K1086 PolarHBondContact O-N 3.33Å; V1084-T1087 PolarHBondContact O-N 3.09Å; V1084-I1088 HydrophobicContact CG1-CD1 3.47Å; V1084-I1088 VanDerWaalsContact CG1-CD1 3.47Å; V1084-I1088 HydrophobicContact CG1-CG1 3.93Å; V1084-I1088 WeakPolarHBondContact O-CB 3.22Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.39Å; V1084-I1088 PolarHBondContact O-N 2.8Å; V1084-I1113 HydrophobicContact CG1-CD1 3.94Å; V1084-F1122 HydrophobicContact CG2-CD2 4.5Å; V1084-F1122 HydrophobicContact CG2-CE2 4.05Å; V1084-I1127 HydrophobicContact CG1-CD1 4.32Å
1085N69.8Low71Confident60 Ų6041.7 Ų41.732%0.32121%0.21SC..Hα-helixtrans-58.7-40174.7-76.5-13.6000112.8E1081 P1089 I1127E1081-N1085 VanDerWaalsContact O-CB 3.26Å; E1081-N1085 WeakPolarHBondContact O-CB 3.13Å; E1081-N1085 PolarHBondContact O-N 3.08Å; E1081-N1085 PolarHBondContact O-ND2 2.73Å; N1085-P1089 WeakPolarHBondContact O-CD 3.45Å; N1085-I1127 WeakPolarHBondContact OD1-CD1 3.17Å; N1085-I1127 WeakPolarHBondContact OD1-CG1 3.34Å; N1085-I1127 WeakPolarHBondContact OD1-CG2 3.04Å
1086K73.1Confident71.3Confident66 Ų6642.6 Ų42.629%0.28722%0.215SC..Hα-helixtrans-68.8-37.3174.5-74.2-179.3177-176.90111.6Y1033 Q1082 L1083 V1084Y1033-K1086 HydrophobicContact CD1-CB 4.32Å; Y1033-K1086 HydrophobicContact CD1-CD 3.85Å; Y1033-K1086 HydrophobicContact CD1-CG 4.17Å; Y1033-K1086 HydrophobicContact CD2-CB 3.77Å; Y1033-K1086 HydrophobicContact CD2-CG 4.43Å; Y1033-K1086 WeakPolarHBondContact CD2-O 3.24Å; Y1033-K1086 HydrophobicContact CE1-CB 4.08Å; Y1033-K1086 HydrophobicContact CE1-CD 3.71Å; Y1033-K1086 HydrophobicContact CE1-CG 3.66Å; Y1033-K1086 HydrophobicContact CE2-CB 3.53Å; Y1033-K1086 HydrophobicContact CE2-CG 4.01Å; Y1033-K1086 WeakPolarHBondContact CE2-O 2.87Å; Y1033-K1086 HydrophobicContact CG-CB 4.16Å; Y1033-K1086 HydrophobicContact CG-CD 4.35Å; Q1082-K1086 VanDerWaalsContact O-CG 3.29Å; Q1082-K1086 WeakPolarHBondContact O-CG 3.16Å; Q1082-K1086 PolarHBondContact O-N 2.89Å; Q1082-K1086 VanDerWaalsContact O-N 3.12Å; L1083-K1086 PolarHBondContact O-N 3.4Å; V1084-K1086 VanDerWaalsContact C-N 3.32Å; V1084-K1086 PolarHBondContact O-N 3.33Å
1087T76.7Confident71.7Confident1 Ų138.9 Ų38.91%0.00620%0.196CC..Hα-helixtrans-88.1-34.1-169.8-54.30000114Y1067 L1068 T1071 L1083 V1084 S1090 A1091 F1109Y1067-T1087 HydrophobicContact CD1-CG2 4.3Å; Y1067-T1087 HydrophobicContact CE1-CG2 3.58Å; Y1067-T1087 PolarHBondContact OH-OG1 3.3Å; L1068-T1087 HydrophobicContact CD2-CG2 3.72Å; T1071-T1087 HydrophobicContact CG2-CG2 4.04Å; L1083-T1087 WeakPolarHBondContact O-CB 3.38Å; L1083-T1087 PolarHBondContact O-N 2.88Å; L1083-T1087 PolarHBondContact O-OG1 3.4Å; V1084-T1087 PolarHBondContact O-N 3.09Å; T1087-S1090 WeakPolarHBondContact O-CA 3.37Å; T1087-S1090 VanDerWaalsContact O-CB 3.3Å; T1087-S1090 WeakPolarHBondContact O-CB 3.34Å; T1087-S1090 PolarHBondContact O-N 3.14Å; T1087-A1091 PolarHBondContact O-N 3.43Å; T1087-F1109 VanDerWaalsContact CB-CZ 3.48Å; T1087-F1109 HydrophobicContact CG2-CD1 4.15Å; T1087-F1109 HydrophobicContact CG2-CD2 4.23Å; T1087-F1109 HydrophobicContact CG2-CE1 3.43Å; T1087-F1109 VanDerWaalsContact CG2-CE1 3.43Å; T1087-F1109 HydrophobicContact CG2-CE2 3.59Å; T1087-F1109 HydrophobicContact CG2-CG 4.48Å; T1087-F1109 HydrophobicContact CG2-CZ 3.11Å
1088I77Confident72.1Confident5 Ų535.2 Ų35.23%0.02619%0.188CC..Hα-helixtrans-54.5-46.2-178.8-81178.9000113.4V1084 S1090 A1091 L1092 F1109 I1113 L1124 I1127 I1128V1084-I1088 HydrophobicContact CG1-CD1 3.47Å; V1084-I1088 VanDerWaalsContact CG1-CD1 3.47Å; V1084-I1088 HydrophobicContact CG1-CG1 3.93Å; V1084-I1088 WeakPolarHBondContact O-CB 3.22Å; V1084-I1088 WeakPolarHBondContact O-CG1 3.39Å; V1084-I1088 PolarHBondContact O-N 2.8Å; I1088-S1090 PolarHBondContact O-N 2.98Å; I1088-A1091 WeakPolarHBondContact O-CB 3.06Å; I1088-A1091 PolarHBondContact O-N 2.7Å; I1088-L1092 HydrophobicContact CG2-CD1 3.62Å; I1088-L1092 HydrophobicContact CG2-CG 4.16Å; I1088-L1092 WeakPolarHBondContact O-CG 3.42Å; I1088-L1092 PolarHBondContact O-N 3.07Å; I1088-F1109 HydrophobicContact CG1-CE1 4.06Å; I1088-I1113 HydrophobicContact CD1-CD1 4.15Å; I1088-I1113 HydrophobicContact CG1-CD1 3.91Å; I1088-L1124 HydrophobicContact CD1-CD2 3.6Å; I1088-I1127 HydrophobicContact CB-CG2 3.97Å; I1088-I1127 HydrophobicContact CD1-CB 4.19Å; I1088-I1127 HydrophobicContact CD1-CD1 4.38Å; I1088-I1127 HydrophobicContact CD1-CG2 3.57Å; I1088-I1127 HydrophobicContact CG1-CG2 4.3Å; I1088-I1127 HydrophobicContact CG2-CG2 3.97Å; I1088-I1128 HydrophobicContact CG2-CG1 3.93Å
1089P76.1Confident72.6Confident43 Ų4335.9 Ų35.928%0.27919%0.194SC..Hα-helixtrans-56.6-35.4176.5-27.435.2000113.1N1085 F1093N1085-P1089 WeakPolarHBondContact O-CD 3.45Å; P1089-F1093 VanDerWaalsContact O-CB 3.24Å; P1089-F1093 WeakPolarHBondContact O-CB 3.27Å; P1089-F1093 PolarHBondContact O-N 3.17Å
1090S78.7Confident72.8Confident1 Ų138.2 Ų38.21%0.00721%0.209CC..Hα-helixtrans-71.7-37.6176.7-53.60000111.8I1036 V1064 T1087 I1088 A1094I1036-S1090 WeakPolarHBondContact CG2-OG 3.16Å; V1064-S1090 WeakPolarHBondContact CG1-O 3.47Å; T1087-S1090 WeakPolarHBondContact O-CA 3.37Å; T1087-S1090 VanDerWaalsContact O-CB 3.3Å; T1087-S1090 WeakPolarHBondContact O-CB 3.34Å; T1087-S1090 PolarHBondContact O-N 3.14Å; I1088-S1090 PolarHBondContact O-N 2.98Å; S1090-A1094 WeakPolarHBondContact O-CB 3.17Å; S1090-A1094 PolarHBondContact O-N 3.42Å
1091A79Confident72.9Confident0 Ų038 Ų380%020%0.203CC..Hα-helixtrans-67.7-43.2175.900000112.5L1068 T1087 I1088 A1094 T1095 F1109 I1110L1068-A1091 HydrophobicContact CD1-CB 4.4Å; L1068-A1091 HydrophobicContact CD2-CB 3.76Å; T1087-A1091 PolarHBondContact O-N 3.43Å; I1088-A1091 WeakPolarHBondContact O-CB 3.06Å; I1088-A1091 PolarHBondContact O-N 2.7Å; A1091-A1094 VanDerWaalsContact O-CB 3.29Å; A1091-A1094 WeakPolarHBondContact O-CB 3.31Å; A1091-A1094 PolarHBondContact O-N 2.86Å; A1091-A1094 VanDerWaalsContact O-N 3.17Å; A1091-T1095 WeakPolarHBondContact O-CG2 2.9Å; A1091-T1095 PolarHBondContact O-N 3.01Å; A1091-T1095 VanDerWaalsContact O-N 3.09Å; A1091-F1109 HydrophobicContact CB-CB 4.35Å; A1091-F1109 HydrophobicContact CB-CD1 3.43Å; A1091-F1109 VanDerWaalsContact CB-CD1 3.43Å; A1091-F1109 HydrophobicContact CB-CE1 4.13Å; A1091-F1109 HydrophobicContact CB-CG 4.28Å; A1091-I1110 HydrophobicContact CB-CD1 4.43Å; A1091-I1110 HydrophobicContact CB-CG1 4.09Å
1092L74.2Confident73.4Confident10 Ų1033.6 Ų33.65%0.05218%0.182CC..Hα-helixtrans-65.3-42.4174.1-69.4167.1000111.5I1088 A1094 T1095 T1096 I1110 I1128 Q1132 L1136I1088-L1092 HydrophobicContact CG2-CD1 3.62Å; I1088-L1092 HydrophobicContact CG2-CG 4.16Å; I1088-L1092 WeakPolarHBondContact O-CG 3.42Å; I1088-L1092 PolarHBondContact O-N 3.07Å; L1092-A1094 PolarHBondContact O-N 3.37Å; L1092-T1095 PolarHBondContact O-N 2.9Å; L1092-T1095 PolarHBondContact O-OG1 2.84Å; L1092-T1096 PolarHBondContact O-N 3.37Å; L1092-I1110 HydrophobicContact CD2-CD1 4.14Å; L1092-I1128 HydrophobicContact CD1-CG1 4.18Å; L1092-I1128 HydrophobicContact CD1-CG2 3.98Å; L1092-Q1132 HydrophobicContact CD1-CB 4.1Å; L1092-Q1132 HydrophobicContact CD1-CG 4.41Å; L1092-L1136 HydrophobicContact CD2-CD1 4.49Å; L1092-L1136 HydrophobicContact CD2-CD2 4.16Å
1093F76.8Confident73.7Confident26 Ų2626.8 Ų26.811%0.11415%0.15CC..Hα-helixtrans-56.2-44.2171.1174.6-90.3000110.7I1040 R1060 V1064 P1089 T1095 T1096 S1097I1040-F1093 HydrophobicContact CD1-CB 3.72Å; I1040-F1093 HydrophobicContact CD1-CD1 4.06Å; I1040-F1093 HydrophobicContact CD1-CD2 4.45Å; I1040-F1093 HydrophobicContact CD1-CG 3.76Å; I1040-F1093 HydrophobicContact CG1-CB 4.25Å; I1040-F1093 HydrophobicContact CG1-CD1 4.03Å; I1040-F1093 HydrophobicContact CG1-CD2 4.06Å; I1040-F1093 HydrophobicContact CG1-CG 3.76Å; I1040-F1093 HydrophobicContact CG2-CD2 4.12Å; I1040-F1093 HydrophobicContact CG2-CG 4.42Å; R1060-F1093 VanDerWaalsContact CD-CZ 3.45Å; R1060-F1093 HydrophobicContact CG-CE1 3.94Å; R1060-F1093 HydrophobicContact CG-CZ 4.27Å; V1064-F1093 HydrophobicContact CG2-CD1 4.18Å; P1089-F1093 VanDerWaalsContact O-CB 3.24Å; P1089-F1093 WeakPolarHBondContact O-CB 3.27Å; P1089-F1093 PolarHBondContact O-N 3.17Å; F1093-T1095 PolarHBondContact O-N 2.88Å; F1093-T1096 PolarHBondContact O-N 3.19Å; F1093-T1096 VanDerWaalsContact O-N 3.09Å; F1093-T1096 PolarHBondContact O-OG1 3.44Å; F1093-S1097 PolarHBondContact O-N 3.32Å
1094A78.5Confident73.8Confident0 Ų027.2 Ų27.20%015%0.152CC..Hα-helixtrans-61.5-38.2-179.400000113.3V1064 L1068 S1090 A1091 L1092 T1096 S1097 C1102 Q1103V1064-A1094 HydrophobicContact CG1-CB 3.63Å; L1068-A1094 HydrophobicContact CD1-CB 3.68Å; S1090-A1094 WeakPolarHBondContact O-CB 3.17Å; S1090-A1094 PolarHBondContact O-N 3.42Å; A1091-A1094 VanDerWaalsContact O-CB 3.29Å; A1091-A1094 WeakPolarHBondContact O-CB 3.31Å; A1091-A1094 PolarHBondContact O-N 2.86Å; A1091-A1094 VanDerWaalsContact O-N 3.17Å; L1092-A1094 PolarHBondContact O-N 3.37Å; A1094-T1096 PolarHBondContact O-N 3.48Å; A1094-S1097 VanDerWaalsContact O-CB 3.32Å; A1094-S1097 WeakPolarHBondContact O-CB 3.34Å; A1094-S1097 PolarHBondContact O-N 3.03Å; A1094-S1097 VanDerWaalsContact O-N 3.17Å; A1094-S1097 PolarHBondContact O-OG 3.08Å; A1094-C1102 WeakPolarHBondContact CB-O 3.47Å; A1094-C1102 VanDerWaalsContact CB-SG 3.6Å; A1094-Q1103 VanDerWaalsContact O-CA 3.26Å; A1094-Q1103 WeakPolarHBondContact O-CA 3.25Å; A1094-Q1103 PolarHBondContact O-N 3.37Å
1095T73.9Confident73.8Confident5 Ų527.3 Ų27.33%0.03115%0.153CC..Hα-helixtrans-65.7-26.717664.90000113A1091 L1092 F1093 L1107 I1110 L1136A1091-T1095 WeakPolarHBondContact O-CG2 2.9Å; A1091-T1095 PolarHBondContact O-N 3.01Å; A1091-T1095 VanDerWaalsContact O-N 3.09Å; L1092-T1095 PolarHBondContact O-N 2.9Å; L1092-T1095 PolarHBondContact O-OG1 2.84Å; F1093-T1095 PolarHBondContact O-N 2.88Å; T1095-L1107 HydrophobicContact CG2-CD2 3.79Å; T1095-L1107 HydrophobicContact CG2-CG 3.87Å; T1095-I1110 HydrophobicContact CG2-CD1 3.6Å; T1095-L1136 HydrophobicContact CG2-CD1 4.09Å; T1095-L1136 WeakPolarHBondContact OG1-CD1 3.36Å
1096T68.2Low74.2Confident55 Ų5524.4 Ų24.434%0.33714%0.138SC..THydrogen-bonded Turntrans-91.2-1.9175.868.80000114.2L1092 F1093 A1094 K1139L1092-T1096 PolarHBondContact O-N 3.37Å; F1093-T1096 PolarHBondContact O-N 3.19Å; F1093-T1096 VanDerWaalsContact O-N 3.09Å; F1093-T1096 PolarHBondContact O-OG1 3.44Å; A1094-T1096 PolarHBondContact O-N 3.48Å; T1096-K1139 HydrophobicContact CG2-CD 3.63Å
1097S71.1Confident74.3Confident4 Ų421.4 Ų21.43%0.02813%0.125CC..SBendtrans-69.5154.2179.974.30000111.6F1093 A1094 N1099 C1102 Q1103F1093-S1097 PolarHBondContact O-N 3.32Å; A1094-S1097 VanDerWaalsContact O-CB 3.32Å; A1094-S1097 WeakPolarHBondContact O-CB 3.34Å; A1094-S1097 PolarHBondContact O-N 3.03Å; A1094-S1097 VanDerWaalsContact O-N 3.17Å; A1094-S1097 PolarHBondContact O-OG 3.08Å; S1097-N1099 PolarHBondContact O-N 2.81Å; S1097-N1099 PolarHBondContact OG-O 3.31Å; S1097-C1102 VanDerWaalsContact OG-CB 3.31Å; S1097-C1102 WeakPolarHBondContact OG-CB 3.26Å; S1097-C1102 PolarHBondContact OG-SG 3.19Å; S1097-Q1103 WeakPolarHBondContact O-CG 3.32Å; S1097-Q1103 PolarHBondContact O-NE2 2.76Å
1098S68.1Low74.2Confident90 Ų9025.5 Ų25.563%0.62914%0.143SC*.SBendtrans-75.31.217361.80000113.9
1099N73.6Confident74.2Confident49 Ų4925.4 Ų25.426%0.26214%0.142SC..  trans-108.9118-176.1-178.7-49.6000110.6N1061 S1097 H1101 C1102 Q1103N1061-N1099 HydrophobicContact CB-CB 4.09Å; N1061-N1099 VanDerWaalsContact ND2-CB 3.3Å; N1061-N1099 WeakPolarHBondContact ND2-CB 3.5Å; S1097-N1099 PolarHBondContact O-N 2.81Å; S1097-N1099 PolarHBondContact OG-O 3.31Å; N1099-H1101 VanDerWaalsContact C-N 3.29Å; N1099-H1101 PolarHBondContact O-N 3.46Å; N1099-H1101 WeakPolarHBondContact OD1-CB 3.39Å; N1099-H1101 PolarHBondContact OD1-N 2.89Å; N1099-C1102 HydrophobicContact CB-CB 3.99Å; N1099-C1102 WeakPolarHBondContact O-CA 3.29Å; N1099-C1102 WeakPolarHBondContact O-CB 3.11Å; N1099-C1102 PolarHBondContact O-N 2.99Å; N1099-C1102 PolarHBondContact OD1-N 3.3Å; N1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; N1099-Q1103 PolarHBondContact O-N 2.49Å
