A0A060XLI7_ONCMY Loading...

HAUS augmin-like complex, subunit 1

AlphaFold DB , UniProt , Accession A0A060XLI7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene haus1, Length 284 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
1M56.1Low83.8Confident170 Ų17091.3 Ų91.384%0.83745%0.445SS*.  0-42.40-87.6-161.6-138.200113.7E3 N5 T28M1-E3 PolarHBondContact O-N 2.68Å; M1-N5 PolarHBondContact O-N 3.42Å; M1-T28 HydrophobicContact CE-CG2 3.31Å; M1-T28 HydrophobicContact SD-CG2 3.97Å
2C70.9Confident84.5Confident82 Ų8284.7 Ų84.755%0.55441%0.413SS*.Hα-helixtrans-62.1-40.7-173.9-168.40000114.4K6C2-K6 VanDerWaalsContact O-CG 3.31Å; C2-K6 WeakPolarHBondContact O-CG 3.31Å; C2-K6 PolarHBondContact O-N 3.16Å; C2-K6 VanDerWaalsContact O-N 3.16Å; C2-K6 WeakPolarHBondContact SG-CE 3.48Å
3E81.4Confident84.9Confident162 Ų16282.8 Ų82.876%0.75741%0.414SS*.Hα-helixtrans-73.1-42.1-177.1-67.8-175.3157.600113.8M1 N5 K6 K7M1-E3 PolarHBondContact O-N 2.68Å; E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.46Å; E3-K6 PolarHBondContact O-N 2.61Å; E3-K7 PolarHBondContact O-N 3.46Å
4K86.5Confident85.2Confident81 Ų8184.4 Ų84.435%0.35243%0.431SS..Hα-helixtrans-59.9-44.4175.9-66.4-164.2-177.8-174.30111.4K6 K7 V8 V31 D32 Y35K4-K6 PolarHBondContact O-N 3.33Å; K4-K7 PolarHBondContact O-N 3.2Å; K4-V8 WeakPolarHBondContact O-CB 3.5Å; K4-V8 VanDerWaalsContact O-CG2 3.31Å; K4-V8 WeakPolarHBondContact O-CG2 3.34Å; K4-V8 PolarHBondContact O-N 3.29Å; K4-V31 HydrophobicContact CB-CG1 4.08Å; K4-D32 WeakPolarHBondContact CD-OD1 3.31Å; K4-D32 IonicContact NZ-OD1 2.68Å; K4-D32 PolarHBondContact NZ-OD1 2.97Å; K4-Y35 HydrophobicContact CB-CD2 3.66Å; K4-Y35 HydrophobicContact CB-CE2 4.18Å; K4-Y35 HydrophobicContact CB-CG 4.2Å; K4-Y35 HydrophobicContact CD-CD1 4.21Å; K4-Y35 HydrophobicContact CD-CD2 4.13Å; K4-Y35 HydrophobicContact CD-CG 3.98Å; K4-Y35 HydrophobicContact CG-CD2 3.67Å; K4-Y35 HydrophobicContact CG-CE2 3.82Å; K4-Y35 HydrophobicContact CG-CG 4.05Å
5N85.7Confident85.5Confident48 Ų4884.3 Ų84.326%0.25744%0.435SS..Hα-helixtrans-59.8-44.6175.1-81.9-12000112.1M1 E3 K7 V8 S9 V31M1-N5 PolarHBondContact O-N 3.42Å; E3-N5 VanDerWaalsContact C-N 3.33Å; E3-N5 PolarHBondContact O-N 3.46Å; N5-K7 PolarHBondContact O-N 3.05Å; N5-V8 PolarHBondContact O-N 3.42Å; N5-S9 WeakPolarHBondContact O-CB 3.37Å; N5-S9 PolarHBondContact O-N 3.44Å; N5-S9 PolarHBondContact O-OG 3.37Å; N5-S9 VanDerWaalsContact O-OG 3.05Å; N5-V31 WeakPolarHBondContact OD1-CG1 3.26Å; N5-V31 WeakPolarHBondContact OD1-CG2 3.49Å
6K88.3Confident85.8Confident140 Ų14082.8 Ų82.861%0.60942%0.424SS*.Hα-helixtrans-60.8-43.6176.9-73.8171.61781770112.2C2 E3 K4 K10C2-K6 VanDerWaalsContact O-CG 3.31Å; C2-K6 WeakPolarHBondContact O-CG 3.31Å; C2-K6 PolarHBondContact O-N 3.16Å; C2-K6 VanDerWaalsContact O-N 3.16Å; C2-K6 WeakPolarHBondContact SG-CE 3.48Å; E3-K6 PolarHBondContact O-N 2.61Å; K4-K6 PolarHBondContact O-N 3.33Å; K6-K10 WeakPolarHBondContact O-CB 3.45Å; K6-K10 PolarHBondContact O-N 2.92Å