1100V70.7Confident74.1Confident57 Ų5723.9 Ų23.935%0.34513%0.131SC..Hα-helixtrans-54.6-39.6-177.5-175.90000113.1Q1103 L1104 I1169 L1173V1100-Q1103 PolarHBondContact O-N 3.44Å; V1100-L1104 WeakPolarHBondContact O-CB 3.46Å; V1100-L1104 PolarHBondContact O-N 2.96Å; V1100-I1169 HydrophobicContact CG1-CG2 3.49Å; V1100-I1169 VanDerWaalsContact CG1-CG2 3.49Å; V1100-L1173 HydrophobicContact CG1-CD1 3.38Å
1101H69.4Low73.7Confident67 Ų6724.7 Ų24.731%0.3114%0.137SC..Hα-helixtrans-73-30.9178.8-61.8-69.3000113.3R1065 N1099 A1105R1065-H1101 VanDerWaalsContact CZ-CB 3.47Å; R1065-H1101 VanDerWaalsContact NH1-CB 3.26Å; N1099-H1101 VanDerWaalsContact C-N 3.29Å; N1099-H1101 PolarHBondContact O-N 3.46Å; N1099-H1101 WeakPolarHBondContact OD1-CB 3.39Å; N1099-H1101 PolarHBondContact OD1-N 2.89Å; H1101-A1105 WeakPolarHBondContact O-CB 3.27Å; H1101-A1105 PolarHBondContact O-N 3.29Å
1102C75.8Confident73.3Confident0 Ų027 Ų270%015%0.149CC..Hα-helixtrans-71.2-44.3174.2-175.10000109.5N1061 A1094 S1097 N1099 L1104 A1105 G1106N1061-C1102 HydrophobicContact CB-CB 3.99Å; A1094-C1102 WeakPolarHBondContact CB-O 3.47Å; A1094-C1102 VanDerWaalsContact CB-SG 3.6Å; S1097-C1102 VanDerWaalsContact OG-CB 3.31Å; S1097-C1102 WeakPolarHBondContact OG-CB 3.26Å; S1097-C1102 PolarHBondContact OG-SG 3.19Å; N1099-C1102 HydrophobicContact CB-CB 3.99Å; N1099-C1102 WeakPolarHBondContact O-CA 3.29Å; N1099-C1102 WeakPolarHBondContact O-CB 3.11Å; N1099-C1102 PolarHBondContact O-N 2.99Å; N1099-C1102 PolarHBondContact OD1-N 3.3Å; C1102-L1104 VanDerWaalsContact C-N 3.32Å; C1102-L1104 PolarHBondContact O-N 2.94Å; C1102-A1105 PolarHBondContact O-N 3.24Å; C1102-A1105 VanDerWaalsContact O-N 3.15Å; C1102-G1106 PolarHBondContact O-N 2.9Å
1103Q73.9Confident73Confident9 Ų926.7 Ų26.74%0.04215%0.147CC..Hα-helixtrans-54.8-47.2170.8-64.8169.8-8.800111.7A1094 S1097 N1099 V1100 A1105 G1106 L1107 L1143A1094-Q1103 VanDerWaalsContact O-CA 3.26Å; A1094-Q1103 WeakPolarHBondContact O-CA 3.25Å; A1094-Q1103 PolarHBondContact O-N 3.37Å; S1097-Q1103 WeakPolarHBondContact O-CG 3.32Å; S1097-Q1103 PolarHBondContact O-NE2 2.76Å; N1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; N1099-Q1103 PolarHBondContact O-N 2.49Å; V1100-Q1103 PolarHBondContact O-N 3.44Å; Q1103-A1105 PolarHBondContact O-N 2.96Å; Q1103-G1106 PolarHBondContact O-N 3.33Å; Q1103-L1107 WeakPolarHBondContact O-CB 3.25Å; Q1103-L1107 WeakPolarHBondContact O-CG 3.45Å; Q1103-L1107 PolarHBondContact O-N 3.13Å; Q1103-L1143 HydrophobicContact CG-CD2 4.16Å; Q1103-L1143 VanDerWaalsContact NE2-CD2 3.29Å
1104L71.9Confident72.5Confident22 Ų2226 Ų2612%0.11515%0.145CC..Hα-helixtrans-60.9-42.3177.2-176.270.5000112.2V1100 C1102 K1108 C1172 L1173 I1176V1100-L1104 WeakPolarHBondContact O-CB 3.46Å; V1100-L1104 PolarHBondContact O-N 2.96Å; C1102-L1104 VanDerWaalsContact C-N 3.32Å; C1102-L1104 PolarHBondContact O-N 2.94Å; L1104-K1108 HydrophobicContact CG-CD 4.29Å; L1104-K1108 VanDerWaalsContact O-CB 3.3Å; L1104-K1108 WeakPolarHBondContact O-CB 3.47Å; L1104-K1108 VanDerWaalsContact O-CG 3.23Å; L1104-K1108 WeakPolarHBondContact O-CG 3.23Å; L1104-K1108 PolarHBondContact O-N 3.23Å; L1104-C1172 HydrophobicContact CD1-CB 4.4Å; L1104-L1173 HydrophobicContact CD1-CG 4.34Å; L1104-I1176 HydrophobicContact CD1-CD1 3.45Å; L1104-I1176 VanDerWaalsContact CD1-CD1 3.45Å
1105A72.6Confident71.7Confident3 Ų329.1 Ų29.13%0.02517%0.166CC..Hα-helixtrans-65.8-41177.500000111.9R1065 L1068 H1101 C1102 Q1103 K1108 F1109R1065-A1105 HydrophobicContact CB-CB 4.43Å; R1065-A1105 HydrophobicContact CG-CB 4.07Å; L1068-A1105 HydrophobicContact CB-CB 4.2Å; L1068-A1105 HydrophobicContact CD1-CB 4.26Å; H1101-A1105 WeakPolarHBondContact O-CB 3.27Å; H1101-A1105 PolarHBondContact O-N 3.29Å; C1102-A1105 PolarHBondContact O-N 3.24Å; C1102-A1105 VanDerWaalsContact O-N 3.15Å; Q1103-A1105 PolarHBondContact O-N 2.96Å; A1105-K1108 PolarHBondContact O-N 3.29Å; A1105-F1109 PolarHBondContact O-N 3Å
1106G78.5Confident70.7Confident0 Ų031.3 Ų31.30%018%0.178CC..Hα-helixtrans-58.7-53.2172.300000112.1C1102 Q1103 K1108 F1109 I1110C1102-G1106 PolarHBondContact O-N 2.9Å; Q1103-G1106 PolarHBondContact O-N 3.33Å; G1106-K1108 VanDerWaalsContact C-N 3.32Å; G1106-K1108 PolarHBondContact O-N 2.98Å; G1106-F1109 PolarHBondContact O-N 3.26Å; G1106-I1110 VanDerWaalsContact O-CG1 3.29Å; G1106-I1110 WeakPolarHBondContact O-CG1 3.34Å; G1106-I1110 PolarHBondContact O-N 3.38Å
1107L76.2Confident69.9Low2 Ų234.1 Ų34.11%0.0119%0.191CC..Hα-helixtrans-65.1-33.4179.7-72.4173.4000112.8T1095 Q1103 S1111 L1140 L1143 L1173 I1176 I1177T1095-L1107 HydrophobicContact CG2-CD2 3.79Å; T1095-L1107 HydrophobicContact CG2-CG 3.87Å; Q1103-L1107 WeakPolarHBondContact O-CB 3.25Å; Q1103-L1107 WeakPolarHBondContact O-CG 3.45Å; Q1103-L1107 PolarHBondContact O-N 3.13Å; L1107-S1111 WeakPolarHBondContact O-CA 3.16Å; L1107-S1111 WeakPolarHBondContact O-CB 3.45Å; L1107-S1111 PolarHBondContact O-N 3.07Å; L1107-L1140 HydrophobicContact CD2-CD2 4.35Å; L1107-L1143 HydrophobicContact CD1-CD1 4.35Å; L1107-L1173 HydrophobicContact CD1-CD2 3.72Å; L1107-I1176 HydrophobicContact CB-CG2 3.72Å; L1107-I1177 HydrophobicContact CD1-CG1 4.08Å
1108K74.2Confident69Low88 Ų8834.7 Ų34.738%0.38319%0.193SC..Hα-helixtrans-64.3-48.3173.1-81.8179.8177.5-171.80111.8L1104 A1105 G1106 S1111 I1112 I1176L1104-K1108 HydrophobicContact CG-CD 4.29Å; L1104-K1108 VanDerWaalsContact O-CB 3.3Å; L1104-K1108 WeakPolarHBondContact O-CB 3.47Å; L1104-K1108 VanDerWaalsContact O-CG 3.23Å; L1104-K1108 WeakPolarHBondContact O-CG 3.23Å; L1104-K1108 PolarHBondContact O-N 3.23Å; A1105-K1108 PolarHBondContact O-N 3.29Å; G1106-K1108 VanDerWaalsContact C-N 3.32Å; G1106-K1108 PolarHBondContact O-N 2.98Å; K1108-S1111 PolarHBondContact O-N 3.25Å; K1108-I1112 VanDerWaalsContact O-CG1 3.31Å; K1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; K1108-I1112 PolarHBondContact O-N 2.98Å; K1108-I1176 HydrophobicContact CG-CD1 3.95Å
1109F77.3Confident68Low3 Ų332.4 Ų32.41%0.01318%0.176CC..Hα-helixtrans-62.6-45.6177.8-179.1-101000111.5L1068 T1071 V1072 T1087 I1088 A1091 A1105 G1106 I1112 I1113L1068-F1109 HydrophobicContact CD2-CB 4.08Å; L1068-F1109 HydrophobicContact CD2-CD1 4.07Å; L1068-F1109 HydrophobicContact CD2-CD2 4.45Å; L1068-F1109 HydrophobicContact CD2-CG 3.94Å; T1071-F1109 WeakPolarHBondContact OG1-CE2 3.13Å; V1072-F1109 HydrophobicContact CG2-CB 3.89Å; V1072-F1109 HydrophobicContact CG2-CD2 3.8Å; V1072-F1109 HydrophobicContact CG2-CG 4.36Å; T1087-F1109 VanDerWaalsContact CB-CZ 3.48Å; T1087-F1109 HydrophobicContact CG2-CD1 4.15Å; T1087-F1109 HydrophobicContact CG2-CD2 4.23Å; T1087-F1109 HydrophobicContact CG2-CE1 3.43Å; T1087-F1109 VanDerWaalsContact CG2-CE1 3.43Å; T1087-F1109 HydrophobicContact CG2-CE2 3.59Å; T1087-F1109 HydrophobicContact CG2-CG 4.48Å; T1087-F1109 HydrophobicContact CG2-CZ 3.11Å; I1088-F1109 HydrophobicContact CG1-CE1 4.06Å; A1091-F1109 HydrophobicContact CB-CB 4.35Å; A1091-F1109 HydrophobicContact CB-CD1 3.43Å; A1091-F1109 VanDerWaalsContact CB-CD1 3.43Å; A1091-F1109 HydrophobicContact CB-CE1 4.13Å; A1091-F1109 HydrophobicContact CB-CG 4.28Å; A1105-F1109 PolarHBondContact O-N 3Å; G1106-F1109 PolarHBondContact O-N 3.26Å; F1109-I1112 PolarHBondContact O-N 3.4Å; F1109-I1113 HydrophobicContact CD1-CD1 3.57Å; F1109-I1113 HydrophobicContact CD2-CD1 4.41Å; F1109-I1113 HydrophobicContact CE1-CD1 3.04Å; F1109-I1113 HydrophobicContact CE1-CG1 4.24Å; F1109-I1113 HydrophobicContact CE2-CD1 3.94Å; F1109-I1113 HydrophobicContact CE2-CG1 4.45Å; F1109-I1113 HydrophobicContact CG-CD1 4.26Å; F1109-I1113 HydrophobicContact CZ-CD1 3.24Å; F1109-I1113 HydrophobicContact CZ-CG1 4.18Å; F1109-I1113 WeakPolarHBondContact O-CG1 3.41Å; F1109-I1113 PolarHBondContact O-N 3.07Å
1110I74.4Confident66.9Low11 Ų1136.3 Ų36.36%0.05619%0.19CC..Hα-helixtrans-58.5-52.5173.9-67.6166.7000109.3A1091 L1092 T1095 G1106 I1112 I1113 L1114A1091-I1110 HydrophobicContact CB-CD1 4.43Å; A1091-I1110 HydrophobicContact CB-CG1 4.09Å; L1092-I1110 HydrophobicContact CD2-CD1 4.14Å; T1095-I1110 HydrophobicContact CG2-CD1 3.6Å; G1106-I1110 VanDerWaalsContact O-CG1 3.29Å; G1106-I1110 WeakPolarHBondContact O-CG1 3.34Å; G1106-I1110 PolarHBondContact O-N 3.38Å; I1110-I1112 PolarHBondContact O-N 2.95Å; I1110-I1113 PolarHBondContact O-N 3.27Å; I1110-L1114 HydrophobicContact CG2-CD1 3.71Å; I1110-L1114 HydrophobicContact CG2-CG 3.86Å; I1110-L1114 VanDerWaalsContact O-CB 3.28Å; I1110-L1114 WeakPolarHBondContact O-CB 3.48Å; I1110-L1114 WeakPolarHBondContact O-CG 3.47Å; I1110-L1114 PolarHBondContact O-N 3.26Å
1111S70.4Confident65.8Low17 Ų1739.7 Ų39.712%0.11921%0.206CC..Hα-helixtrans-56.5-37.2-179.6-177.80000113.1L1107 K1108 S1115L1107-S1111 WeakPolarHBondContact O-CA 3.16Å; L1107-S1111 WeakPolarHBondContact O-CB 3.45Å; L1107-S1111 PolarHBondContact O-N 3.07Å; K1108-S1111 PolarHBondContact O-N 3.25Å; S1111-S1115 WeakPolarHBondContact O-CB 3.3Å; S1111-S1115 PolarHBondContact O-N 3.47Å; S1111-S1115 PolarHBondContact O-OG 2.95Å
1112I70.4Confident64.9Low48 Ų4837.8 Ų37.825%0.24620%0.198CC..Hα-helixtrans-72.5-46.6179.4-71.8168.7000110.9V1072 K1108 F1109 I1110 L1114 S1115 D1116V1072-I1112 HydrophobicContact CB-CD1 4.25Å; V1072-I1112 HydrophobicContact CG1-CD1 3.38Å; V1072-I1112 HydrophobicContact CG2-CD1 4Å; K1108-I1112 VanDerWaalsContact O-CG1 3.31Å; K1108-I1112 WeakPolarHBondContact O-CG1 3.3Å; K1108-I1112 PolarHBondContact O-N 2.98Å; F1109-I1112 PolarHBondContact O-N 3.4Å; I1110-I1112 PolarHBondContact O-N 2.95Å; I1112-L1114 PolarHBondContact O-N 2.69Å; I1112-S1115 WeakPolarHBondContact CA-OG 3.35Å; I1112-S1115 PolarHBondContact O-N 2.78Å; I1112-S1115 PolarHBondContact O-OG 2.71Å; I1112-D1116 WeakPolarHBondContact O-CB 3.44Å; I1112-D1116 PolarHBondContact O-N 3.21Å
1113I67.8Low63.7Low4 Ų444.2 Ų44.22%0.02123%0.227CC..Hα-helixtrans-58.2-39.6173.4-69.6170000110.5V1084 I1088 F1109 I1110 T1119 L1124V1084-I1113 HydrophobicContact CG1-CD1 3.94Å; I1088-I1113 HydrophobicContact CD1-CD1 4.15Å; I1088-I1113 HydrophobicContact CG1-CD1 3.91Å; F1109-I1113 HydrophobicContact CD1-CD1 3.57Å; F1109-I1113 HydrophobicContact CD2-CD1 4.41Å; F1109-I1113 HydrophobicContact CE1-CD1 3.04Å; F1109-I1113 HydrophobicContact CE1-CG1 4.24Å; F1109-I1113 HydrophobicContact CE2-CD1 3.94Å; F1109-I1113 HydrophobicContact CE2-CG1 4.45Å; F1109-I1113 HydrophobicContact CG-CD1 4.26Å; F1109-I1113 HydrophobicContact CZ-CD1 3.24Å; F1109-I1113 HydrophobicContact CZ-CG1 4.18Å; F1109-I1113 WeakPolarHBondContact O-CG1 3.41Å; F1109-I1113 PolarHBondContact O-N 3.07Å; I1110-I1113 PolarHBondContact O-N 3.27Å; I1113-T1119 WeakPolarHBondContact O-CG2 3.49Å; I1113-L1124 HydrophobicContact CG2-CD1 4.1Å; I1113-L1124 HydrophobicContact CG2-CD2 3.85Å
1114L65.3Low62.5Low13 Ų1344.2 Ų44.27%0.06823%0.228CC..Hα-helixtrans-78.9-26.5-177.9-63.2-160.8000113.5I1110 I1112 T1119 L1124 N1183 I1184 L1187I1110-L1114 HydrophobicContact CG2-CD1 3.71Å; I1110-L1114 HydrophobicContact CG2-CG 3.86Å; I1110-L1114 VanDerWaalsContact O-CB 3.28Å; I1110-L1114 WeakPolarHBondContact O-CB 3.48Å; I1110-L1114 WeakPolarHBondContact O-CG 3.47Å; I1110-L1114 PolarHBondContact O-N 3.26Å; I1112-L1114 PolarHBondContact O-N 2.69Å; L1114-T1119 HydrophobicContact CD2-CG2 4.27Å; L1114-T1119 WeakPolarHBondContact O-CG2 3.33Å; L1114-L1124 HydrophobicContact CD2-CD1 4.28Å; L1114-N1183 HydrophobicContact CB-CB 3.79Å; L1114-N1183 HydrophobicContact CD1-CB 4.17Å; L1114-N1183 PolarHBondContact O-ND2 2.83Å; L1114-I1184 HydrophobicContact CD1-CG1 3.66Å; L1114-L1187 HydrophobicContact CD1-CD1 3.91Å; L1114-L1187 HydrophobicContact CD2-CD1 3.3Å; L1114-L1187 HydrophobicContact CG-CD1 4.04Å
1115S62.4Low61.4Low65 Ų6547 Ų4746%0.45525%0.248SC..Hα-helixtrans-85.3-39.1179.863.60000112.7S1111 I1112S1111-S1115 WeakPolarHBondContact O-CB 3.3Å; S1111-S1115 PolarHBondContact O-N 3.47Å; S1111-S1115 PolarHBondContact O-OG 2.95Å; I1112-S1115 WeakPolarHBondContact CA-OG 3.35Å; I1112-S1115 PolarHBondContact O-N 2.78Å; I1112-S1115 PolarHBondContact O-OG 2.71Å
1116D53.2Low60.5Low51 Ų5152.7 Ų52.727%0.27328%0.278SS..SBendtrans-80.3154.1-176.6-74.513.8000109.6N1076 I1112 L1118 T1119N1076-D1116 PolarHBondContact ND2-OD2 3.09Å; I1112-D1116 WeakPolarHBondContact O-CB 3.44Å; I1112-D1116 PolarHBondContact O-N 3.21Å; D1116-L1118 HydrophobicContact CB-CD1 4.12Å; D1116-L1118 HydrophobicContact CB-CG 4.39Å; D1116-L1118 PolarHBondContact O-N 3.13Å; D1116-T1119 PolarHBondContact O-N 2.64Å
1117N50.6Low59.4Low113 Ų11353.7 Ų53.760%0.60428%0.283SS*.G310 helixtrans-56.30-179.5-77.8-33000114.7T1119 K1120N1117-T1119 PolarHBondContact O-N 2.89Å; N1117-K1120 PolarHBondContact O-N 3.25Å
1118L51.7Low58.7Low16 Ų1654.6 Ų54.68%0.08429%0.288CS..G310 helixtrans-57.7-27.8170.2-64.2160.8000112.2L1079 D1116 K1120 N1121 F1122L1079-L1118 HydrophobicContact CB-CD1 4.41Å; L1079-L1118 HydrophobicContact CB-CD2 4.44Å; L1079-L1118 HydrophobicContact CD1-CD1 3.77Å; D1116-L1118 HydrophobicContact CB-CD1 4.12Å; D1116-L1118 HydrophobicContact CB-CG 4.39Å; D1116-L1118 PolarHBondContact O-N 3.13Å; L1118-K1120 PolarHBondContact O-N 2.78Å; L1118-N1121 PolarHBondContact O-N 2.89Å; L1118-N1121 VanDerWaalsContact O-N 3.11Å; L1118-F1122 HydrophobicContact CB-CD2 4.22Å; L1118-F1122 HydrophobicContact CB-CE2 4.12Å; L1118-F1122 HydrophobicContact CD2-CE2 3.62Å; L1118-F1122 HydrophobicContact CD2-CZ 4.24Å; L1118-F1122 HydrophobicContact CG-CE2 4.43Å; L1118-F1122 PolarHBondContact O-N 3.18Å
1119T48.9Very low58.2Low42 Ų4253.1 Ų53.126%0.25829%0.289SS..G310 helixtrans-58.7-26.2174.847.90000114.6I1113 L1114 D1116 N1117 L1124 L1187I1113-T1119 WeakPolarHBondContact O-CG2 3.49Å; L1114-T1119 HydrophobicContact CD2-CG2 4.27Å; L1114-T1119 WeakPolarHBondContact O-CG2 3.33Å; D1116-T1119 PolarHBondContact O-N 2.64Å; N1117-T1119 PolarHBondContact O-N 2.89Å; T1119-L1124 HydrophobicContact CG2-CD1 3.73Å; T1119-L1187 HydrophobicContact CG2-CD1 4.32Å; T1119-L1187 HydrophobicContact CG2-CD2 4.26Å
1120K50.1Low57.6Low131 Ų13158.4 Ų58.457%0.5731%0.314SS*.G310 helixtrans-84.8-23.4178.5-68.5-179.4175.8177.10113S203 N1117 L1118S203-K1120 PolarHBondContact O-NZ 2.88Å; N1117-K1120 PolarHBondContact O-N 3.25Å; L1118-K1120 PolarHBondContact O-N 2.78Å
1121N47.7Very low57.2Low128 Ų12863.9 Ų63.968%0.68434%0.343SS*.THydrogen-bonded Turntrans-96.8-26-172-77.4-5.1000113.7L1118L1118-N1121 PolarHBondContact O-N 2.89Å; L1118-N1121 VanDerWaalsContact O-N 3.11Å
1122F49.6Very low56.9Low28 Ų2864.7 Ų64.712%0.12335%0.345CS..SBendtrans-106131.4175.6-54.9-51.8000108.7L1079 E1081 V1084 L1118 L1124 I1127L1079-F1122 WeakPolarHBondContact O-CE2 3.3Å; L1079-F1122 WeakPolarHBondContact O-CZ 3.22Å; E1081-F1122 HydrophobicContact CB-CD1 3.48Å; E1081-F1122 VanDerWaalsContact CB-CD1 3.48Å; E1081-F1122 HydrophobicContact CB-CE1 3.35Å; E1081-F1122 HydrophobicContact CB-CZ 4.33Å; E1081-F1122 HydrophobicContact CG-CD1 3.51Å; E1081-F1122 HydrophobicContact CG-CE1 3.97Å; E1081-F1122 HydrophobicContact CG-CG 4.37Å; V1084-F1122 HydrophobicContact CG2-CD2 4.5Å; V1084-F1122 HydrophobicContact CG2-CE2 4.05Å; L1118-F1122 HydrophobicContact CB-CD2 4.22Å; L1118-F1122 HydrophobicContact CB-CE2 4.12Å; L1118-F1122 HydrophobicContact CD2-CE2 3.62Å; L1118-F1122 HydrophobicContact CD2-CZ 4.24Å; L1118-F1122 HydrophobicContact CG-CE2 4.43Å; L1118-F1122 PolarHBondContact O-N 3.18Å; F1122-L1124 HydrophobicContact CB-CG 4.32Å; F1122-L1124 PolarHBondContact O-N 3.42Å; F1122-I1127 HydrophobicContact CB-CD1 3.93Å
1123E50.9Low56.8Low134 Ų13462.5 Ų62.563%0.62633%0.334SS*.  trans-63.770.8165.8-66.1179.7149.900108.7C1125 N1126E1123-C1125 PolarHBondContact O-N 3.42Å; E1123-N1126 HydrophobicContact CB-CB 4.27Å; E1123-N1126 WeakPolarHBondContact O-CA 3.43Å; E1123-N1126 WeakPolarHBondContact O-CB 3.19Å; E1123-N1126 PolarHBondContact O-N 3.38Å; E1123-N1126 PolarHBondContact OE2-ND2 3.15Å
1124L49.7Very low57Low9 Ų963.9 Ų63.95%0.04734%0.341CS..Hα-helixtrans-57.5-27-175.1-86.6158.5000112.1I1088 I1113 L1114 T1119 F1122 N1126 I1127 I1128 L1187I1088-L1124 HydrophobicContact CD1-CD2 3.6Å; I1113-L1124 HydrophobicContact CG2-CD1 4.1Å; I1113-L1124 HydrophobicContact CG2-CD2 3.85Å; L1114-L1124 HydrophobicContact CD2-CD1 4.28Å; T1119-L1124 HydrophobicContact CG2-CD1 3.73Å; F1122-L1124 HydrophobicContact CB-CG 4.32Å; F1122-L1124 PolarHBondContact O-N 3.42Å; L1124-N1126 PolarHBondContact O-N 2.75Å; L1124-I1127 HydrophobicContact CD2-CD1 3.92Å; L1124-I1127 HydrophobicContact CG-CD1 4.28Å; L1124-I1127 PolarHBondContact O-N 3.28Å; L1124-I1128 PolarHBondContact O-N 3.49Å; L1124-L1187 HydrophobicContact CB-CD2 3.92Å; L1124-L1187 HydrophobicContact CD1-CD2 3.81Å
1125C47.5Very low57.2Low81 Ų8166.6 Ų66.655%0.54736%0.356SS..Hα-helixtrans-56.9-30.3170.8-59.40000112.9E1123 L1187E1123-C1125 PolarHBondContact O-N 3.42Å; C1125-L1187 PolarHBondContact SG-O 3.4Å
1126N54.3Low57.7Low123 Ų12363.7 Ų63.766%0.65834%0.335SS*.Hα-helixtrans-83.1-16.3175.9-68-15.8000112.5E1123 L1124E1123-N1126 HydrophobicContact CB-CB 4.27Å; E1123-N1126 WeakPolarHBondContact O-CA 3.43Å; E1123-N1126 WeakPolarHBondContact O-CB 3.19Å; E1123-N1126 PolarHBondContact O-N 3.38Å; E1123-N1126 PolarHBondContact OE2-ND2 3.15Å; L1124-N1126 PolarHBondContact O-N 2.75Å
1127I54.1Low58.9Low20 Ų2061.3 Ų61.310%0.10332%0.322CS..Hα-helixtrans-90.2-34.1-174.1-46.9179.4000112.2V1084 N1085 I1088 F1122 L1124V1084-I1127 HydrophobicContact CG1-CD1 4.32Å; N1085-I1127 WeakPolarHBondContact OD1-CD1 3.17Å; N1085-I1127 WeakPolarHBondContact OD1-CG1 3.34Å; N1085-I1127 WeakPolarHBondContact OD1-CG2 3.04Å; I1088-I1127 HydrophobicContact CB-CG2 3.97Å; I1088-I1127 HydrophobicContact CD1-CB 4.19Å; I1088-I1127 HydrophobicContact CD1-CD1 4.38Å; I1088-I1127 HydrophobicContact CD1-CG2 3.57Å; I1088-I1127 HydrophobicContact CG1-CG2 4.3Å; I1088-I1127 HydrophobicContact CG2-CG2 3.97Å; F1122-I1127 HydrophobicContact CB-CD1 3.93Å; L1124-I1127 HydrophobicContact CD2-CD1 3.92Å; L1124-I1127 HydrophobicContact CG-CD1 4.28Å; L1124-I1127 PolarHBondContact O-N 3.28Å
1128I62.2Low60.2Low22 Ų2259.9 Ų59.911%0.11331%0.312CS..SBendtrans-105109.5177.6-52.8-179.3000108.4I1088 L1092 L1124 Q1132 A1133 F1188I1088-I1128 HydrophobicContact CG2-CG1 3.93Å; L1092-I1128 HydrophobicContact CD1-CG1 4.18Å; L1092-I1128 HydrophobicContact CD1-CG2 3.98Å; L1124-I1128 PolarHBondContact O-N 3.49Å; I1128-Q1132 HydrophobicContact CG2-CB 3.87Å; I1128-A1133 HydrophobicContact CG2-CB 3.97Å; I1128-F1188 HydrophobicContact CB-CE1 4.33Å; I1128-F1188 HydrophobicContact CD1-CE1 4.04Å; I1128-F1188 HydrophobicContact CD1-CZ 4.26Å; I1128-F1188 HydrophobicContact CG2-CE1 4.16Å; I1128-F1188 HydrophobicContact CG2-CZ 4.39Å
1129S63.5Low61.1Low57 Ų5762 Ų6240%0.39932%0.32SS..  trans-60.6150.417560.60000111.8N1131 Q1132 A1133S1129-N1131 PolarHBondContact O-N 2.94Å; S1129-Q1132 VanDerWaalsContact N-OE1 3.1Å; S1129-Q1132 WeakPolarHBondContact O-CA 3.46Å; S1129-Q1132 WeakPolarHBondContact O-CB 3.45Å; S1129-Q1132 PolarHBondContact O-N 2.88Å; S1129-Q1132 VanDerWaalsContact OG-CD 3.25Å; S1129-Q1132 WeakPolarHBondContact OG-CG 3.47Å; S1129-Q1132 PolarHBondContact OG-N 3.41Å; S1129-Q1132 PolarHBondContact OG-OE1 3.48Å; S1129-A1133 PolarHBondContact O-N 3.41Å
1130E64.2Low62.4Low114 Ų11460 Ų6053%0.53331%0.308SS..Hα-helixtrans-51-43.3178-72.5-173165.900112.1Q1132 A1133 D1134 L1192E1130-Q1132 VanDerWaalsContact C-N 3.32Å; E1130-Q1132 PolarHBondContact O-N 3.23Å; E1130-A1133 PolarHBondContact O-N 2.77Å; E1130-A1133 VanDerWaalsContact O-N 3.15Å; E1130-D1134 WeakPolarHBondContact O-CB 3.22Å; E1130-D1134 PolarHBondContact O-N 3.3Å; E1130-L1192 HydrophobicContact CB-CD1 4.42Å
1131N66.1Low63.5Low125 Ų12554.7 Ų54.767%0.66829%0.288SS*.Hα-helixtrans-59.6-38.9176.4-67.8-22.3000113S1129 D1135S1129-N1131 PolarHBondContact O-N 2.94Å; N1131-D1135 VanDerWaalsContact O-CB 3.3Å; N1131-D1135 WeakPolarHBondContact O-CB 3.29Å; N1131-D1135 PolarHBondContact O-N 2.88Å
1132Q64.8Low64.5Low35 Ų3554 Ų5416%0.16428%0.279CS..Hα-helixtrans-73-33.5177.6-75170.3-44.600112.1L1092 I1128 S1129 E1130 L1136L1092-Q1132 HydrophobicContact CD1-CB 4.1Å; L1092-Q1132 HydrophobicContact CD1-CG 4.41Å; I1128-Q1132 HydrophobicContact CG2-CB 3.87Å; S1129-Q1132 VanDerWaalsContact N-OE1 3.1Å; S1129-Q1132 WeakPolarHBondContact O-CA 3.46Å; S1129-Q1132 WeakPolarHBondContact O-CB 3.45Å; S1129-Q1132 PolarHBondContact O-N 2.88Å; S1129-Q1132 VanDerWaalsContact OG-CD 3.25Å; S1129-Q1132 WeakPolarHBondContact OG-CG 3.47Å; S1129-Q1132 PolarHBondContact OG-N 3.41Å; S1129-Q1132 PolarHBondContact OG-OE1 3.48Å; E1130-Q1132 VanDerWaalsContact C-N 3.32Å; E1130-Q1132 PolarHBondContact O-N 3.23Å; Q1132-L1136 WeakPolarHBondContact O-CB 3.39Å; Q1132-L1136 PolarHBondContact O-N 3.25Å
1133A68.9Low65.2Low2 Ų253.7 Ų53.72%0.01728%0.278CS..Hα-helixtrans-70.9-44.1175.700000111I1128 S1129 E1130 L1136 L1137 F1188 L1192I1128-A1133 HydrophobicContact CG2-CB 3.97Å; S1129-A1133 PolarHBondContact O-N 3.41Å; E1130-A1133 PolarHBondContact O-N 2.77Å; E1130-A1133 VanDerWaalsContact O-N 3.15Å; A1133-L1136 PolarHBondContact O-N 3.35Å; A1133-L1137 WeakPolarHBondContact O-CG 3.49Å; A1133-L1137 PolarHBondContact O-N 3.15Å; A1133-F1188 HydrophobicContact CB-CD1 4.06Å; A1133-F1188 HydrophobicContact CB-CD2 4.27Å; A1133-F1188 HydrophobicContact CB-CE1 3.7Å; A1133-F1188 HydrophobicContact CB-CE2 3.92Å; A1133-F1188 HydrophobicContact CB-CG 4.35Å; A1133-F1188 HydrophobicContact CB-CZ 3.63Å; A1133-L1192 HydrophobicContact CB-CD1 4.38Å; A1133-L1192 HydrophobicContact CB-CD2 3.43Å; A1133-L1192 VanDerWaalsContact CB-CD2 3.43Å
1134D71.4Confident65.8Low32 Ų3248.3 Ų48.317%0.17125%0.253CS..Hα-helixtrans-56.2-50.5170.7-83.1-25.9000110.3E1130 L1136 L1137 E1138 L1192 H1196E1130-D1134 WeakPolarHBondContact O-CB 3.22Å; E1130-D1134 PolarHBondContact O-N 3.3Å; D1134-L1136 VanDerWaalsContact C-N 3.32Å; D1134-L1136 PolarHBondContact O-N 2.8Å; D1134-L1137 PolarHBondContact O-N 2.91Å; D1134-E1138 VanDerWaalsContact O-CB 3.31Å; D1134-E1138 WeakPolarHBondContact O-CB 3.46Å; D1134-E1138 PolarHBondContact O-N 3.37Å; D1134-L1192 HydrophobicContact CB-CD1 4.49Å; D1134-L1192 WeakPolarHBondContact OD1-CD1 3.12Å; D1134-H1196 IonicContact OD1-CD2 3.78Å; D1134-H1196 IonicContact OD1-NE2 3.86Å; D1134-H1196 PolarHBondContact OD1-NE2 3.01Å
1135D69.1Low66Low70 Ų7052.9 Ų52.937%0.37427%0.274SS..Hα-helixtrans-56.9-42.7177.7-101.1-38.7000112.7N1131 K1139N1131-D1135 VanDerWaalsContact O-CB 3.3Å; N1131-D1135 WeakPolarHBondContact O-CB 3.29Å; N1131-D1135 PolarHBondContact O-N 2.88Å; D1135-K1139 VanDerWaalsContact O-CB 3.29Å; D1135-K1139 WeakPolarHBondContact O-CB 3.13Å; D1135-K1139 WeakPolarHBondContact O-CD 3.47Å; D1135-K1139 VanDerWaalsContact O-CG 3.26Å; D1135-K1139 WeakPolarHBondContact O-CG 3.48Å; D1135-K1139 PolarHBondContact O-N 3.09Å; D1135-K1139 IonicContact OD1-NZ 2.79Å; D1135-K1139 PolarHBondContact OD1-NZ 3.27Å; D1135-K1139 IonicContact OD2-NZ 2.63Å