7K89.7Confident85.8Confident66 Ų6680.9 Ų80.929%0.28743%0.43SS..Hα-helixtrans-64.6-44.3177.7-169.5171.9-176.9175.30111.2E3 K4 N5 K10 W11 Y35 E42E3-K7 PolarHBondContact O-N 3.46Å; K4-K7 PolarHBondContact O-N 3.2Å; N5-K7 PolarHBondContact O-N 3.05Å; K7-K10 PolarHBondContact O-N 2.86Å; K7-W11 WeakPolarHBondContact O-CB 3.47Å; K7-W11 PolarHBondContact O-N 3.02Å; K7-Y35 HydrophobicContact CB-CD2 4.29Å; K7-Y35 HydrophobicContact CB-CE2 4.1Å; K7-Y35 HydrophobicContact CD-CD2 4.31Å; K7-Y35 HydrophobicContact CD-CE2 3.61Å; K7-Y35 HydrophobicContact CG-CE2 4.29Å; K7-E42 WeakPolarHBondContact CE-OE2 3.42Å; K7-E42 IonicContact NZ-OE2 2.81Å; K7-E42 PolarHBondContact NZ-OE2 3.02Å
8V91.4Very high86Confident0 Ų086.2 Ų86.20%046%0.459CS..Hα-helixtrans-61.9-48.2176.3169.20000111.5K4 N5 K10 W11 L12 L34 Y35K4-V8 WeakPolarHBondContact O-CB 3.5Å; K4-V8 VanDerWaalsContact O-CG2 3.31Å; K4-V8 WeakPolarHBondContact O-CG2 3.34Å; K4-V8 PolarHBondContact O-N 3.29Å; N5-V8 PolarHBondContact O-N 3.42Å; V8-K10 VanDerWaalsContact C-N 3.35Å; V8-K10 PolarHBondContact O-N 3.44Å; V8-W11 PolarHBondContact O-N 2.97Å; V8-L12 HydrophobicContact CG1-CD1 3.71Å; V8-L12 HydrophobicContact CG1-CG 4.23Å; V8-L12 WeakPolarHBondContact O-CB 3.13Å; V8-L12 VanDerWaalsContact O-CG 3.26Å; V8-L12 WeakPolarHBondContact O-CG 3.25Å; V8-L12 PolarHBondContact O-N 3.22Å; V8-L34 HydrophobicContact CB-CB 4.48Å; V8-L34 HydrophobicContact CG1-CB 3.66Å; V8-L34 HydrophobicContact CG1-CD1 3.89Å; V8-L34 HydrophobicContact CG1-CG 4.4Å; V8-L34 HydrophobicContact CG2-CB 3.91Å; V8-Y35 HydrophobicContact CG2-CD2 4.47Å
9S88.8Confident86.2Confident61 Ų6189.4 Ų89.443%0.42747%0.471SS..Hα-helixtrans-61.6-41.5178.3-61.10000112.4N5 S13N5-S9 WeakPolarHBondContact O-CB 3.37Å; N5-S9 PolarHBondContact O-N 3.44Å; N5-S9 PolarHBondContact O-OG 3.37Å; N5-S9 VanDerWaalsContact O-OG 3.05Å; S9-S13 PolarHBondContact O-N 2.81Å
10K90.6Very high86.2Confident151 Ų15191.5 Ų91.566%0.65749%0.488SS*.Hα-helixtrans-63.6-48.9175.4-174.8180177.9-175.30111K6 K7 V8 L12 S13 T14K6-K10 WeakPolarHBondContact O-CB 3.45Å; K6-K10 PolarHBondContact O-N 2.92Å; K7-K10 PolarHBondContact O-N 2.86Å; V8-K10 VanDerWaalsContact C-N 3.35Å; V8-K10 PolarHBondContact O-N 3.44Å; K10-L12 PolarHBondContact O-N 3.39Å; K10-S13 PolarHBondContact O-N 3.11Å; K10-S13 PolarHBondContact O-OG 3.3Å; K10-T14 PolarHBondContact O-N 3.01Å; K10-T14 PolarHBondContact O-OG1 2.82Å; K10-T14 VanDerWaalsContact O-OG1 3.11Å
11W92.7Very high86.3Confident43 Ų4390.4 Ų90.416%0.16348%0.481CS..Hα-helixtrans-59.9-45.1178.2172.571.1000112K7 V8 S13 T14 V15 L34 L37 A38 S41K7-W11 WeakPolarHBondContact O-CB 3.47Å; K7-W11 PolarHBondContact O-N 3.02Å; V8-W11 PolarHBondContact O-N 2.97Å; W11-S13 VanDerWaalsContact C-N 3.34Å; W11-S13 PolarHBondContact O-N 3.01Å; W11-T14 WeakPolarHBondContact O-CB 3.17Å; W11-T14 PolarHBondContact O-N 3.25Å; W11-T14 VanDerWaalsContact O-N 3.09Å; W11-V15 HydrophobicContact CD2-CG2 4.14Å; W11-V15 HydrophobicContact CG-CG2 4.35Å; W11-V15 HydrophobicContact CZ2-CG2 3.91Å; W11-V15 