1136L74.3Confident66.1Low5 Ų554.7 Ų54.73%0.02627%0.273CS..Hα-helixtrans-64.6-53.4178.4-179.769.8000110L1092 T1095 Q1132 A1133 D1134 E1138 K1139 L1140 I1184 F1188L1092-L1136 HydrophobicContact CD2-CD1 4.49Å; L1092-L1136 HydrophobicContact CD2-CD2 4.16Å; T1095-L1136 HydrophobicContact CG2-CD1 4.09Å; T1095-L1136 WeakPolarHBondContact OG1-CD1 3.36Å; Q1132-L1136 WeakPolarHBondContact O-CB 3.39Å; Q1132-L1136 PolarHBondContact O-N 3.25Å; A1133-L1136 PolarHBondContact O-N 3.35Å; D1134-L1136 VanDerWaalsContact C-N 3.32Å; D1134-L1136 PolarHBondContact O-N 2.8Å; L1136-E1138 PolarHBondContact O-N 3.05Å; L1136-K1139 PolarHBondContact O-N 3.3Å; L1136-L1140 HydrophobicContact CG-CG 4.48Å; L1136-L1140 WeakPolarHBondContact O-CG 3.39Å; L1136-L1140 PolarHBondContact O-N 2.84Å; L1136-I1184 HydrophobicContact CD2-CD1 4.24Å; L1136-F1188 HydrophobicContact CD2-CE2 4.43Å; L1136-F1188 HydrophobicContact CD2-CZ 4.3Å
1137L76.6Confident65.6Low0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-65.5-35.2-176.9-67.5177.8000112.7A1133 D1134 K1139 L1140 P1141 I1184 F1188 L1192 H1196 I1201 W1227A1133-L1137 WeakPolarHBondContact O-CG 3.49Å; A1133-L1137 PolarHBondContact O-N 3.15Å; D1134-L1137 PolarHBondContact O-N 2.91Å; L1137-K1139 VanDerWaalsContact C-N 3.34Å; L1137-L1140 HydrophobicContact CD2-CD1 4.22Å; L1137-P1141 WeakPolarHBondContact O-CD 3.47Å; L1137-I1184 HydrophobicContact CD2-CG2 3.98Å; L1137-F1188 HydrophobicContact CD1-CD2 3.96Å; L1137-F1188 HydrophobicContact CD1-CE2 4.29Å; L1137-F1188 HydrophobicContact CD2-CD2 4.42Å; L1137-F1188 HydrophobicContact CD2-CE2 4.27Å; L1137-F1188 HydrophobicContact CG-CD2 4.31Å; L1137-F1188 HydrophobicContact CG-CE2 4.16Å; L1137-L1192 HydrophobicContact CD1-CD2 3.7Å; L1137-L1192 HydrophobicContact CD1-CG 4.29Å; L1137-H1196 HydrophobicContact CB-CB 4Å; L1137-H1196 HydrophobicContact CD1-CB 3.98Å; L1137-I1201 HydrophobicContact CB-CD1 4.48Å; L1137-I1201 HydrophobicContact CD2-CD1 3.94Å; L1137-I1201 HydrophobicContact CD2-CG1 4.35Å; L1137-W1227 HydrophobicContact CD2-CH2 4.07Å
1138E78Confident64.7Low83 Ų8359 Ų5939%0.38830%0.302SS..Hα-helixtrans-68.8-32.2175.1-157.8-152.2124.100112.4D1134 L1136 K1142D1134-E1138 VanDerWaalsContact O-CB 3.31Å; D1134-E1138 WeakPolarHBondContact O-CB 3.46Å; D1134-E1138 PolarHBondContact O-N 3.37Å; L1136-E1138 PolarHBondContact O-N 3.05Å; E1138-K1142 IonicContact OE1-NZ 3.62Å; E1138-K1142 PolarHBondContact OE1-NZ 3.46Å
1139K71.4Confident63.3Low60 Ų6062.2 Ų62.226%0.26133%0.327SS..Hα-helixtrans-92.2-23.1-175.3-71.2170-172.9148.90113.7T1096 D1135 L1136 L1137 P1141 K1142 L1143T1096-K1139 HydrophobicContact CG2-CD 3.63Å; D1135-K1139 VanDerWaalsContact O-CB 3.29Å; D1135-K1139 WeakPolarHBondContact O-CB 3.13Å; D1135-K1139 WeakPolarHBondContact O-CD 3.47Å; D1135-K1139 VanDerWaalsContact O-CG 3.26Å; D1135-K1139 WeakPolarHBondContact O-CG 3.48Å; D1135-K1139 PolarHBondContact O-N 3.09Å; D1135-K1139 IonicContact OD1-NZ 2.79Å; D1135-K1139 PolarHBondContact OD1-NZ 3.27Å; D1135-K1139 IonicContact OD2-NZ 2.63Å; L1136-K1139 PolarHBondContact O-N 3.3Å; L1137-K1139 VanDerWaalsContact C-N 3.34Å; K1139-P1141 VanDerWaalsContact C-CD 3.5Å; K1139-P1141 VanDerWaalsContact C-N 3.32Å; K1139-K1142 WeakPolarHBondContact O-CA 3.33Å; K1139-K1142 WeakPolarHBondContact O-CB 3.43Å; K1139-K1142 PolarHBondContact O-N 2.84Å; K1139-L1143 PolarHBondContact O-N 3.31Å
1140L77.3Confident61.8Low0 Ų064.6 Ų64.60%034%0.335CS..THydrogen-bonded Turntrans-49.2-44.7178-81.2175000113.4L1107 L1136 L1137 K1142 L1143 I1177 L1181 I1184 I1201 L1204L1107-L1140 HydrophobicContact CD2-CD2 4.35Å; L1136-L1140 HydrophobicContact CG-CG 4.48Å; L1136-L1140 WeakPolarHBondContact O-CG 3.39Å; L1136-L1140 PolarHBondContact O-N 2.84Å; L1137-L1140 HydrophobicContact CD2-CD1 4.22Å; L1140-K1142 VanDerWaalsContact C-N 3.33Å; L1140-K1142 PolarHBondContact O-N 3.13Å; L1140-L1143 HydrophobicContact CD2-CD1 4.05Å; L1140-L1143 WeakPolarHBondContact O-CB 3.49Å; L1140-L1143 PolarHBondContact O-N 3.35Å; L1140-I1177 HydrophobicContact CD2-CG1 4.29Å; L1140-I1177 HydrophobicContact CD2-CG2 4.46Å; L1140-L1181 HydrophobicContact CD1-CD2 3.78Å; L1140-I1184 HydrophobicContact CD1-CD1 4.39Å; L1140-I1201 HydrophobicContact CD1-CD1 4.44Å; L1140-L1204 HydrophobicContact CB-CD2 4.16Å
1141P72.9Confident60.3Low21 Ų2168.3 Ų68.314%0.13635%0.352CS..G310 helixtrans-64.6-35.1177.1-22.133.6000113.9L1137 K1139 L1143 I1144 N1200 L1204L1137-P1141 WeakPolarHBondContact O-CD 3.47Å; K1139-P1141 VanDerWaalsContact C-CD 3.5Å; K1139-P1141 VanDerWaalsContact C-N 3.32Å; P1141-L1143 PolarHBondContact O-N 2.87Å; P1141-I1144 PolarHBondContact O-N 3.18Å; P1141-N1200 HydrophobicContact CG-CB 4.02Å; P1141-N1200 VanDerWaalsContact CG-O 3.32Å; P1141-N1200 WeakPolarHBondContact CG-O 3.29Å; P1141-L1204 HydrophobicContact CB-CD1 4.1Å; P1141-L1204 HydrophobicContact CG-CB 4.39Å; P1141-L1204 HydrophobicContact CG-CD2 4.18Å
1142K67.9Low58.6Low114 Ų11470.4 Ų70.450%0.49636%0.358SS..G310 helixtrans-65-23.8178.2-61.1173.4-174.4158.80111.7E1138 K1139 L1140 I1144 F1146E1138-K1142 IonicContact OE1-NZ 3.62Å; E1138-K1142 PolarHBondContact OE1-NZ 3.46Å; K1139-K1142 WeakPolarHBondContact O-CA 3.33Å; K1139-K1142 WeakPolarHBondContact O-CB 3.43Å; K1139-K1142 PolarHBondContact O-N 2.84Å; L1140-K1142 VanDerWaalsContact C-N 3.33Å; L1140-K1142 PolarHBondContact O-N 3.13Å; K1142-I1144 VanDerWaalsContact C-N 3.29Å; K1142-I1144 PolarHBondContact O-N 3.45Å; K1142-F1146 WeakPolarHBondContact O-CD2 3.25Å
1143L64.9Low56.7Low20 Ų2075.1 Ų75.111%0.10539%0.385CS..G310 helixtrans-70.7-22.1177.9-60.4176.5000113.3Q1103 L1107 K1139 L1140 P1141 I1177Q1103-L1143 HydrophobicContact CG-CD2 4.16Å; Q1103-L1143 VanDerWaalsContact NE2-CD2 3.29Å; L1107-L1143 HydrophobicContact CD1-CD1 4.35Å; K1139-L1143 PolarHBondContact O-N 3.31Å; L1140-L1143 HydrophobicContact CD2-CD1 4.05Å; L1140-L1143 WeakPolarHBondContact O-CB 3.49Å; L1140-L1143 PolarHBondContact O-N 3.35Å; P1141-L1143 PolarHBondContact O-N 2.87Å; L1143-I1177 HydrophobicContact CB-CD1 4.15Å
1144I63.6Low54.6Low22 Ų2281.2 Ų81.211%0.11342%0.417CS..THydrogen-bonded Turntrans-91.6-32.5-177.1-51.8-157.6000112P1141 K1142 F1146 S1147 R1174 I1177 L1204 L1208P1141-I1144 PolarHBondContact O-N 3.18Å; K1142-I1144 VanDerWaalsContact C-N 3.29Å; K1142-I1144 PolarHBondContact O-N 3.45Å; I1144-F1146 PolarHBondContact O-N 3.26Å; I1144-F1146 VanDerWaalsContact O-N 3.15Å; I1144-S1147 PolarHBondContact O-OG 2.85Å; I1144-R1174 HydrophobicContact CD1-CG 4.44Å; I1144-R1174 HydrophobicContact CG2-CG 4.41Å; I1144-I1177 HydrophobicContact CD1-CD1 4.05Å; I1144-I1177 HydrophobicContact CD1-CG2 4.4Å; I1144-I1177 HydrophobicContact CG1-CD1 3.9Å; I1144-L1204 HydrophobicContact CB-CD1 4.19Å; I1144-L1204 HydrophobicContact CD1-CD1 3.27Å; I1144-L1204 HydrophobicContact CD1-CD2 4.36Å; I1144-L1204 HydrophobicContact CD1-CG 3.99Å; I1144-L1204 HydrophobicContact CG1-CD1 3.73Å; I1144-L1208 HydrophobicContact CD1-CD1 3.77Å; I1144-L1208 HydrophobicContact CD1-CD2 3.74Å; I1144-L1208 HydrophobicContact CD1-CG 3.87Å
1145H52.9Low52.3Low104 Ų10486.7 Ų86.748%0.48145%0.446SS..G310 helixtrans-75.76.3-177.5-77.8-54.2000115.7S1147 Q1207H1145-S1147 PolarHBondContact O-N 3.09Å; H1145-Q1207 PolarHBondContact CE1-NE2 3.35Å; H1145-Q1207 PolarHBondContact CE1-OE1 2.91Å; H1145-Q1207 PolarHBondContact NE2-NE2 3.41Å; H1145-Q1207 VanDerWaalsContact NE2-NE2 3.2Å; H1145-Q1207 PolarHBondContact NE2-OE1 3.39Å
1146F49Very low50.3Low119 Ų11989.9 Ų89.952%0.52247%0.468SS..G310 helixtrans-65.56.6166.3-82.3-78000113.9K1142 I1144K1142-F1146 WeakPolarHBondContact O-CD2 3.25Å; I1144-F1146 PolarHBondContact O-N 3.26Å; I1144-F1146 VanDerWaalsContact O-N 3.15Å
1147S44.7Very low48.1Very low79 Ų7995.8 Ų95.855%0.55250%0.504SS*.G310 helixtrans-87.2-7.7178.850.10000116I1144 H1145I1144-S1147 PolarHBondContact O-OG 2.85Å; H1145-S1147 PolarHBondContact O-N 3.09Å
1148N35.7Very low45.5Very low154 Ų154103.5 Ų103.582%0.82454%0.542SS*.THydrogen-bonded Turntrans-140.3-5.7-177.7-87.3-21.8000119.1
1149S32.9Very low43.2Very low91 Ų91108.4 Ų108.464%0.63656%0.563SS**SBendtrans-116.3-9.2-172.749.70000118
1150D31.8Very low41Very low107 Ų107113.4 Ų113.457%0.57259%0.592SS**  trans-103.641.4176.6-76.3-34.2000113.2
1151Q31.6Very low38.6Very low191 Ų191120.1 Ų120.189%0.89362%0.624SS**SBendtrans-77.1-2.3163.6-85.9-164.1-13.600113.6
1152E31.3Very low36.5Very low169 Ų169120.5 Ų120.579%0.7963%0.631SS**SBendtrans-125.515-173.1-74.5-164.815700117.1
1153N25Very low34.5Very low135 Ų135121.6 Ų121.672%0.72264%0.643SS**  trans-130.481.7171.3-81.8-43.4000114.3
1154N24.8Very low32.9Very low130 Ų130128.2 Ų128.270%0.69567%0.673SS**  trans46.3122.5130.7-66.6-16.9000121.6
1155D23.4Very low31.7Very low147 Ų147132.3 Ų132.379%0.78669%0.692SS**  47.593.2129.4-62.1-23.6000118.6
1156T26.6Very low31.4Very low137 Ų137132.2 Ų132.284%0.8470%0.695SS**  trans-160.1114.8142.38.90000112.1
1157V28.7Very low31.2Very low128 Ų128131.5 Ų131.578%0.77670%0.695SS**  trans6983.8161.2-162.20000117.8F1159V1157-F1159 PolarHBondContact O-N 2.9Å
1158M21.5Very low31.9Very low163 Ų163132.8 Ų132.880%0.80370%0.696SS**  trans-18.2100.3150.2-63.4-73.118000116.4
1159F28.7Very low33.1Very low186 Ų186126.7 Ų126.782%0.81666%0.663SS**  trans-145.3107142.1-87-76.8000107.4V1157 Q1161V1157-F1159 PolarHBondContact O-N 2.9Å; F1159-Q1161 PolarHBondContact O-N 3.01Å
1160D25.7Very low34.6Very low165 Ų165124.6 Ų124.688%0.88265%0.649SS**THydrogen-bonded Turntrans-68.549.8-178-83.1-32.8000114
1161Q27.3Very low36.4Very low140 Ų140120.4 Ų120.465%0.65463%0.627SS**THydrogen-bonded Turntrans-119.79162.8-67.3-173.7-6.700111.8F1159 N1163F1159-Q1161 PolarHBondContact O-N 3.01Å; Q1161-N1163 VanDerWaalsContact C-N 3.34Å; Q1161-N1163 PolarHBondContact O-N 3.31Å
1162G28.8Very low38.2Very low29 Ų29114.1 Ų114.130%0.29960%0.603SS.*Hα-helixtrans-64-26.7-168.200000115.6N1166G1162-N1166 WeakPolarHBondContact O-CB 3.25Å; G1162-N1166 PolarHBondContact O-N 3.45Å; G1162-N1166 VanDerWaalsContact O-N 3.09Å; G1162-N1166 PolarHBondContact O-ND2 2.92Å
1163N26.5Very low40.3Very low138 Ų138106.6 Ų106.674%0.73857%0.568SS**Hα-helixtrans-72.6-48.3-176.2-74.4-10.3000112.5Q1161 I1167Q1161-N1163 VanDerWaalsContact C-N 3.34Å; Q1161-N1163 PolarHBondContact O-N 3.31Å; N1163-I1167 WeakPolarHBondContact O-CB 2.95Å; N1163-I1167 VanDerWaalsContact O-CD1 3.27Å; N1163-I1167 WeakPolarHBondContact O-CD1 3.46Å; N1163-I1167 WeakPolarHBondContact O-CG1 3.48Å; N1163-I1167 PolarHBondContact O-N 3.19Å; N1163-I1167 VanDerWaalsContact O-N 3.09Å
1164E29.9Very low42.9Very low158 Ų158102 Ų10274%0.73854%0.541SS*.Hα-helixtrans-73.2-39.6-179.3-76.9-172163.900112.8I1167 N1168E1164-I1167 PolarHBondContact O-N 3.05Å; E1164-N1168 WeakPolarHBondContact O-CB 3.07Å; E1164-N1168 PolarHBondContact O-N 3.36Å
1165Q39.8Very low45.4Very low109 Ų10997.6 Ų97.651%0.50952%0.517SS..Hα-helixtrans-65.4-41.9176.8-72-172.34.800111.5N1168 I1169Q1165-N1168 PolarHBondContact O-N 3.25Å; Q1165-I1169 WeakPolarHBondContact O-CB 3.2Å; Q1165-I1169 WeakPolarHBondContact O-CD1 3.18Å; Q1165-I1169 WeakPolarHBondContact O-CG1 3.16Å; Q1165-I1169 PolarHBondContact O-N 3.22Å
1166N44.8Very low47.8Very low101 Ų10191.6 Ų91.654%0.5449%0.485SS..Hα-helixtrans-67.3-37.9176.8-74.5-19.9000112.4G1162 I1169 S1170G1162-N1166 WeakPolarHBondContact O-CB 3.25Å; G1162-N1166 PolarHBondContact O-N 3.45Å; G1162-N1166 VanDerWaalsContact O-N 3.09Å; G1162-N1166 PolarHBondContact O-ND2 2.92Å; N1166-I1169 PolarHBondContact O-N 3.41Å; N1166-S1170 VanDerWaalsContact O-CB 3.3Å; N1166-S1170 WeakPolarHBondContact O-CB 3.05Å; N1166-S1170 PolarHBondContact O-N 3.39Å