WeakPolarHBondContact O-CG2 3.16Å; W11-V15 PolarHBondContact O-N 2.97Å; W11-L34 HydrophobicContact CZ3-CD2 4.3Å; W11-L37 HydrophobicContact CH2-CB 4.18Å; W11-L37 HydrophobicContact CH2-CD2 3.51Å; W11-L37 HydrophobicContact CH2-CG 3.56Å; W11-L37 HydrophobicContact CZ2-CD2 4.31Å; W11-L37 HydrophobicContact CZ2-CG 3.96Å; W11-L37 HydrophobicContact CZ3-CD2 4.28Å; W11-L37 HydrophobicContact CZ3-CG 4.39Å; W11-A38 HydrophobicContact CB-CB 3.78Å; W11-A38 HydrophobicContact CD2-CB 3.47Å; W11-A38 VanDerWaalsContact CD2-CB 3.47Å; W11-A38 HydrophobicContact CE3-CB 3.73Å; W11-A38 HydrophobicContact CG-CB 3.48Å; W11-A38 VanDerWaalsContact CG-CB 3.48Å; W11-S41 PolarHBondContact NE1-OG 3.48Å
12L91.5Very high87.9Confident12 Ų1286 Ų866%0.06347%0.465CS..Hα-helixtrans-59.7-43.1175.1-70170.2000111.5V8 K10 T14 V15 F16 I21 Y24V8-L12 HydrophobicContact CG1-CD1 3.71Å; V8-L12 HydrophobicContact CG1-CG 4.23Å; V8-L12 WeakPolarHBondContact O-CB 3.13Å; V8-L12 VanDerWaalsContact O-CG 3.26Å; V8-L12 WeakPolarHBondContact O-CG 3.25Å; V8-L12 PolarHBondContact O-N 3.22Å; K10-L12 PolarHBondContact O-N 3.39Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 PolarHBondContact O-N 2.83Å; L12-V15 PolarHBondContact O-N 3.4Å; L12-F16 HydrophobicContact CB-CD2 4.49Å; L12-F16 HydrophobicContact CD2-CD2 4.33Å; L12-F16 HydrophobicContact CD2-CE2 3.87Å; L12-F16 WeakPolarHBondContact O-CB 3.29Å; L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.28Å; L12-F16 PolarHBondContact O-N 3.34Å; L12-I21 HydrophobicContact CB-CD1 3.88Å; L12-I21 HydrophobicContact CB-CG1 4.36Å; L12-I21 HydrophobicContact CB-CG2 4.33Å; L12-I21 HydrophobicContact CD1-CG2 4.26Å; L12-Y24 HydrophobicContact CD1-CE1 3.69Å
13S89.8Confident88.7Confident60 Ų6091.7 Ų91.742%0.4248%0.484SS..Hα-helixtrans-61.7-34.9175.472.50000112.9S9 K10 W11 G17S9-S13 PolarHBondContact O-N 2.81Å; K10-S13 PolarHBondContact O-N 3.11Å; K10-S13 PolarHBondContact O-OG 3.3Å; W11-S13 VanDerWaalsContact C-N 3.34Å; W11-S13 PolarHBondContact O-N 3.01Å; S13-G17 WeakPolarHBondContact O-CA 3.45Å; S13-G17 PolarHBondContact O-N 3.45Å
14T89.7Confident89Confident106 Ų10687.8 Ų87.865%0.6546%0.463SS*.Hα-helixtrans-73-39.3176.3-540000112.2K10 W11 L12K10-T14 PolarHBondContact O-N 3.01Å; K10-T14 PolarHBondContact O-OG1 2.82Å; K10-T14 VanDerWaalsContact O-OG1 3.11Å; W11-T14 WeakPolarHBondContact O-CB 3.17Å; W11-T14 PolarHBondContact O-N 3.25Å; W11-T14 VanDerWaalsContact O-N 3.09Å; L12-T14 VanDerWaalsContact C-N 3.27Å; L12-T14 PolarHBondContact O-N 2.83Å
15V89.2Confident89.1Confident82 Ų8290.6 Ų90.650%0.49748%0.477SS..Hα-helixtrans-70.3-41.5-179.6170.80000111.8W11 L12W11-V15 HydrophobicContact CD2-CG2 4.14Å; W11-V15 HydrophobicContact CG-CG2 4.35Å; W11-V15 HydrophobicContact CZ2-CG2 3.91Å; W11-V15 WeakPolarHBondContact O-CG2 3.16Å; W11-V15 PolarHBondContact O-N 2.97Å; L12-V15 PolarHBondContact O-N 3.4Å