1167I46Very low50.3Low104 Ų10485.1 Ų85.153%0.53345%0.445SS..Hα-helixtrans-61.9-44.1174-69.3163.6000110.5N1163 E1164 T1171N1163-I1167 WeakPolarHBondContact O-CB 2.95Å; N1163-I1167 VanDerWaalsContact O-CD1 3.27Å; N1163-I1167 WeakPolarHBondContact O-CD1 3.46Å; N1163-I1167 WeakPolarHBondContact O-CG1 3.48Å; N1163-I1167 PolarHBondContact O-N 3.19Å; N1163-I1167 VanDerWaalsContact O-N 3.09Å; E1164-I1167 PolarHBondContact O-N 3.05Å; I1167-T1171 WeakPolarHBondContact O-CB 3.48Å; I1167-T1171 PolarHBondContact O-N 2.91Å; I1167-T1171 PolarHBondContact O-OG1 3.42Å
1168N59.3Low52.7Low107 Ų10779 Ų7957%0.57241%0.408SS*.Hα-helixtrans-66.8-40.6177.7-86.7-22.2000112.5E1164 Q1165 T1171 C1172E1164-N1168 WeakPolarHBondContact O-CB 3.07Å; E1164-N1168 PolarHBondContact O-N 3.36Å; Q1165-N1168 PolarHBondContact O-N 3.25Å; N1168-T1171 PolarHBondContact O-N 2.88Å; N1168-C1172 WeakPolarHBondContact O-CB 3.2Å; N1168-C1172 PolarHBondContact O-N 3.34Å; N1168-C1172 PolarHBondContact O-SG 2.87Å
1169I60.1Low55.3Low26 Ų2676.7 Ų76.713%0.13339%0.39CS..Hα-helixtrans-65.2-45.3176.8-67.8160.2000110.7V1100 Q1165 N1166 T1171 C1172 L1173V1100-I1169 HydrophobicContact CG1-CG2 3.49Å; V1100-I1169 VanDerWaalsContact CG1-CG2 3.49Å; Q1165-I1169 WeakPolarHBondContact O-CB 3.2Å; Q1165-I1169 WeakPolarHBondContact O-CD1 3.18Å; Q1165-I1169 WeakPolarHBondContact O-CG1 3.16Å; Q1165-I1169 PolarHBondContact O-N 3.22Å; N1166-I1169 PolarHBondContact O-N 3.41Å; I1169-T1171 VanDerWaalsContact C-N 3.29Å; I1169-T1171 PolarHBondContact O-N 3Å; I1169-C1172 PolarHBondContact O-N 3.27Å; I1169-L1173 HydrophobicContact CG2-CD1 3.83Å; I1169-L1173 WeakPolarHBondContact O-CB 3.25Å; I1169-L1173 PolarHBondContact O-N 2.85Å
1170S64.9Low57.5Low47 Ų4767.9 Ų67.933%0.32935%0.352SS..Hα-helixtrans-60-40.6176173.30000111.5N1166 L1173 R1174N1166-S1170 VanDerWaalsContact O-CB 3.3Å; N1166-S1170 WeakPolarHBondContact O-CB 3.05Å; N1166-S1170 PolarHBondContact O-N 3.39Å; S1170-L1173 PolarHBondContact O-N 3.39Å; S1170-R1174 VanDerWaalsContact O-CG 3.3Å; S1170-R1174 WeakPolarHBondContact O-CG 3.42Å; S1170-R1174 PolarHBondContact O-N 3.03Å; S1170-R1174 PolarHBondContact O-NE 3.02Å
1171T69.9Low60.1Low19 Ų1960 Ų6012%0.11731%0.31CS..Hα-helixtrans-67.6-41.4175.5-51.70000112I1167 N1168 I1169 L1173 R1174 L1175 N1213 V1216I1167-T1171 WeakPolarHBondContact O-CB 3.48Å; I1167-T1171 PolarHBondContact O-N 2.91Å; I1167-T1171 PolarHBondContact O-OG1 3.42Å; N1168-T1171 PolarHBondContact O-N 2.88Å; I1169-T1171 VanDerWaalsContact C-N 3.29Å; I1169-T1171 PolarHBondContact O-N 3Å; T1171-L1173 VanDerWaalsContact C-N 3.34Å; T1171-L1173 PolarHBondContact O-N 2.84Å; T1171-R1174 PolarHBondContact O-N 2.74Å; T1171-R1174 PolarHBondContact OG1-NH2 3.36Å; T1171-L1175 WeakPolarHBondContact O-CB 3.29Å; T1171-L1175 PolarHBondContact O-N 3.48Å; T1171-N1213 HydrophobicContact CG2-CB 4.04Å; T1171-N1213 WeakPolarHBondContact CG2-ND2 3.49Å; T1171-V1216 HydrophobicContact CG2-CG2 4.26Å
1172C68.4Low62.3Low58 Ų5853.8 Ų53.839%0.39228%0.281SS..Hα-helixtrans-63-39.9174.1-71.40000111.9L1104 N1168 I1169 L1175 I1176L1104-C1172 HydrophobicContact CD1-CB 4.4Å; N1168-C1172 WeakPolarHBondContact O-CB 3.2Å; N1168-C1172 PolarHBondContact O-N 3.34Å; N1168-C1172 PolarHBondContact O-SG 2.87Å; I1169-C1172 PolarHBondContact O-N 3.27Å; C1172-L1175 PolarHBondContact O-N 2.68Å; C1172-I1176 WeakPolarHBondContact O-CB 3.38Å; C1172-I1176 WeakPolarHBondContact O-CD1 3.45Å; C1172-I1176 WeakPolarHBondContact O-CG1 3.39Å; C1172-I1176 PolarHBondContact O-N 2.98Å
1173L75.6Confident64.4Low11 Ų1153.9 Ų53.96%0.05828%0.275CS..Hα-helixtrans-61.2-51.5174.7-86.9153.5000110.9V1100 L1104 L1107 I1169 S1170 T1171 L1175 I1176 I1177V1100-L1173 HydrophobicContact CG1-CD1 3.38Å; L1104-L1173 HydrophobicContact CD1-CG 4.34Å; L1107-L1173 HydrophobicContact CD1-CD2 3.72Å; I1169-L1173 HydrophobicContact CG2-CD1 3.83Å; I1169-L1173 WeakPolarHBondContact O-CB 3.25Å; I1169-L1173 PolarHBondContact O-N 2.85Å; S1170-L1173 PolarHBondContact O-N 3.39Å; T1171-L1173 VanDerWaalsContact C-N 3.34Å; T1171-L1173 PolarHBondContact O-N 2.84Å; L1173-L1175 VanDerWaalsContact C-N 3.28Å; L1173-L1175 PolarHBondContact O-N 3.29Å; L1173-I1176 PolarHBondContact O-N 3.05Å; L1173-I1177 WeakPolarHBondContact O-CB 3.49Å; L1173-I1177 WeakPolarHBondContact O-CG1 3.07Å; L1173-I1177 PolarHBondContact O-N 2.87Å
1174R79.9Confident66.6Low39 Ų3947.4 Ų47.415%0.14724%0.241CC..Hα-helixtrans-58.5-40.5177.8-69.7178.4-70.6167.5-1.7112.2I1144 S1170 T1171 A1178 L1208 D1211 V1216I1144-R1174 HydrophobicContact CD1-CG 4.44Å; I1144-R1174 HydrophobicContact CG2-CG 4.41Å; S1170-R1174 VanDerWaalsContact O-CG 3.3Å; S1170-R1174 WeakPolarHBondContact O-CG 3.42Å; S1170-R1174 PolarHBondContact O-N 3.03Å; S1170-R1174 PolarHBondContact O-NE 3.02Å; T1171-R1174 PolarHBondContact O-N 2.74Å; T1171-R1174 PolarHBondContact OG1-NH2 3.36Å; R1174-A1178 WeakPolarHBondContact O-CB 3.41Å; R1174-A1178 PolarHBondContact O-N 2.81Å; R1174-L1208 HydrophobicContact CB-CD2 3.88Å; R1174-L1208 HydrophobicContact CG-CD2 3.91Å; R1174-D1211 VanDerWaalsContact CD-OD2 3.25Å; R1174-D1211 WeakPolarHBondContact CD-OD2 3.3Å; R1174-D1211 IonicContact CZ-OD1 3.69Å; R1174-D1211 IonicContact CZ-OD2 2.81Å; R1174-D1211 IonicContact NE-OD2 2.83Å; R1174-D1211 VanDerWaalsContact NH1-CG 3.3Å; R1174-D1211 IonicContact NH1-OD1 3.73Å; R1174-D1211 PolarHBondContact NH1-OD1 3.24Å; R1174-D1211 IonicContact NH1-OD2 2.76Å; R1174-D1211 PolarHBondContact NH1-OD2 2.95Å; R1174-V1216 HydrophobicContact CB-CG1 3.9Å; R1174-V1216 HydrophobicContact CB-CG2 4.13Å
1175L77.6Confident68.5Low37 Ų3741.2 Ų41.219%0.19421%0.212CC..Hα-helixtrans-66.3-47.5176.2-175.868.3000112.6T1171 C1172 L1173 I1177 A1178 R1179 V1216 E1219T1171-L1175 WeakPolarHBondContact O-CB 3.29Å; T1171-L1175 PolarHBondContact O-N 3.48Å; C1172-L1175 PolarHBondContact O-N 2.68Å; L1173-L1175 VanDerWaalsContact C-N 3.28Å; L1173-L1175 PolarHBondContact O-N 3.29Å; L1175-I1177 VanDerWaalsContact C-N 3.33Å; L1175-A1178 PolarHBondContact O-N 3.14Å; L1175-R1179 WeakPolarHBondContact O-CG 3.49Å; L1175-R1179 PolarHBondContact O-N 3.25Å; L1175-V1216 HydrophobicContact CB-CG2 4.1Å; L1175-V1216 HydrophobicContact CD1-CG2 4.46Å; L1175-E1219 HydrophobicContact CD1-CB 4.49Å; L1175-E1219 HydrophobicContact CD1-CG 3.87Å
1176I73.9Confident69.8Low21 Ų2140.7 Ų40.711%0.10821%0.208CC..Hα-helixtrans-68.6-35.4180-66.9163.7000110.4L1104 L1107 K1108 C1172 L1173 R1179 S1180L1104-I1176 HydrophobicContact CD1-CD1 3.45Å; L1104-I1176 VanDerWaalsContact CD1-CD1 3.45Å; L1107-I1176 HydrophobicContact CB-CG2 3.72Å; K1108-I1176 HydrophobicContact CG-CD1 3.95Å; C1172-I1176 WeakPolarHBondContact O-CB 3.38Å; C1172-I1176 WeakPolarHBondContact O-CD1 3.45Å; C1172-I1176 WeakPolarHBondContact O-CG1 3.39Å; C1172-I1176 PolarHBondContact O-N 2.98Å; L1173-I1176 PolarHBondContact O-N 3.05Å; I1176-R1179 PolarHBondContact O-N 3.4Å; I1176-S1180 VanDerWaalsContact O-CB 3.24Å; I1176-S1180 WeakPolarHBondContact O-CB 3.44Å; I1176-S1180 PolarHBondContact O-N 3.05Å; I1176-S1180 PolarHBondContact O-OG 3.47Å
1177I79.4Confident70.8Confident1 Ų137.3 Ų37.31%0.00519%0.19CC..Hα-helixtrans-60.1-51.8172.7-71.5166.6000109.3L1107 L1140 L1143 I1144 L1173 L1175 R1179 S1180 L1181 L1204 L1208L1107-I1177 HydrophobicContact CD1-CG1 4.08Å; L1140-I1177 HydrophobicContact CD2-CG1 4.29Å; L1140-I1177 HydrophobicContact CD2-CG2 4.46Å; L1143-I1177 HydrophobicContact CB-CD1 4.15Å; I1144-I1177 HydrophobicContact CD1-CD1 4.05Å; I1144-I1177 HydrophobicContact CD1-CG2 4.4Å; I1144-I1177 HydrophobicContact CG1-CD1 3.9Å; L1173-I1177 WeakPolarHBondContact O-CB 3.49Å; L1173-I1177 WeakPolarHBondContact O-CG1 3.07Å; L1173-I1177 PolarHBondContact O-N 2.87Å; L1175-I1177 VanDerWaalsContact C-N 3.33Å; I1177-R1179 VanDerWaalsContact C-N 3.34Å; I1177-R1179 PolarHBondContact O-N 3.03Å; I1177-S1180 WeakPolarHBondContact CA-OG 3.15Å; I1177-S1180 PolarHBondContact O-N 2.91Å; I1177-S1180 PolarHBondContact O-OG 3.28Å; I1177-L1181 HydrophobicContact CG2-CD1 3.87Å; I1177-L1181 HydrophobicContact CG2-CG 4.35Å; I1177-L1181 WeakPolarHBondContact O-CG 3.4Å; I1177-L1181 PolarHBondContact O-N 2.91Å; I1177-L1204 HydrophobicContact CG2-CD2 4.2Å; I1177-L1208 HydrophobicContact CG2-CD1 4.29Å
1178A78.5Confident72Confident0 Ų033.4 Ų33.40%017%0.169CC..Hα-helixtrans-56.5-46.6177.700000112.1R1174 L1175 L1181 C1182 E1219 A1220R1174-A1178 WeakPolarHBondContact O-CB 3.41Å; R1174-A1178 PolarHBondContact O-N 2.81Å; L1175-A1178 PolarHBondContact O-N 3.14Å; A1178-L1181 PolarHBondContact O-N 3.48Å; A1178-C1182 PolarHBondContact O-N 3.48Å; A1178-C1182 VanDerWaalsContact O-N 3.11Å; A1178-C1182 PolarHBondContact O-SG 2.63Å; A1178-E1219 HydrophobicContact CB-CB 3.67Å; A1178-A1220 HydrophobicContact CB-CB 4.4Å
1179R77Confident72.5Confident115 Ų11531.1 Ų31.143%0.43416%0.16SC..Hα-helixtrans-62.8-42.5175.8-76.3-178.4172.5-179.1-0.1113.3L1175 I1176 I1177 L1181 C1182 N1183 E1219L1175-R1179 WeakPolarHBondContact O-CG 3.49Å; L1175-R1179 PolarHBondContact O-N 3.25Å; I1176-R1179 PolarHBondContact O-N 3.4Å; I1177-R1179 VanDerWaalsContact C-N 3.34Å; I1177-R1179 PolarHBondContact O-N 3.03Å; R1179-L1181 VanDerWaalsContact C-N 3.31Å; R1179-L1181 PolarHBondContact O-N 2.98Å; R1179-C1182 WeakPolarHBondContact O-CB 3.37Å; R1179-C1182 PolarHBondContact O-N 3.2Å; R1179-N1183 PolarHBondContact O-N 2.82Å; R1179-E1219 HydrophobicContact CG-CG 4.08Å; R1179-E1219 IonicContact CZ-OE1 3.42Å; R1179-E1219 IonicContact NE-OE1 3.53Å; R1179-E1219 PolarHBondContact NE-OE1 2.68Å; R1179-E1219 IonicContact NH2-OE1 3.96Å; R1179-E1219 PolarHBondContact NH2-OE1 3.32Å
1180S73.8Confident73Confident0 Ų036.6 Ų36.60%019%0.185CC..Hα-helixtrans-63.7-39.7177.270.60000110.8I1176 I1177 C1182 N1183 I1184I1176-S1180 VanDerWaalsContact O-CB 3.24Å; I1176-S1180 WeakPolarHBondContact O-CB 3.44Å; I1176-S1180 PolarHBondContact O-N 3.05Å; I1176-S1180 PolarHBondContact O-OG 3.47Å; I1177-S1180 WeakPolarHBondContact CA-OG 3.15Å; I1177-S1180 PolarHBondContact O-N 2.91Å; I1177-S1180 PolarHBondContact O-OG 3.28Å; S1180-C1182 PolarHBondContact O-N 2.68Å; S1180-N1183 PolarHBondContact O-N 3.33Å; S1180-N1183 VanDerWaalsContact O-N 3.1Å; S1180-I1184 WeakPolarHBondContact O-CB 3.43Å; S1180-I1184 WeakPolarHBondContact O-CD1 3.42Å; S1180-I1184 WeakPolarHBondContact O-CG1 3.31Å; S1180-I1184 PolarHBondContact O-N 3.22Å
1181L79.9Confident73.5Confident0 Ų041 Ų410%020%0.201CC..Hα-helixtrans-66.5-33.2177.7-72.1173.3000113L1140 I1177 A1178 R1179 N1183 I1201 L1204 L1205 A1223 W1227L1140-L1181 HydrophobicContact CD1-CD2 3.78Å; I1177-L1181 HydrophobicContact CG2-CD1 3.87Å; I1177-L1181 HydrophobicContact CG2-CG 4.35Å; I1177-L1181 WeakPolarHBondContact O-CG 3.4Å; I1177-L1181 PolarHBondContact O-N 2.91Å; A1178-L1181 PolarHBondContact O-N 3.48Å; R1179-L1181 VanDerWaalsContact C-N 3.31Å; R1179-L1181 PolarHBondContact O-N 2.98Å; L1181-N1183 PolarHBondContact O-N 3.01Å; L1181-I1201 HydrophobicContact CD1-CG2 4.36Å; L1181-I1201 HydrophobicContact CD2-CD1 4.03Å; L1181-I1201 HydrophobicContact CD2-CG2 3.98Å; L1181-L1204 HydrophobicContact CD1-CD2 4.17Å; L1181-L1205 HydrophobicContact CD1-CD1 4.5Å; L1181-L1205 HydrophobicContact CD1-CD2 3.66Å; L1181-L1205 HydrophobicContact CD1-CG 4.08Å; L1181-A1223 HydrophobicContact CB-CB 4.07Å; L1181-W1227 HydrophobicContact CD2-CZ2 3.9Å; L1181-W1227 PolarHBondContact O-NE1 3.42Å