16F90Very high89.1Confident60 Ų6092.9 Ų92.926%0.26349%0.493SS..Hα-helixtrans-87.5-18.6-178.6-73.1-81.9000113.2L12 D18 Q19 I21 P22L12-F16 HydrophobicContact CB-CD2 4.49Å; L12-F16 HydrophobicContact CD2-CD2 4.33Å; L12-F16 HydrophobicContact CD2-CE2 3.87Å; L12-F16 WeakPolarHBondContact O-CB 3.29Å; L12-F16 VanDerWaalsContact O-CD2 3.29Å; L12-F16 WeakPolarHBondContact O-CD2 3.28Å; L12-F16 PolarHBondContact O-N 3.34Å; F16-D18 PolarHBondContact O-N 2.9Å; F16-Q19 HydrophobicContact CB-CB 4.39Å; F16-Q19 VanDerWaalsContact O-CB 3.29Å; F16-Q19 WeakPolarHBondContact O-CB 3.44Å; F16-Q19 PolarHBondContact O-N 3.43Å; F16-I21 HydrophobicContact CB-CG1 4.2Å; F16-I21 HydrophobicContact CD2-CG1 4.08Å; F16-I21 HydrophobicContact CD2-CG2 4.46Å; F16-I21 HydrophobicContact CG-CG1 4.3Å; F16-P22 HydrophobicContact CE1-CG 4.02Å; F16-P22 HydrophobicContact CZ-CG 4.07Å
17G87.1Confident89.3Confident51 Ų5188.5 Ų88.553%0.52648%0.476SS..THydrogen-bonded Turntrans58-118.9178.600000111.4S13 Q19S13-G17 WeakPolarHBondContact O-CA 3.45Å; S13-G17 PolarHBondContact O-N 3.45Å; G17-Q19 VanDerWaalsContact C-N 3.3Å
18D88.7Confident89.2Confident177 Ų17789.2 Ų89.295%0.94749%0.486SS*.THydrogen-bonded Turntrans-81.5-5.5178.1-60.1-35.3000113.6F16F16-D18 PolarHBondContact O-N 2.9Å
19Q90.1Very high89.2Confident146 Ų14698.3 Ų98.368%0.68252%0.52SS*.SBendtrans-81.6147.3178.9-59.2-179.37.800111.4F16 G17 I21F16-Q19 HydrophobicContact CB-CB 4.39Å; F16-Q19 VanDerWaalsContact O-CB 3.29Å; F16-Q19 WeakPolarHBondContact O-CB 3.44Å; F16-Q19 PolarHBondContact O-N 3.43Å; G17-Q19 VanDerWaalsContact C-N 3.3Å; Q19-I21 PolarHBondContact O-N 2.99Å
20T86.4Confident89.3Confident131 Ų13197.2 Ų97.280%0.80451%0.511SS*.PPolyproline II helixtrans-66.8125.3175.253.50000110.4P22T20-P22 WeakPolarHBondContact O-CD 3Å
21I88.3Confident89.3Confident70 Ų7090.4 Ų90.436%0.35948%0.482SS..PPolyproline II helixtrans-63124.6174.6-60.2167.2000108.4L12 F16 Q19 Y24L12-I21 HydrophobicContact CB-CD1 3.88Å; L12-I21 HydrophobicContact CB-CG1 4.36Å; L12-I21 HydrophobicContact CB-CG2 4.33Å; L12-I21 HydrophobicContact CD1-CG2 4.26Å; F16-I21 HydrophobicContact CB-CG1 4.2Å; F16-I21 HydrophobicContact CD2-CG1 4.08Å; F16-I21 HydrophobicContact CD2-CG2 4.46Å; F16-I21 HydrophobicContact CG-CG1 4.3Å; Q19-I21 PolarHBondContact O-N 2.99Å; I21-Y24 HydrophobicContact CG2-CE1 4.38Å
22P89.5Confident89.3Confident76 Ų7691.3 Ų91.349%0.49449%0.49SS..PPolyproline II helixtrans-57.4142.7176.6-25.334.5000112F16 T20 Y24F16-P22 HydrophobicContact CE1-CG 4.02Å; F16-P22 HydrophobicContact CZ-CG 4.07Å; T20-P22 WeakPolarHBondContact O-CD 3Å; P22-Y24 WeakPolarHBondContact O-CD1 2.98Å; P22-Y24 PolarHBondContact O-N 3.27Å
23E86.9Confident89.4Confident203 Ų20395.1 Ų95.195%0.94951%0.509SS*.PPolyproline II helixtrans-61.7132.9175-66.3-17617600110.5
24Y87.6Confident89.5Confident80 Ų8093.8 Ų93.831%0.31450%0.497SS..  trans-138.9153.9177.667.1-86.9000110.7L12 I21 P22 V26 T30 L34L12-Y24 HydrophobicContact CD1-CE1 3.69Å; I21-Y24 HydrophobicContact CG2-CE1 4.38Å; P22-Y24 WeakPolarHBondContact O-CD1 2.98Å; P22-Y24 PolarHBondContact O-N 3.27Å; Y24-V26 HydrophobicContact CD2-CG2 4.26Å; Y24-V26 HydrophobicContact CE2-CG2 3.82Å; Y24-V26 PolarHBondContact O-N 2.85Å; Y24-T30 HydrophobicContact CD2-CG2 3.99Å; Y24-L34 HydrophobicContact CD2-CD1 3.85Å; Y24-L34 HydrophobicContact CE2-CD1 3.66Å; Y24-L34 HydrophobicContact CG-CD1 4.48Å