1182C75.2Confident73.6Confident9 Ų940.3 Ų40.36%0.06120%0.196CC..Hα-helixtrans-59.6-33.2171.3-70.40000112.6A1178 R1179 S1180 I1185 A1223 L1226A1178-C1182 PolarHBondContact O-N 3.48Å; A1178-C1182 VanDerWaalsContact O-N 3.11Å; A1178-C1182 PolarHBondContact O-SG 2.63Å; R1179-C1182 WeakPolarHBondContact O-CB 3.37Å; R1179-C1182 PolarHBondContact O-N 3.2Å; S1180-C1182 PolarHBondContact O-N 2.68Å; C1182-I1185 WeakPolarHBondContact O-CG2 3.38Å; C1182-A1223 PolarHBondContact SG-N 3.27Å; C1182-A1223 VanDerWaalsContact SG-N 3.45Å; C1182-L1226 HydrophobicContact CB-CD1 4.33Å
1183N71.5Confident74.2Confident31 Ų3138 Ų3817%0.16618%0.18CC..Hα-helixtrans-95.8-36.1-176.9-63.9-21.9000112.5L1114 R1179 S1180 L1181 I1185 K1186 L1187L1114-N1183 HydrophobicContact CB-CB 3.79Å; L1114-N1183 HydrophobicContact CD1-CB 4.17Å; L1114-N1183 PolarHBondContact O-ND2 2.83Å; R1179-N1183 PolarHBondContact O-N 2.82Å; S1180-N1183 PolarHBondContact O-N 3.33Å; S1180-N1183 VanDerWaalsContact O-N 3.1Å; L1181-N1183 PolarHBondContact O-N 3.01Å; N1183-I1185 VanDerWaalsContact C-N 3.3Å; N1183-I1185 PolarHBondContact O-N 2.83Å; N1183-K1186 WeakPolarHBondContact O-CB 3.34Å; N1183-K1186 PolarHBondContact O-N 3.29Å; N1183-L1187 WeakPolarHBondContact O-CD1 3.39Å
1184I73.4Confident74.4Confident3 Ų341 Ų412%0.01520%0.196CC..Hα-helixtrans-58-40.3-178.9-77.2166.5000111.9L1114 L1136 L1137 L1140 S1180 K1186 L1187 F1188 W1227L1114-I1184 HydrophobicContact CD1-CG1 3.66Å; L1136-I1184 HydrophobicContact CD2-CD1 4.24Å; L1137-I1184 HydrophobicContact CD2-CG2 3.98Å; L1140-I1184 HydrophobicContact CD1-CD1 4.39Å; S1180-I1184 WeakPolarHBondContact O-CB 3.43Å; S1180-I1184 WeakPolarHBondContact O-CD1 3.42Å; S1180-I1184 WeakPolarHBondContact O-CG1 3.31Å; S1180-I1184 PolarHBondContact O-N 3.22Å; I1184-K1186 PolarHBondContact O-N 3.24Å; I1184-K1186 VanDerWaalsContact O-N 3.17Å; I1184-L1187 PolarHBondContact O-N 3.02Å; I1184-F1188 HydrophobicContact CG2-CD2 3.36Å; I1184-F1188 HydrophobicContact CG2-CE2 3.4Å; I1184-F1188 VanDerWaalsContact CG2-CE2 3.4Å; I1184-F1188 HydrophobicContact CG2-CG 4.31Å; I1184-F1188 HydrophobicContact CG2-CZ 4.38Å; I1184-F1188 PolarHBondContact O-N 3.34Å; I1184-W1227 HydrophobicContact CG2-CZ2 4.14Å
1185I69.1Low74.4Confident27 Ų2746 Ų4614%0.13821%0.214CC..THydrogen-bonded Turntrans-60.5-26178.3-167.4167000113.2C1182 N1183 L1187 I1193 L1226 W1227C1182-I1185 WeakPolarHBondContact O-CG2 3.38Å; N1183-I1185 VanDerWaalsContact C-N 3.3Å; N1183-I1185 PolarHBondContact O-N 2.83Å; I1185-L1187 VanDerWaalsContact C-N 3.28Å; I1185-L1187 PolarHBondContact O-N 3.44Å; I1185-I1193 HydrophobicContact CG1-CD1 4.13Å; I1185-I1193 VanDerWaalsContact O-CD1 3.32Å; I1185-I1193 WeakPolarHBondContact O-CD1 3.14Å; I1185-L1226 VanDerWaalsContact CD1-C 3.41Å; I1185-L1226 HydrophobicContact CD1-CB 4.26Å; I1185-L1226 WeakPolarHBondContact CD1-O 3.37Å; I1185-L1226 HydrophobicContact CG2-CB 4.18Å; I1185-L1226 HydrophobicContact CG2-CD1 4.49Å; I1185-W1227 HydrophobicContact CB-CD2 4.43Å; I1185-W1227 HydrophobicContact CB-CZ2 4.12Å; I1185-W1227 VanDerWaalsContact CD1-CA 3.42Å; I1185-W1227 HydrophobicContact CD1-CB 4.11Å; I1185-W1227 HydrophobicContact CD1-CD2 3.87Å; I1185-W1227 HydrophobicContact CD1-CE3 4.45Å; I1185-W1227 HydrophobicContact CD1-CG 3.69Å; I1185-W1227 HydrophobicContact CG1-CD2 4.4Å
1186K67.6Low74.6Confident99 Ų9945 Ų4543%0.4321%0.209SC..THydrogen-bonded Turntrans-80.3-10.1178.9-58.2179-178.81740112.6N1183 I1184N1183-K1186 WeakPolarHBondContact O-CB 3.34Å; N1183-K1186 PolarHBondContact O-N 3.29Å; I1184-K1186 PolarHBondContact O-N 3.24Å; I1184-K1186 VanDerWaalsContact O-N 3.17Å
1187L65.1Low75Confident29 Ų2946.1 Ų46.115%0.15221%0.212CC..THydrogen-bonded Turntrans-115.3-41-168.2-73.1150.8000113.8L1114 T1119 L1124 C1125 N1183 I1184 I1185L1114-L1187 HydrophobicContact CD1-CD1 3.91Å; L1114-L1187 HydrophobicContact CD2-CD1 3.3Å; L1114-L1187 HydrophobicContact CG-CD1 4.04Å; T1119-L1187 HydrophobicContact CG2-CD1 4.32Å; T1119-L1187 HydrophobicContact CG2-CD2 4.26Å; L1124-L1187 HydrophobicContact CB-CD2 3.92Å; L1124-L1187 HydrophobicContact CD1-CD2 3.81Å; C1125-L1187 PolarHBondContact SG-O 3.4Å; N1183-L1187 WeakPolarHBondContact O-CD1 3.39Å; I1184-L1187 PolarHBondContact O-N 3.02Å; I1185-L1187 VanDerWaalsContact C-N 3.28Å; I1185-L1187 PolarHBondContact O-N 3.44Å
1188F71.2Confident75.2Confident22 Ų2251.5 Ų51.510%0.09624%0.241CC..SBendtrans-80.9149.4-175.3-68-27.3000112.9I1128 A1133 L1136 L1137 I1184 L1192 I1193I1128-F1188 HydrophobicContact CB-CE1 4.33Å; I1128-F1188 HydrophobicContact CD1-CE1 4.04Å; I1128-F1188 HydrophobicContact CD1-CZ 4.26Å; I1128-F1188 HydrophobicContact CG2-CE1 4.16Å; I1128-F1188 HydrophobicContact CG2-CZ 4.39Å; A1133-F1188 HydrophobicContact CB-CD1 4.06Å; A1133-F1188 HydrophobicContact CB-CD2 4.27Å; A1133-F1188 HydrophobicContact CB-CE1 3.7Å; A1133-F1188 HydrophobicContact CB-CE2 3.92Å; A1133-F1188 HydrophobicContact CB-CG 4.35Å; A1133-F1188 HydrophobicContact CB-CZ 3.63Å; L1136-F1188 HydrophobicContact CD2-CE2 4.43Å; L1136-F1188 HydrophobicContact CD2-CZ 4.3Å; L1137-F1188 HydrophobicContact CD1-CD2 3.96Å; L1137-F1188 HydrophobicContact CD1-CE2 4.29Å; L1137-F1188 HydrophobicContact CD2-CD2 4.42Å; L1137-F1188 HydrophobicContact CD2-CE2 4.27Å; L1137-F1188 HydrophobicContact CG-CD2 4.31Å; L1137-F1188 HydrophobicContact CG-CE2 4.16Å; I1184-F1188 HydrophobicContact CG2-CD2 3.36Å; I1184-F1188 HydrophobicContact CG2-CE2 3.4Å; I1184-F1188 VanDerWaalsContact CG2-CE2 3.4Å; I1184-F1188 HydrophobicContact CG2-CG 4.31Å; I1184-F1188 HydrophobicContact CG2-CZ 4.38Å; I1184-F1188 PolarHBondContact O-N 3.34Å; F1188-L1192 HydrophobicContact CB-CD2 3.8Å; F1188-L1192 HydrophobicContact CD1-CD2 4.48Å; F1188-L1192 HydrophobicContact CD2-CD2 3.77Å; F1188-L1192 HydrophobicContact CE2-CD2 4.46Å; F1188-L1192 HydrophobicContact CG-CD2 3.79Å; F1188-I1193 HydrophobicContact CB-CD1 4.41Å; F1188-I1193 HydrophobicContact CB-CG1 4.07Å; F1188-I1193 WeakPolarHBondContact O-CD1 3.12Å
1189P69.9Low75.4Confident60 Ų6056.5 Ų56.539%0.3927%0.271SS..  trans-62.5145.8178.622.4-30.5000111.5Q1191 L1192 I1193P1189-Q1191 PolarHBondContact O-N 3.49Å; P1189-Q1191 VanDerWaalsContact O-N 3.11Å; P1189-L1192 HydrophobicContact CG-CB 4.11Å; P1189-L1192 WeakPolarHBondContact O-CB 3.27Å; P1189-L1192 PolarHBondContact O-N 3.35Å; P1189-I1193 PolarHBondContact O-N 2.94Å; P1189-I1193 VanDerWaalsContact O-N 3.09Å
1190E71.9Confident75.6Confident140 Ų14052.6 Ų52.665%0.65426%0.259SS*.Hα-helixtrans-56.3-34.1-173.2-162.1-176.5167.900113L1192 I1193 N1194E1190-L1192 PolarHBondContact O-N 2.93Å; E1190-I1193 PolarHBondContact O-N 3.35Å; E1190-N1194 VanDerWaalsContact O-CB 3.32Å; E1190-N1194 WeakPolarHBondContact O-CB 3.46Å; E1190-N1194 PolarHBondContact O-N 3.17Å; E1190-N1194 PolarHBondContact O-ND2 3.23Å
1191Q73.7Confident76.1Confident140 Ų14052.6 Ų52.665%0.65426%0.259SS*.Hα-helixtrans-62.2-40.8176.4-63.3-177.3700112.7P1189 R1195P1189-Q1191 PolarHBondContact O-N 3.49Å; P1189-Q1191 VanDerWaalsContact O-N 3.11Å; Q1191-R1195 WeakPolarHBondContact O-CG 3.46Å; Q1191-R1195 PolarHBondContact O-N 2.99Å; Q1191-R1195 VanDerWaalsContact O-N 3.17Å
1192L73.9Confident76.4Confident4 Ų453.6 Ų53.62%0.02126%0.264CS..Hα-helixtrans-71.8-43.7178.3-165.3103.2000110.5E1130 A1133 D1134 L1137 F1188 P1189 E1190 N1194 R1195 H1196E1130-L1192 HydrophobicContact CB-CD1 4.42Å; A1133-L1192 HydrophobicContact CB-CD1 4.38Å; A1133-L1192 HydrophobicContact CB-CD2 3.43Å; A1133-L1192 VanDerWaalsContact CB-CD2 3.43Å; D1134-L1192 HydrophobicContact CB-CD1 4.49Å; D1134-L1192 WeakPolarHBondContact OD1-CD1 3.12Å; L1137-L1192 HydrophobicContact CD1-CD2 3.7Å; L1137-L1192 HydrophobicContact CD1-CG 4.29Å; F1188-L1192 HydrophobicContact CB-CD2 3.8Å; F1188-L1192 HydrophobicContact CD1-CD2 4.48Å; F1188-L1192 HydrophobicContact CD2-CD2 3.77Å; F1188-L1192 HydrophobicContact CE2-CD2 4.46Å; F1188-L1192 HydrophobicContact CG-CD2 3.79Å; P1189-L1192 HydrophobicContact CG-CB 4.11Å; P1189-L1192 WeakPolarHBondContact O-CB 3.27Å; P1189-L1192 PolarHBondContact O-N 3.35Å; E1190-L1192 PolarHBondContact O-N 2.93Å; L1192-N1194 VanDerWaalsContact C-N 3.33Å; L1192-N1194 PolarHBondContact O-N 2.77Å; L1192-R1195 PolarHBondContact O-N 3.42Å; L1192-H1196 PolarHBondContact O-CD2 3.21Å; L1192-H1196 PolarHBondContact O-N 3.45Å
1193I79.7Confident76.9Confident9 Ų955.7 Ų55.75%0.04628%0.277CS..Hα-helixtrans-56-50.9174.3-67.5171.9000109.3I1185 F1188 P1189 E1190 R1195 H1196 R1197 W1227I1185-I1193 HydrophobicContact CG1-CD1 4.13Å; I1185-I1193 VanDerWaalsContact O-CD1 3.32Å; I1185-I1193 WeakPolarHBondContact O-CD1 3.14Å; F1188-I1193 HydrophobicContact CB-CD1 4.41Å; F1188-I1193 HydrophobicContact CB-CG1 4.07Å; F1188-I1193 WeakPolarHBondContact O-CD1 3.12Å; P1189-I1193 PolarHBondContact O-N 2.94Å; P1189-I1193 VanDerWaalsContact O-N 3.09Å; E1190-I1193 PolarHBondContact O-N 3.35Å; I1193-R1195 VanDerWaalsContact C-N 3.34Å; I1193-R1195 PolarHBondContact O-N 3.05Å; I1193-H1196 PolarHBondContact O-N 2.94Å; I1193-R1197 WeakPolarHBondContact O-CA 3.46Å; I1193-R1197 WeakPolarHBondContact O-CB 3.17Å; I1193-R1197 PolarHBondContact O-N 2.83Å; I1193-W1227 HydrophobicContact CG2-CE3 4.13Å; I1193-W1227 HydrophobicContact CG2-CH2 4.47Å; I1193-W1227 HydrophobicContact CG2-CZ3 3.8Å
1194N79.9Confident77.5Confident74 Ų7454.3 Ų54.340%0.39627%0.27SS..Hα-helixtrans-64.3-34.2-177.5-70.7-15.7000113.3E1190 L1192 H1196 R1197E1190-N1194 VanDerWaalsContact O-CB 3.32Å; E1190-N1194 WeakPolarHBondContact O-CB 3.46Å; E1190-N1194 PolarHBondContact O-N 3.17Å; E1190-N1194 PolarHBondContact O-ND2 3.23Å; L1192-N1194 VanDerWaalsContact C-N 3.33Å; L1192-N1194 PolarHBondContact O-N 2.77Å; N1194-H1196 VanDerWaalsContact C-N 3.34Å; N1194-H1196 PolarHBondContact O-N 2.79Å; N1194-R1197 PolarHBondContact OD1-NE 3.13Å
1195R79.4Confident78.2Confident144 Ų14454.2 Ų54.254%0.54327%0.269SS..Hα-helixtrans-62.3-38.2174.7-76.7175.7-171.5173.36.8113Q1191 L1192 I1193Q1191-R1195 WeakPolarHBondContact O-CG 3.46Å; Q1191-R1195 PolarHBondContact O-N 2.99Å; Q1191-R1195 VanDerWaalsContact O-N 3.17Å; L1192-R1195 PolarHBondContact O-N 3.42Å; I1193-R1195 VanDerWaalsContact C-N 3.34Å; I1193-R1195 PolarHBondContact O-N 3.05Å
1196H83Confident79Confident18 Ų1856.1 Ų56.18%0.08328%0.28CS..Hα-helixtrans-100.8-17.7-175.5-70.8-98.3000114D1134 L1137 L1192 I1193 N1194 N1200 I1201D1134-H1196 IonicContact OD1-CD2 3.78Å; D1134-H1196 IonicContact OD1-NE2 3.86Å; D1134-H1196 PolarHBondContact OD1-NE2 3.01Å; L1137-H1196 HydrophobicContact CB-CB 4Å; L1137-H1196 HydrophobicContact CD1-CB 3.98Å; L1192-H1196 PolarHBondContact O-CD2 3.21Å; L1192-H1196 PolarHBondContact O-N 3.45Å; I1193-H1196 PolarHBondContact O-N 2.94Å; N1194-H1196 VanDerWaalsContact C-N 3.34Å; N1194-H1196 PolarHBondContact O-N 2.79Å; H1196-N1200 HydrophobicContact CB-CB 4.37Å; H1196-N1200 PolarHBondContact ND1-ND2 2.87Å; H1196-N1200 PolarHBondContact O-N 3.16Å; H1196-I1201 HydrophobicContact CB-CG1 4.23Å; H1196-I1201 PolarHBondContact O-N 3.5Å
1197R82.5Confident79.7Confident44 Ų4455.5 Ų55.517%0.16628%0.279CS..Iπ-helixtrans-51.2-62.9-176.8179.6-172.5-66.5-139.4-6110.9I1193 N1194 I1201 L1202 W1227 I1229I1193-R1197 WeakPolarHBondContact O-CA 3.46Å; I1193-R1197 WeakPolarHBondContact O-CB 3.17Å; I1193-R1197 PolarHBondContact O-N 2.83Å; N1194-R1197 PolarHBondContact OD1-NE 3.13Å; R1197-I1201 PolarHBondContact O-N 3.5Å; R1197-L1202 HydrophobicContact CG-CD1 3.91Å; R1197-L1202 HydrophobicContact CG-CG 4.11Å; R1197-L1202 WeakPolarHBondContact O-CB 3.42Å; R1197-L1202 WeakPolarHBondContact O-CG 3.28Å; R1197-L1202 PolarHBondContact O-N 3.48Å; R1197-W1227 HydrophobicContact CB-CE3 4.33Å; R1197-W1227 WeakPolarHBondContact CD-O 3.41Å; R1197-W1227 HydrophobicContact CG-CE3 4.37Å; R1197-W1227 PolarHBondContact NH1-O 3.33Å; R1197-I1229 PolarHBondContact NH1-OXT 2.78Å; R1197-I1229 PolarHBondContact NH2-OXT 3.13Å; R1197-I1229 VanDerWaalsContact NH2-OXT 3.15Å
1198D82Confident80.7Confident114 Ų11454.2 Ų54.261%0.6127%0.272SS*.Iπ-helixtrans-80.1-27.4-173.7-60.6-28.7000113L1202 P1203D1198-L1202 WeakPolarHBondContact OD1-CD1 3.5Å; D1198-P1203 WeakPolarHBondContact O-CD 3.34Å
1199V82.8Confident81.4Confident104 Ų10454.9 Ų54.963%0.6328%0.278SS*.Iπ-helixtrans-87.3-44-172.5-177.30000112.4
1200N82Confident81.9Confident34 Ų3458.7 Ų58.718%0.18230%0.295CS..Iπ-helixtrans-115.9-43.4-168.7-67.5-51.2000112.4P1141 H1196 L1204P1141-N1200 HydrophobicContact CG-CB 4.02Å; P1141-N1200 VanDerWaalsContact CG-O 3.32Å; P1141-N1200 WeakPolarHBondContact CG-O 3.29Å; H1196-N1200 HydrophobicContact CB-CB 4.37Å; H1196-N1200 PolarHBondContact ND1-ND2 2.87Å; H1196-N1200 PolarHBondContact O-N 3.16Å; N1200-L1204 VanDerWaalsContact O-CB 3.31Å; N1200-L1204 WeakPolarHBondContact O-CB 3.36Å
1201I85.2Confident82.3Confident0 Ų052.5 Ų52.50%027%0.266CS..Iπ-helixtrans-92.1-46.7-164.6-55.2-57.7000113.4L1137 L1140 L1181 H1196 R1197 L1204 L1205 W1227L1137-I1201 HydrophobicContact CB-CD1 4.48Å; L1137-I1201 HydrophobicContact CD2-CD1 3.94Å; L1137-I1201 HydrophobicContact CD2-CG1 4.35Å; L1140-I1201 HydrophobicContact CD1-CD1 4.44Å; L1181-I1201 HydrophobicContact CD1-CG2 4.36Å; L1181-I1201 HydrophobicContact CD2-CD1 4.03Å; L1181-I1201 HydrophobicContact CD2-CG2 3.98Å; H1196-I1201 HydrophobicContact CB-CG1 4.23Å; H1196-I1201 PolarHBondContact O-N 3.5Å; R1197-I1201 PolarHBondContact O-N 3.5Å; I1201-L1204 WeakPolarHBondContact O-CB 3.4Å; I1201-L1204 PolarHBondContact O-N 3.4Å; I1201-L1205 HydrophobicContact CG2-CD1 3.69Å; I1201-L1205 HydrophobicContact CG2-CG 4.21Å; I1201-L1205 WeakPolarHBondContact O-CB 3.33Å; I1201-L1205 WeakPolarHBondContact O-CG 3.44Å; I1201-L1205 PolarHBondContact O-N 3.44Å; I1201-W1227 HydrophobicContact CB-CD2 4.27Å; I1201-W1227 HydrophobicContact CB-CE3 3.84Å; I1201-W1227 HydrophobicContact CB-CH2 4.26Å; I1201-W1227 HydrophobicContact CB-CZ3 3.84Å; I1201-W1227 HydrophobicContact CG1-CE3 4.24Å; I1201-W1227 HydrophobicContact CG1-CH2 3.79Å; I1201-W1227 HydrophobicContact CG1-CZ2 4.4Å; I1201-W1227 HydrophobicContact CG1-CZ3 3.69Å; I1201-W1227 HydrophobicContact CG2-CD2 3.43Å; I1201-W1227 VanDerWaalsContact CG2-CD2 3.43Å; I1201-W1227 HydrophobicContact CG2-CE3 3.54Å; I1201-W1227 HydrophobicContact CG2-CG 4.01Å; I1201-W1227 HydrophobicContact CG2-CH2 4Å; I1201-W1227 HydrophobicContact CG2-CZ2 3.91Å; I1201-W1227 HydrophobicContact CG2-CZ3 3.82Å
1202L86.5Confident82.4Confident20 Ų2051.1 Ų51.111%0.10527%0.27CS..Hα-helixtrans-61.5-43.5175.9-72.1178.9000112.2R1197 D1198 L1204 L1205 D1206 W1227 L1228R1197-L1202 HydrophobicContact CG-CD1 3.91Å; R1197-L1202 HydrophobicContact CG-CG 4.11Å; R1197-L1202 WeakPolarHBondContact O-CB 3.42Å; R1197-L1202 WeakPolarHBondContact O-CG 3.28Å; R1197-L1202 PolarHBondContact O-N 3.48Å; D1198-L1202 WeakPolarHBondContact OD1-CD1 3.5Å; L1202-L1204 VanDerWaalsContact C-N 3.28Å; L1202-L1204 PolarHBondContact O-N 3.3Å; L1202-L1205 PolarHBondContact O-N 3.11Å; L1202-D1206 WeakPolarHBondContact O-CB 3.35Å; L1202-D1206 VanDerWaalsContact O-CG 3.28Å; L1202-D1206 PolarHBondContact O-N 2.72Å; L1202-W1227 HydrophobicContact CD2-CB 3.99Å; L1202-L1228 HydrophobicContact CD1-CD2 3.96Å; L1202-L1228 HydrophobicContact CD2-CD2 3.87Å; L1202-L1228 HydrophobicContact CD2-CG 4.02Å
1203P84.9Confident82.6Confident53 Ų5353.5 Ų53.534%0.34428%0.282SS..Hα-helixtrans-60.5-36.6173.3-25.135.6000113.1D1198 Q1207D1198-P1203 WeakPolarHBondContact O-CD 3.34Å; P1203-Q1207 WeakPolarHBondContact O-CG 3.22Å; P1203-Q1207 PolarHBondContact O-N 3.3Å; P1203-Q1207 VanDerWaalsContact O-N 3.15Å
1204L84.9Confident82.5Confident3 Ų361.4 Ų61.42%0.01631%0.311CS..Hα-helixtrans-66.6-44.5176.3-17663.1000111.9L1140 P1141 I1144 I1177 L1181 N1200 I1201 L1202 Q1207 L1208L1140-L1204 HydrophobicContact CB-CD2 4.16Å; P1141-L1204 HydrophobicContact CB-CD1 4.1Å; P1141-L1204 HydrophobicContact CG-CB 4.39Å; P1141-L1204 HydrophobicContact CG-CD2 4.18Å; I1144-L1204 HydrophobicContact CB-CD1 4.19Å; I1144-L1204 HydrophobicContact CD1-CD1 3.27Å; I1144-L1204 HydrophobicContact CD1-CD2 4.36Å; I1144-L1204 HydrophobicContact CD1-CG 3.99Å; I1144-L1204 HydrophobicContact CG1-CD1 3.73Å; I1177-L1204 HydrophobicContact CG2-CD2 4.2Å; L1181-L1204 HydrophobicContact CD1-CD2 4.17Å; N1200-L1204 VanDerWaalsContact O-CB 3.31Å; N1200-L1204 WeakPolarHBondContact O-CB 3.36Å; I1201-L1204 WeakPolarHBondContact O-CB 3.4Å; I1201-L1204 PolarHBondContact O-N 3.4Å; L1202-L1204 VanDerWaalsContact C-N 3.28Å; L1202-L1204 PolarHBondContact O-N 3.3Å; L1204-Q1207 WeakPolarHBondContact O-CB 3.09Å; L1204-Q1207 PolarHBondContact O-N 3.26Å; L1204-L1208 HydrophobicContact CG-CD1 4.46Å; L1204-L1208 WeakPolarHBondContact O-CG 3.24Å; L1204-L1208 PolarHBondContact O-N 3.44Å
1205L86Confident82.4Confident0 Ų065.9 Ų65.90%032%0.324CS..Hα-helixtrans-69.1-36.8178.7-71.3171.6000111.2L1181 I1201 L1202 Q1207 L1208 V1209 A1223 R1224 W1227L1181-L1205 HydrophobicContact CD1-CD1 4.5Å; L1181-L1205 HydrophobicContact CD1-CD2 3.66Å; L1181-L1205 HydrophobicContact CD1-CG 4.08Å; I1201-L1205 HydrophobicContact CG2-CD1 3.69Å; I1201-L1205 HydrophobicContact CG2-CG 4.21Å; I1201-L1205 WeakPolarHBondContact O-CB 3.33Å; I1201-L1205 WeakPolarHBondContact O-CG 3.44Å; I1201-L1205 PolarHBondContact O-N 3.44Å; L1202-L1205 PolarHBondContact O-N 3.11Å; L1205-Q1207 VanDerWaalsContact C-N 3.31Å; L1205-Q1207 PolarHBondContact O-N 3.44Å; L1205-L1208 CarbonylContact O-C 3.52Å; L1205-L1208 PolarHBondContact O-N 3.47Å; L1205-L1208 VanDerWaalsContact O-N 3.14Å; L1205-V1209 WeakPolarHBondContact O-CB 3.44Å; L1205-V1209 VanDerWaalsContact O-CG2 3.26Å; L1205-V1209 WeakPolarHBondContact O-CG2 3.39Å; L1205-V1209 PolarHBondContact O-N 3.07Å; L1205-A1223 HydrophobicContact CD1-CB 4.14Å; L1205-A1223 HydrophobicContact CD2-CB 3.58Å; L1205-R1224 HydrophobicContact CB-CB 4.08Å; L1205-R1224 HydrophobicContact CB-CG 4.28Å; L1205-R1224 HydrophobicContact CD1-CB 4.37Å; L1205-W1227 HydrophobicContact CD1-CB 4.03Å; L1205-W1227 HydrophobicContact CD1-CG 3.86Å
1206D85.9Confident82.5Confident68 Ų6859.1 Ų59.136%0.36430%0.298SS..Hα-helixtrans-58.2-43.7171.6-73.8-28.5000110.9L1202 L1208 V1209 R1224L1202-D1206 WeakPolarHBondContact O-CB 3.35Å; L1202-D1206 VanDerWaalsContact O-CG 3.28Å; L1202-D1206 PolarHBondContact O-N 2.72Å; D1206-L1208 PolarHBondContact O-N 3.15Å; D1206-V1209 PolarHBondContact O-N 3.24Å; D1206-R1224 IonicContact OD1-CZ 2.87Å; D1206-R1224 IonicContact OD1-NE 2.74Å; D1206-R1224 PolarHBondContact OD1-NE 3.02Å; D1206-R1224 IonicContact OD1-NH2 2.93Å; D1206-R1224 PolarHBondContact OD1-NH2 3.33Å
1207Q84.2Confident82.4Confident85 Ų8563.6 Ų63.640%0.39732%0.315SS..Hα-helixtrans-62.8-39174-70.1178.41100112.9H1145 P1203 L1204 L1205H1145-Q1207 PolarHBondContact CE1-NE2 3.35Å; H1145-Q1207 PolarHBondContact CE1-OE1 2.91Å; H1145-Q1207 PolarHBondContact NE2-NE2 3.41Å; H1145-Q1207 VanDerWaalsContact NE2-NE2 3.2Å; H1145-Q1207 PolarHBondContact NE2-OE1 3.39Å; P1203-Q1207 WeakPolarHBondContact O-CG 3.22Å; P1203-Q1207 PolarHBondContact O-N 3.3Å; P1203-Q1207 VanDerWaalsContact O-N 3.15Å; L1204-Q1207 WeakPolarHBondContact O-CB 3.09Å; L1204-Q1207 PolarHBondContact O-N 3.26Å; L1205-Q1207 VanDerWaalsContact C-N 3.31Å; L1205-Q1207 PolarHBondContact O-N 3.44Å
1208L85.3Confident82.3Confident2 Ų264.9 Ų64.91%0.0132%0.324CS..Hα-helixtrans-79-24.5-178.6-72.4178.5000113.9I1144 R1174 I1177 L1204 L1205 D1206 D1210 D1211 V1216 A1220I1144-L1208 HydrophobicContact CD1-CD1 3.77Å; I1144-L1208 HydrophobicContact CD1-CD2 3.74Å; I1144-L1208 HydrophobicContact CD1-CG 3.87Å; R1174-L1208 HydrophobicContact CB-CD2 3.88Å; R1174-L1208 HydrophobicContact CG-CD2 3.91Å; I1177-L1208 HydrophobicContact CG2-CD1 4.29Å; L1204-L1208 HydrophobicContact CG-CD1 4.46Å; L1204-L1208 WeakPolarHBondContact O-CG 3.24Å; L1204-L1208 PolarHBondContact O-N 3.44Å; L1205-L1208 CarbonylContact O-C 3.52Å; L1205-L1208 PolarHBondContact O-N 3.47Å; L1205-L1208 VanDerWaalsContact O-N 3.14Å; D1206-L1208 PolarHBondContact O-N 3.15Å; L1208-D1210 PolarHBondContact O-N 3.21Å; L1208-D1211 WeakPolarHBondContact O-CB 2.82Å; L1208-D1211 PolarHBondContact O-N 2.8Å; L1208-V1216 HydrophobicContact CD2-CG1 3.84Å; L1208-A1220 HydrophobicContact CB-CB 3.55Å
1209V85.5Confident82.2Confident36 Ų3661.3 Ų61.322%0.21830%0.304CS..Hα-helixtrans-67.2-30.5173.2166.10000111L1205 D1206 D1211 R1217 A1220 V1221 R1224L1205-V1209 WeakPolarHBondContact O-CB 3.44Å; L1205-V1209 VanDerWaalsContact O-CG2 3.26Å; L1205-V1209 WeakPolarHBondContact O-CG2 3.39Å; L1205-V1209 PolarHBondContact O-N 3.07Å; D1206-V1209 PolarHBondContact O-N 3.24Å; V1209-D1211 VanDerWaalsContact C-N 3.31Å; V1209-R1217 WeakPolarHBondContact O-CD 3.17Å; V1209-R1217 VanDerWaalsContact O-CG 3.25Å; V1209-R1217 WeakPolarHBondContact O-CG 3.15Å; V1209-A1220 HydrophobicContact CG2-CB 4.13Å; V1209-V1221 HydrophobicContact CB-CG2 4.4Å; V1209-V1221 HydrophobicContact CG1-CG2 3.92Å; V1209-V1221 HydrophobicContact CG2-CG2 3.78Å; V1209-R1224 HydrophobicContact CG2-CB 4.25Å
1210D80Confident82.4Confident140 Ų14056.3 Ų56.375%0.74927%0.274SS*.THydrogen-bonded Turntrans-8913173.4-71-25.8000113.6L1208L1208-D1210 PolarHBondContact O-N 3.21Å
1211D81.7Confident82.6Confident10 Ų1057.5 Ų57.55%0.05328%0.282CS..  trans-64.9142.5-176.8-163.3-81.1000113.3R1174 L1208 V1209 N1213 V1216 R1217R1174-D1211 VanDerWaalsContact CD-OD2 3.25Å; R1174-D1211 WeakPolarHBondContact CD-OD2 3.3Å; R1174-D1211 IonicContact CZ-OD1 3.69Å; R1174-D1211 IonicContact CZ-OD2 2.81Å; R1174-D1211 IonicContact NE-OD2 2.83Å; R1174-D1211 VanDerWaalsContact NH1-CG 3.3Å; R1174-D1211 IonicContact NH1-OD1 3.73Å; R1174-D1211 PolarHBondContact NH1-OD1 3.24Å; R1174-D1211 IonicContact NH1-OD2 2.76Å; R1174-D1211 PolarHBondContact NH1-OD2 2.95Å; L1208-D1211 WeakPolarHBondContact O-CB 2.82Å; L1208-D1211 PolarHBondContact O-N 2.8Å; V1209-D1211 VanDerWaalsContact C-N 3.31Å; D1211-N1213 PolarHBondContact O-N 3.34Å; D1211-N1213 WeakPolarHBondContact OD1-CB 3.47Å; D1211-N1213 PolarHBondContact OD1-N 3.1Å; D1211-V1216 HydrophobicContact CB-CB 4.17Å; D1211-V1216 HydrophobicContact CB-CG1 3.79Å; D1211-R1217 HydrophobicContact CB-CG 4.07Å; D1211-R1217 WeakPolarHBondContact O-CD 3.36Å; D1211-R1217 WeakPolarHBondContact O-CG 3.43Å; D1211-R1217 PolarHBondContact O-NE 3.08Å
1212P75.8Confident82.5Confident112 Ų11259.6 Ų59.673%0.72729%0.292SS*.SBendtrans-59.9-29.1175.422.5-34.7000114
1213N77.5Confident82.4Confident53 Ų5358.7 Ų58.728%0.28329%0.287SS..SBendtrans-85.9124-178.7-168.8-48.2000112.1T1171 D1211 Y1215 V1216 R1217T1171-N1213 HydrophobicContact CG2-CB 4.04Å; T1171-N1213 WeakPolarHBondContact CG2-ND2 3.49Å; D1211-N1213 PolarHBondContact O-N 3.34Å; D1211-N1213 WeakPolarHBondContact OD1-CB 3.47Å; D1211-N1213 PolarHBondContact OD1-N 3.1Å; N1213-Y1215 VanDerWaalsContact C-N 3.34Å; N1213-Y1215 PolarHBondContact O-N 3.21Å; N1213-Y1215 PolarHBondContact OD1-N 3.22Å; N1213-V1216 HydrophobicContact CB-CB 4.22Å; N1213-V1216 HydrophobicContact CB-CG2 3.89Å; N1213-V1216 PolarHBondContact O-N 3.48Å; N1213-R1217 PolarHBondContact O-N 3.02Å
1214R77.2Confident82.4Confident175 Ų17559.8 Ų59.866%0.6628%0.284SS*.Hα-helixtrans-57.3-39.9179.6-176.2-179.4177.3-171.4-1113.8R1217 I1218R1214-R1217 PolarHBondContact O-N 2.95Å; R1214-I1218 HydrophobicContact CG-CD1 3.92Å; R1214-I1218 HydrophobicContact CG-CG1 4.46Å; R1214-I1218 VanDerWaalsContact O-CG1 3.32Å; R1214-I1218 WeakPolarHBondContact O-CG1 3.25Å; R1214-I1218 PolarHBondContact O-N 3.4Å