25E89.4Confident89.7Confident140 Ų14090.9 Ų90.965%0.65448%0.475SS*.  trans-74113.9179.6-166.6-166.8150.300110.9N27 T30E25-N27 VanDerWaalsContact C-N 3.3Å; E25-N27 PolarHBondContact O-N 3.29Å; E25-N27 PolarHBondContact OE1-ND2 2.63Å; E25-N27 PolarHBondContact OE2-ND2 3.2Å; E25-T30 WeakPolarHBondContact O-CB 3.34Å; E25-T30 VanDerWaalsContact O-CG2 3.29Å; E25-T30 WeakPolarHBondContact O-CG2 3.36Å; E25-T30 PolarHBondContact O-OG1 3.22Å
26V86.1Confident90Very high96 Ų9693.1 Ų93.158%0.58248%0.48SS*.  trans-82.176178.7-169.80000110.1Y24 V31Y24-V26 HydrophobicContact CD2-CG2 4.26Å; Y24-V26 HydrophobicContact CE2-CG2 3.82Å; Y24-V26 PolarHBondContact O-N 2.85Å; V26-V31 HydrophobicContact CG1-CG2 4.04Å
27N90.8Very high90.1Very high47 Ų4794 Ų9425%0.25149%0.487SS..  trans-112.8165.3169.672.846.1000111.1E25 R29 T30 V31E25-N27 VanDerWaalsContact C-N 3.3Å; E25-N27 PolarHBondContact O-N 3.29Å; E25-N27 PolarHBondContact OE1-ND2 2.63Å; E25-N27 PolarHBondContact OE2-ND2 3.2Å; N27-R29 VanDerWaalsContact C-N 3.3Å; N27-R29 PolarHBondContact O-N 2.97Å; N27-R29 WeakPolarHBondContact OD1-CB 3.29Å; N27-R29 PolarHBondContact OD1-N 2.8Å; N27-R29 VanDerWaalsContact OD1-N 3.11Å; N27-T30 PolarHBondContact ND2-OG1 3.02Å; N27-T30 PolarHBondContact O-N 3.42Å; N27-T30 PolarHBondContact OD1-N 3.11Å; N27-T30 PolarHBondContact OD1-OG1 2.99Å; N27-V31 VanDerWaalsContact O-CG2 3.28Å; N27-V31 WeakPolarHBondContact O-CG2 3.19Å; N27-V31 PolarHBondContact O-N 3.46Å
28T88.9Confident90.4Very high82 Ų8291.6 Ų91.650%0.50346%0.462SS..Hα-helixtrans-56.9-41.6-17644.90000113.1M1 D32M1-T28 HydrophobicContact CE-CG2 3.31Å; M1-T28 HydrophobicContact SD-CG2 3.97Å; T28-D32 WeakPolarHBondContact O-CB 3.42Å; T28-D32 PolarHBondContact O-N 3.34Å
29R90.9Very high90.6Very high191 Ų19186.8 Ų86.872%0.72143%0.434SS*.Hα-helixtrans-64.9-47.2178.7-179.6-179.1177.5-175.2-0.5111.5N27 D32 I33N27-R29 VanDerWaalsContact C-N 3.3Å; N27-R29 PolarHBondContact O-N 2.97Å; N27-R29 WeakPolarHBondContact OD1-CB 3.29Å; N27-R29 PolarHBondContact OD1-N 2.8Å; N27-R29 VanDerWaalsContact OD1-N 3.11Å; R29-D32 PolarHBondContact O-N 3.42Å; R29-I33 HydrophobicContact CG-CD1 4.01Å; R29-I33 VanDerWaalsContact O-CG1 3.29Å; R29-I33 WeakPolarHBondContact O-CG1 3.43Å; R29-I33 PolarHBondContact O-N 3.35Å; R29-I33 VanDerWaalsContact O-N 3.07Å
30T90.3Very high90.7Very high37 Ų3782 Ų8223%0.22742%0.419CS..Hα-helixtrans-63.6-44.1179.8-54.50000110.9Y24 E25 N27 D32 I33 L34Y24-T30 HydrophobicContact CD2-CG2 3.99Å; E25-T30 WeakPolarHBondContact O-CB 3.34Å; E25-T30 VanDerWaalsContact O-CG2 3.29Å; E25-T30 WeakPolarHBondContact O-CG2 3.36Å; E25-T30 PolarHBondContact O-OG1 3.22Å; N27-T30 PolarHBondContact ND2-OG1 3.02Å; N27-T30 PolarHBondContact O-N 3.42Å; N27-T30 PolarHBondContact OD1-N 3.11Å; N27-T30 PolarHBondContact OD1-OG1 2.99Å; T30-D32 PolarHBondContact O-N 2.96Å; T30-I33 PolarHBondContact O-N 3.41Å; T30-L34 HydrophobicContact CG2-CD1 3.95Å; T30-L34 HydrophobicContact CG2-CG 4.39Å; T30-L34 WeakPolarHBondContact O-CB 3.42Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.36Å; T30-L34 PolarHBondContact O-N 3.37Å
31V91.8Very high91Very high8 Ų876.5 Ų76.55%0.04839%0.386CS..Hα-helixtrans-62.8-42.3177.8169.50000111.6K4 N5 V26 N27 L34 Y35K4-V31 HydrophobicContact CB-CG1 4.08Å; N5-V31 WeakPolarHBondContact OD1-CG1 3.26Å; N5-V31 WeakPolarHBondContact OD1-CG2 3.49Å; V26-V31 HydrophobicContact CG1-CG2 4.04Å; N27-V31 VanDerWaalsContact O-CG2 3.28Å; N27-V31 WeakPolarHBondContact O-CG2 3.19Å; N27-V31 PolarHBondContact O-N 3.46Å; V31-L34 PolarHBondContact O-N 3.36Å; V31-Y35 WeakPolarHBondContact O-CB 3.29Å; V31-Y35 PolarHBondContact O-N 3.07Å
32D92.9Very high91.1Very high62 Ų6277.4 Ų77.433%0.33239%0.389SS..Hα-helixtrans-66.5-39178.7-81.7-27.4000112.1K4 T28 R29 T30 Y35 Q36K4-D32 WeakPolarHBondContact CD-OD1 3.31Å; K4-D32 IonicContact NZ-OD1 2.68Å; K4-D32 PolarHBondContact NZ-OD1 2.97Å; T28-D32 WeakPolarHBondContact O-CB 3.42Å; T28-D32 PolarHBondContact O-N 3.34Å; R29-D32 PolarHBondContact O-N 3.42Å; T30-D32 PolarHBondContact O-N 2.96Å; D32-Y35 PolarHBondContact O-N 2.92Å; D32-Q36 WeakPolarHBondContact O-CG 3.38Å; D32-Q36 PolarHBondContact O-N 3.42Å
33I93.1Very high91.2Very high93 Ų9377.6 Ų77.648%0.47739%0.388SS..Hα-helixtrans-64.1-48.4174.7-67.7166.1000110.7R29 T30 Y35 Q36 L37R29-I33 HydrophobicContact CG-CD1 4.01Å; R29-I33 VanDerWaalsContact O-CG1 3.29Å; R29-I33 WeakPolarHBondContact O-CG1 3.43Å; R29-I33 PolarHBondContact O-N 3.35Å; R29-I33 VanDerWaalsContact O-N 3.07Å; T30-I33 PolarHBondContact O-N 3.41Å; I33-Y35 VanDerWaalsContact C-N 3.27Å; I33-Y35 PolarHBondContact O-N 3.19Å; I33-Q36 PolarHBondContact O-N 2.93Å; I33-L37 WeakPolarHBondContact O-CB 3.25Å; I33-L37 PolarHBondContact O-N 2.9Å
34L92.7Very high91.3Very high31 Ų3174.7 Ų74.716%0.16237%0.369CS..Hα-helixtrans-64.4-34.5178.4-70.1173.7000111.9V8 W11 Y24 T30 V31 L37 A38V8-L34 HydrophobicContact CB-CB 4.48Å; V8-L34 HydrophobicContact CG1-CB 3.66Å; V8-L34 HydrophobicContact CG1-CD1 3.89Å; V8-L34 HydrophobicContact CG1-CG 4.4Å; V8-L34 HydrophobicContact CG2-CB 3.91Å; W11-L34 HydrophobicContact CZ3-CD2 4.3Å; Y24-L34 HydrophobicContact CD2-CD1 3.85Å; Y24-L34 HydrophobicContact CE2-CD1 3.66Å; Y24-L34 HydrophobicContact CG-CD1 4.48Å; T30-L34 HydrophobicContact CG2-CD1 3.95Å; T30-L34 HydrophobicContact CG2-CG 4.39Å; T30-L34 WeakPolarHBondContact O-CB 3.42Å; T30-L34 VanDerWaalsContact O-CG 3.3Å; T30-L34 WeakPolarHBondContact O-CG 3.36Å; T30-L34 PolarHBondContact O-N 3.37Å; V31-L34 PolarHBondContact O-N 3.36Å; L34-L37 PolarHBondContact O-N 2.87Å; L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 2.84Å