1215Y77.5Confident82.4Confident169 Ų16963.7 Ų63.766%0.66331%0.305SS*.Hα-helixtrans-68.9-39.6-178.5-64.1-74000111.6N1213 R1217 I1218 E1219N1213-Y1215 VanDerWaalsContact C-N 3.34Å; N1213-Y1215 PolarHBondContact O-N 3.21Å; N1213-Y1215 PolarHBondContact OD1-N 3.22Å; Y1215-R1217 VanDerWaalsContact C-N 3.35Å; Y1215-I1218 PolarHBondContact O-N 3.47Å; Y1215-E1219 WeakPolarHBondContact O-CG 3.42Å; Y1215-E1219 PolarHBondContact O-N 3Å
1216V81.5Confident82.2Confident1 Ų165.7 Ų65.71%0.00632%0.315CS..Hα-helixtrans-61.1-46.8173.61790000109.6T1171 R1174 L1175 L1208 D1211 N1213 I1218 E1219 A1220T1171-V1216 HydrophobicContact CG2-CG2 4.26Å; R1174-V1216 HydrophobicContact CB-CG1 3.9Å; R1174-V1216 HydrophobicContact CB-CG2 4.13Å; L1175-V1216 HydrophobicContact CB-CG2 4.1Å; L1175-V1216 HydrophobicContact CD1-CG2 4.46Å; L1208-V1216 HydrophobicContact CD2-CG1 3.84Å; D1211-V1216 HydrophobicContact CB-CB 4.17Å; D1211-V1216 HydrophobicContact CB-CG1 3.79Å; N1213-V1216 HydrophobicContact CB-CB 4.22Å; N1213-V1216 HydrophobicContact CB-CG2 3.89Å; N1213-V1216 PolarHBondContact O-N 3.48Å; V1216-I1218 PolarHBondContact O-N 2.99Å; V1216-E1219 PolarHBondContact O-N 3.42Å; V1216-A1220 WeakPolarHBondContact O-CB 3.41Å; V1216-A1220 PolarHBondContact O-N 3.13Å
1217R82.5Confident82Confident112 Ų11262.4 Ų62.442%0.42330%0.298SS..Hα-helixtrans-59-43.5177.7-71.4-168.2-76.1175.6-2.9113.7V1209 D1211 N1213 R1214 Y1215 A1220 V1221V1209-R1217 WeakPolarHBondContact O-CD 3.17Å; V1209-R1217 VanDerWaalsContact O-CG 3.25Å; V1209-R1217 WeakPolarHBondContact O-CG 3.15Å; D1211-R1217 HydrophobicContact CB-CG 4.07Å; D1211-R1217 WeakPolarHBondContact O-CD 3.36Å; D1211-R1217 WeakPolarHBondContact O-CG 3.43Å; D1211-R1217 PolarHBondContact O-NE 3.08Å; N1213-R1217 PolarHBondContact O-N 3.02Å; R1214-R1217 PolarHBondContact O-N 2.95Å; Y1215-R1217 VanDerWaalsContact C-N 3.35Å; R1217-A1220 PolarHBondContact O-N 2.71Å; R1217-V1221 WeakPolarHBondContact O-CB 3Å; R1217-V1221 WeakPolarHBondContact O-CG2 3.48Å; R1217-V1221 PolarHBondContact O-N 3.23Å
1218I78.7Confident81.9Confident72 Ų7262.6 Ų62.637%0.36930%0.301SS..Hα-helixtrans-63.4-49-178.3-69.4165.9000110.5R1214 Y1215 V1216 A1220 V1221 Q1222R1214-I1218 HydrophobicContact CG-CD1 3.92Å; R1214-I1218 HydrophobicContact CG-CG1 4.46Å; R1214-I1218 VanDerWaalsContact O-CG1 3.32Å; R1214-I1218 WeakPolarHBondContact O-CG1 3.25Å; R1214-I1218 PolarHBondContact O-N 3.4Å; Y1215-I1218 PolarHBondContact O-N 3.47Å; V1216-I1218 PolarHBondContact O-N 2.99Å; I1218-A1220 VanDerWaalsContact C-N 3.34Å; I1218-V1221 PolarHBondContact O-N 3.1Å; I1218-Q1222 WeakPolarHBondContact O-CG 3.35Å; I1218-Q1222 PolarHBondContact O-N 3.5Å; I1218-Q1222 VanDerWaalsContact O-N 3.09Å
1219E81.5Confident81.2Confident38 Ų3870.1 Ų70.118%0.17834%0.34CS..Hα-helixtrans-66.5-38.1178.2-62.8-79-17000111L1175 A1178 R1179 Y1215 V1216 Q1222 A1223L1175-E1219 HydrophobicContact CD1-CB 4.49Å; L1175-E1219 HydrophobicContact CD1-CG 3.87Å; A1178-E1219 HydrophobicContact CB-CB 3.67Å; R1179-E1219 HydrophobicContact CG-CG 4.08Å; R1179-E1219 IonicContact CZ-OE1 3.42Å; R1179-E1219 IonicContact NE-OE1 3.53Å; R1179-E1219 PolarHBondContact NE-OE1 2.68Å; R1179-E1219 IonicContact NH2-OE1 3.96Å; R1179-E1219 PolarHBondContact NH2-OE1 3.32Å; Y1215-E1219 WeakPolarHBondContact O-CG 3.42Å; Y1215-E1219 PolarHBondContact O-N 3Å; V1216-E1219 PolarHBondContact O-N 3.42Å; E1219-Q1222 PolarHBondContact O-N 3.39Å; E1219-A1223 WeakPolarHBondContact O-CB 3.17Å; E1219-A1223 PolarHBondContact O-N 3.13Å
1220A85.4Confident81Confident0 Ų071.8 Ų71.80%035%0.346CS..Hα-helixtrans-67.1-39.2177.600000112.5A1178 L1208 V1209 V1216 R1217 I1218 Q1222 A1223 R1224A1178-A1220 HydrophobicContact CB-CB 4.4Å; L1208-A1220 HydrophobicContact CB-CB 3.55Å; V1209-A1220 HydrophobicContact CG2-CB 4.13Å; V1216-A1220 WeakPolarHBondContact O-CB 3.41Å; V1216-A1220 PolarHBondContact O-N 3.13Å; R1217-A1220 PolarHBondContact O-N 2.71Å; I1218-A1220 VanDerWaalsContact C-N 3.34Å; A1220-Q1222 VanDerWaalsContact C-N 3.35Å; A1220-A1223 PolarHBondContact O-N 3.49Å; A1220-R1224 WeakPolarHBondContact O-CB 3.47Å; A1220-R1224 PolarHBondContact O-N 3.41Å
1221V86.1Confident81.1Confident58 Ų5868.2 Ų68.235%0.35233%0.325SS..Hα-helixtrans-64.6-41.3173.6169.20000110.5V1209 R1217 I1218 R1224 N1225V1209-V1221 HydrophobicContact CB-CG2 4.4Å; V1209-V1221 HydrophobicContact CG1-CG2 3.92Å; V1209-V1221 HydrophobicContact CG2-CG2 3.78Å; R1217-V1221 WeakPolarHBondContact O-CB 3Å; R1217-V1221 WeakPolarHBondContact O-CG2 3.48Å; R1217-V1221 PolarHBondContact O-N 3.23Å; I1218-V1221 PolarHBondContact O-N 3.1Å; V1221-R1224 PolarHBondContact O-N 3.44Å; V1221-N1225 WeakPolarHBondContact O-CB 3.36Å; V1221-N1225 PolarHBondContact O-N 2.95Å; V1221-N1225 PolarHBondContact O-ND2 3.43Å
1222Q83.2Confident81Confident45 Ų4571.4 Ų71.421%0.2134%0.34CS..Hα-helixtrans-62.6-49.7175.8-73.3176.74.900111.3I1218 E1219 A1220 R1224 N1225 L1226I1218-Q1222 WeakPolarHBondContact O-CG 3.35Å; I1218-Q1222 PolarHBondContact O-N 3.5Å; I1218-Q1222 VanDerWaalsContact O-N 3.09Å; E1219-Q1222 PolarHBondContact O-N 3.39Å; A1220-Q1222 VanDerWaalsContact C-N 3.35Å; Q1222-R1224 PolarHBondContact O-N 3.43Å; Q1222-N1225 PolarHBondContact O-N 3.09Å; Q1222-L1226 WeakPolarHBondContact O-CG 3.48Å; Q1222-L1226 PolarHBondContact O-N 3.18Å; Q1222-L1226 VanDerWaalsContact O-N 3.08Å
1223A84.4Confident81.3Confident0 Ų069.1 Ų69.10%032%0.317CS..Hα-helixtrans-56.7-50.517400000110.5L1181 C1182 L1205 E1219 A1220 N1225 L1226 W1227L1181-A1223 HydrophobicContact CB-CB 4.07Å; C1182-A1223 PolarHBondContact SG-N 3.27Å; C1182-A1223 VanDerWaalsContact SG-N 3.45Å; L1205-A1223 HydrophobicContact CD1-CB 4.14Å; L1205-A1223 HydrophobicContact CD2-CB 3.58Å; E1219-A1223 WeakPolarHBondContact O-CB 3.17Å; E1219-A1223 PolarHBondContact O-N 3.13Å; A1220-A1223 PolarHBondContact O-N 3.49Å; A1223-N1225 VanDerWaalsContact C-N 3.33Å; A1223-N1225 PolarHBondContact O-N 2.8Å; A1223-L1226 WeakPolarHBondContact O-CA 3.41Å; A1223-L1226 WeakPolarHBondContact O-CB 3.38Å; A1223-L1226 PolarHBondContact O-N 3.32Å; A1223-W1227 PolarHBondContact O-N 3.35Å
1224R85.7Confident81.6Confident77 Ų7770.1 Ų70.129%0.29132%0.319SS..Hα-helixtrans-57.2-45.2-178.8-171179.2-177.8-87.61.4112.6L1205 D1206 V1209 A1220 V1221 Q1222 L1226 W1227 L1228L1205-R1224 HydrophobicContact CB-CB 4.08Å; L1205-R1224 HydrophobicContact CB-CG 4.28Å; L1205-R1224 HydrophobicContact CD1-CB 4.37Å; D1206-R1224 IonicContact OD1-CZ 2.87Å; D1206-R1224 IonicContact OD1-NE 2.74Å; D1206-R1224 PolarHBondContact OD1-NE 3.02Å; D1206-R1224 IonicContact OD1-NH2 2.93Å; D1206-R1224 PolarHBondContact OD1-NH2 3.33Å; V1209-R1224 HydrophobicContact CG2-CB 4.25Å; A1220-R1224 WeakPolarHBondContact O-CB 3.47Å; A1220-R1224 PolarHBondContact O-N 3.41Å; V1221-R1224 PolarHBondContact O-N 3.44Å; Q1222-R1224 PolarHBondContact O-N 3.43Å; R1224-L1226 VanDerWaalsContact C-N 3.29Å; R1224-L1226 PolarHBondContact O-N 2.75Å; R1224-W1227 PolarHBondContact O-N 2.97Å; R1224-L1228 HydrophobicContact CG-CD1 4.15Å; R1224-L1228 VanDerWaalsContact O-CG 3.32Å; R1224-L1228 WeakPolarHBondContact O-CG 3.13Å; R1224-L1228 PolarHBondContact O-N 2.99Å
1225N84.7Confident81.9Confident84 Ų8463.1 Ų63.145%0.44930%0.296SS..Hα-helixtrans-62.8-39.1177.6-70.2-16000111.4V1221 Q1222 A1223 I1229V1221-N1225 WeakPolarHBondContact O-CB 3.36Å; V1221-N1225 PolarHBondContact O-N 2.95Å; V1221-N1225 PolarHBondContact O-ND2 3.43Å; Q1222-N1225 PolarHBondContact O-N 3.09Å; A1223-N1225 VanDerWaalsContact C-N 3.33Å; A1223-N1225 PolarHBondContact O-N 2.8Å; N1225-I1229 WeakPolarHBondContact O-CD1 3.22Å; N1225-I1229 VanDerWaalsContact O-CG1 3.29Å; N1225-I1229 WeakPolarHBondContact O-CG1 3.19Å; N1225-I1229 PolarHBondContact O-N 3.07Å
1226L81.2Confident82.2Confident42 Ų4255.5 Ų55.522%0.2227%0.27CS..Hα-helixtrans-65.1-42.5174.9-68.9169.2000111.9C1182 I1185 Q1222 A1223 R1224 L1228 I1229C1182-L1226 HydrophobicContact CB-CD1 4.33Å; I1185-L1226 VanDerWaalsContact CD1-C 3.41Å; I1185-L1226 HydrophobicContact CD1-CB 4.26Å; I1185-L1226 WeakPolarHBondContact CD1-O 3.37Å; I1185-L1226 HydrophobicContact CG2-CB 4.18Å; I1185-L1226 HydrophobicContact CG2-CD1 4.49Å; Q1222-L1226 WeakPolarHBondContact O-CG 3.48Å; Q1222-L1226 PolarHBondContact O-N 3.18Å; Q1222-L1226 VanDerWaalsContact O-N 3.08Å; A1223-L1226 WeakPolarHBondContact O-CA 3.41Å; A1223-L1226 WeakPolarHBondContact O-CB 3.38Å; A1223-L1226 PolarHBondContact O-N 3.32Å; R1224-L1226 VanDerWaalsContact C-N 3.29Å; R1224-L1226 PolarHBondContact O-N 2.75Å; L1226-L1228 VanDerWaalsContact C-N 3.3Å; L1226-L1228 PolarHBondContact O-N 3.2Å; L1226-I1229 PolarHBondContact O-N 2.81Å
1227W83Confident82.3Confident0 Ų059.7 Ų59.70%029%0.29CS..Hα-helixtrans-73.9-15.7-179.3-77.678.1000114.7L1137 L1181 I1184 I1185 I1193 R1197 I1201 L1202 L1205 A1223 R1224L1137-W1227 HydrophobicContact CD2-CH2 4.07Å; L1181-W1227 HydrophobicContact CD2-CZ2 3.9Å; L1181-W1227 PolarHBondContact O-NE1 3.42Å; I1184-W1227 HydrophobicContact CG2-CZ2 4.14Å; I1185-W1227 HydrophobicContact CB-CD2 4.43Å; I1185-W1227 HydrophobicContact CB-CZ2 4.12Å; I1185-W1227 VanDerWaalsContact CD1-CA 3.42Å; I1185-W1227 HydrophobicContact CD1-CB 4.11Å; I1185-W1227 HydrophobicContact CD1-CD2 3.87Å; I1185-W1227 HydrophobicContact CD1-CE3 4.45Å; I1185-W1227 HydrophobicContact CD1-CG 3.69Å; I1185-W1227 HydrophobicContact CG1-CD2 4.4Å; I1193-W1227 HydrophobicContact CG2-CE3 4.13Å; I1193-W1227 HydrophobicContact CG2-CH2 4.47Å; I1193-W1227 HydrophobicContact CG2-CZ3 3.8Å; R1197-W1227 HydrophobicContact CB-CE3 4.33Å; R1197-W1227 WeakPolarHBondContact CD-O 3.41Å; R1197-W1227 HydrophobicContact CG-CE3 4.37Å; R1197-W1227 PolarHBondContact NH1-O 3.33Å; I1201-W1227 HydrophobicContact CB-CD2 4.27Å; I1201-W1227 HydrophobicContact CB-CE3 3.84Å; I1201-W1227 HydrophobicContact CB-CH2 4.26Å; I1201-W1227 HydrophobicContact CB-CZ3 3.84Å; I1201-W1227 HydrophobicContact CG1-CE3 4.24Å; I1201-W1227 HydrophobicContact CG1-CH2 3.79Å; I1201-W1227 HydrophobicContact CG1-CZ2 4.4Å; I1201-W1227 HydrophobicContact CG1-CZ3 3.69Å; I1201-W1227 HydrophobicContact CG2-CD2 3.43Å; I1201-W1227 VanDerWaalsContact CG2-CD2 3.43Å; I1201-W1227 HydrophobicContact CG2-CE3 3.54Å; I1201-W1227 HydrophobicContact CG2-CG 4.01Å; I1201-W1227 HydrophobicContact CG2-CH2 4Å; I1201-W1227 HydrophobicContact CG2-CZ2 3.91Å; I1201-W1227 HydrophobicContact CG2-CZ3 3.82Å; L1202-W1227 HydrophobicContact CD2-CB 3.99Å; L1205-W1227 HydrophobicContact CD1-CB 4.03Å; L1205-W1227 HydrophobicContact CD1-CG 3.86Å; A1223-W1227 PolarHBondContact O-N 3.35Å; R1224-W1227 PolarHBondContact O-N 2.97Å
1228L80.7Confident82.2Confident88 Ų8855.3 Ų55.346%0.46128%0.279SS..Hα-helixtrans-85.6-23.5171.9-74.2171.7000113.5L1202 R1224 L1226L1202-L1228 HydrophobicContact CD1-CD2 3.96Å; L1202-L1228 HydrophobicContact CD2-CD2 3.87Å; L1202-L1228 HydrophobicContact CD2-CG 4.02Å; R1224-L1228 HydrophobicContact CG-CD1 4.15Å; R1224-L1228 VanDerWaalsContact O-CG 3.32Å; R1224-L1228 WeakPolarHBondContact O-CG 3.13Å; R1224-L1228 PolarHBondContact O-N 2.99Å; L1226-L1228 VanDerWaalsContact C-N 3.3Å; L1226-L1228 PolarHBondContact O-N 3.2Å
1229I72.4Confident82.6Confident160 Ų16053.8 Ų53.882%0.82127%0.271SS*.  trans-75.20174-63.9164.4000109.1R1197 N1225 L1226R1197-I1229 PolarHBondContact NH1-OXT 2.78Å; R1197-I1229 PolarHBondContact NH2-OXT 3.13Å; R1197-I1229 VanDerWaalsContact NH2-OXT 3.15Å; N1225-I1229 WeakPolarHBondContact O-CD1 3.22Å; N1225-I1229 VanDerWaalsContact O-CG1 3.29Å; N1225-I1229 WeakPolarHBondContact O-CG1 3.19Å; N1225-I1229 PolarHBondContact O-N 3.07Å; L1226-I1229 PolarHBondContact O-N 2.81Å

Retrieved 1,229 of 1,229 residues in 610.5 ms (Link to these results)

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