35Y93.4Very high91.5Very high45 Ų4573.9 Ų73.918%0.17637%0.374CS..Hα-helixtrans-65.8-46.6176.3179.8-89.3000111.6K4 K7 V8 V31 D32 I33 L37 A38 E39K4-Y35 HydrophobicContact CB-CD2 3.66Å; K4-Y35 HydrophobicContact CB-CE2 4.18Å; K4-Y35 HydrophobicContact CB-CG 4.2Å; K4-Y35 HydrophobicContact CD-CD1 4.21Å; K4-Y35 HydrophobicContact CD-CD2 4.13Å; K4-Y35 HydrophobicContact CD-CG 3.98Å; K4-Y35 HydrophobicContact CG-CD2 3.67Å; K4-Y35 HydrophobicContact CG-CE2 3.82Å; K4-Y35 HydrophobicContact CG-CG 4.05Å; K7-Y35 HydrophobicContact CB-CD2 4.29Å; K7-Y35 HydrophobicContact CB-CE2 4.1Å; K7-Y35 HydrophobicContact CD-CD2 4.31Å; K7-Y35 HydrophobicContact CD-CE2 3.61Å; K7-Y35 HydrophobicContact CG-CE2 4.29Å; V8-Y35 HydrophobicContact CG2-CD2 4.47Å; V31-Y35 WeakPolarHBondContact O-CB 3.29Å; V31-Y35 PolarHBondContact O-N 3.07Å; D32-Y35 PolarHBondContact O-N 2.92Å; I33-Y35 VanDerWaalsContact C-N 3.27Å; I33-Y35 PolarHBondContact O-N 3.19Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.01Å; Y35-A38 WeakPolarHBondContact O-CB 3.33Å; Y35-A38 PolarHBondContact O-N 3.28Å; Y35-E39 HydrophobicContact CD1-CG 4.4Å; Y35-E39 HydrophobicContact CE1-CG 3.89Å; Y35-E39 WeakPolarHBondContact CE1-OE1 3.31Å; Y35-E39 VanDerWaalsContact CE1-OE2 3.25Å; Y35-E39 WeakPolarHBondContact CE1-OE2 3.3Å; Y35-E39 PolarHBondContact O-N 3.42Å; Y35-E39 PolarHBondContact OH-OE1 3.39Å
36Q94.4Very high91.6Very high129 Ų12971.5 Ų71.560%0.60337%0.366SS*.Hα-helixtrans-61.4-40174.6-72.5176.15.800111.6D32 I33 A38 E39 A40D32-Q36 WeakPolarHBondContact O-CG 3.38Å; D32-Q36 PolarHBondContact O-N 3.42Å; I33-Q36 PolarHBondContact O-N 2.93Å; Q36-A38 VanDerWaalsContact C-N 3.34Å; Q36-E39 PolarHBondContact O-N 3.23Å; Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 3.35Å
37L92.9Very high92Very high79 Ų7972.8 Ų72.841%0.41437%0.366SS..Hα-helixtrans-65.3-39.2176.6-173.760.3000111.8W11 I33 L34 Y35 S41W11-L37 HydrophobicContact CH2-CB 4.18Å; W11-L37 HydrophobicContact CH2-CD2 3.51Å; W11-L37 HydrophobicContact CH2-CG 3.56Å; W11-L37 HydrophobicContact CZ2-CD2 4.31Å; W11-L37 HydrophobicContact CZ2-CG 3.96Å; W11-L37 HydrophobicContact CZ3-CD2 4.28Å; W11-L37 HydrophobicContact CZ3-CG 4.39Å; I33-L37 WeakPolarHBondContact O-CB 3.25Å; I33-L37 PolarHBondContact O-N 2.9Å; L34-L37 PolarHBondContact O-N 2.87Å; Y35-L37 VanDerWaalsContact C-N 3.29Å; Y35-L37 PolarHBondContact O-N 3.01Å; L37-S41 WeakPolarHBondContact O-CB 3.43Å; L37-S41 PolarHBondContact O-N 3.43Å
38A93.1Very high92.1Very high1 Ų174.2 Ų74.21%0.00838%0.376CS..Hα-helixtrans-63-46.8174.800000111.9W11 L34 Y35 Q36 S41 E42W11-A38 HydrophobicContact CB-CB 3.78Å; W11-A38 HydrophobicContact CD2-CB 3.47Å; W11-A38 VanDerWaalsContact CD2-CB 3.47Å; W11-A38 HydrophobicContact CE3-CB 3.73Å; W11-A38 HydrophobicContact CG-CB 3.48Å; W11-A38 VanDerWaalsContact CG-CB 3.48Å; L34-A38 WeakPolarHBondContact O-CB 3.33Å; L34-A38 PolarHBondContact O-N 2.84Å; Y35-A38 WeakPolarHBondContact O-CB 3.33Å; Y35-A38 PolarHBondContact O-N 3.28Å; Q36-A38 VanDerWaalsContact C-N 3.34Å; A38-S41 PolarHBondContact O-N 3.15Å; A38-E42 VanDerWaalsContact O-CB 3.29Å; A38-E42 WeakPolarHBondContact O-CB 3.36Å; A38-E42 PolarHBondContact O-N 2.69Å
39E93.2Very high92.4Very high75 Ų7573.6 Ų73.635%0.3538%0.375SS..Hα-helixtrans-62.2-47.1176-72.2-174.6145.300111.8Y35 Q36 S41 E42 V43Y35-E39 HydrophobicContact CD1-CG 4.4Å; Y35-E39 HydrophobicContact CE1-CG 3.89Å; Y35-E39 WeakPolarHBondContact CE1-OE1 3.31Å; Y35-E39 VanDerWaalsContact CE1-OE2 3.25Å; Y35-E39 WeakPolarHBondContact CE1-OE2 3.3Å; Y35-E39 PolarHBondContact O-N 3.42Å; Y35-E39 PolarHBondContact OH-OE1 3.39Å; Q36-E39 PolarHBondContact O-N 3.23Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 2.91Å; E39-E42 PolarHBondContact O-N 2.86Å; E39-V43 WeakPolarHBondContact O-CG2 3.44Å; E39-V43 PolarHBondContact O-N 3.17Å
40A91.9Very high92.6Very high45 Ų4569.8 Ų69.837%0.37237%0.369SS..Hα-helixtrans-62.7-38.9177.700000111.9Q36 R44Q36-A40 WeakPolarHBondContact O-CB 3.4Å; Q36-A40 PolarHBondContact O-N 3.35Å; A40-R44 VanDerWaalsContact O-CG 3.31Å; A40-R44 WeakPolarHBondContact O-CG 3.45Å; A40-R44 PolarHBondContact O-N 3.47Å
41S91.9Very high92.9Very high17 Ų1773.5 Ų73.512%0.11939%0.387CS..Hα-helixtrans-64.9-46.4175.3-174.40000111.4W11 L37 A38 E39 R44 C45W11-S41 PolarHBondContact NE1-OG 3.48Å; L37-S41 WeakPolarHBondContact O-CB 3.43Å; L37-S41 PolarHBondContact O-N 3.43Å; A38-S41 PolarHBondContact O-N 3.15Å; E39-S41 VanDerWaalsContact C-N 3.3Å; E39-S41 PolarHBondContact O-N 2.91Å; S41-R44 PolarHBondContact O-N 3.35Å; S41-C45 VanDerWaalsContact O-CB 3.25Å; S41-C45 WeakPolarHBondContact O-CB 3.19Å; S41-C45 PolarHBondContact O-N 3.48Å; S41-C45 PolarHBondContact O-SG 2.9Å
42E91.3Very high93Very high89 Ų8977.1 Ų77.142%0.41641%0.405SS..Hα-helixtrans-59.7-47.6-179.7-178174.6-158.100111.3K7 A38 E39 C45 N46K7-E42 WeakPolarHBondContact CE-OE2 3.42Å; K7-E42 IonicContact NZ-OE2 2.81Å; K7-E42 PolarHBondContact NZ-OE2 3.02Å; A38-E42 VanDerWaalsContact O-CB 3.29Å; A38-E42 WeakPolarHBondContact O-CB 3.36Å; A38-E42 PolarHBondContact O-N 2.69Å; E39-E42 PolarHBondContact O-N 2.86Å; E42-C45 PolarHBondContact O-N 3.41Å; E42-N46 WeakPolarHBondContact O-CB 3.5Å; E42-N46 PolarHBondContact O-N 3.27Å; E42-N46 PolarHBondContact O-ND2 3.26Å
43V91.6Very high93.2Very high79 Ų7980.2 Ų80.248%0.47942%0.417SS..Hα-helixtrans-59.4-52177.2173.10000111.2E39 C45 N46 E47E39-V43 WeakPolarHBondContact O-CG2 3.44Å; E39-V43 PolarHBondContact O-N 3.17Å; V43-C45 VanDerWaalsContact C-N 3.34Å; V43-C45 PolarHBondContact O-N 2.95Å; V43-N46 PolarHBondContact O-N 2.93Å; V43-E47 WeakPolarHBondContact O-CG 3.49Å; V43-E47 PolarHBondContact O-N 2.86Å
44R89.8Confident93.4Very high142 Ų14278.6 Ų78.654%0.53641%0.409SS..Hα-helixtrans-61.6-40.7178.8-69.7-176.4-36.5-152.22112.7A40 S41 N46 E47 T48A40-R44 VanDerWaalsContact O-CG 3.31Å; A40-R44 WeakPolarHBondContact O-CG 3.45Å; A40-R44 PolarHBondContact O-N 3.47Å; S41-R44 PolarHBondContact O-N 3.35Å; R44-N46 VanDerWaalsContact C-N 3.34Å; R44-E47 PolarHBondContact O-N 3.41Å; R44-T48 WeakPolarHBondContact O-CB 3.29Å; R44-T48 PolarHBondContact O-N 2.94Å; R44-T48 PolarHBondContact O-OG1 3.34Å
45C90.6Very high93.5Very high64 Ų6482.2 Ų82.243%0.43243%0.426SS..Hα-helixtrans-64.9-40.6178.6-74.50000110.9S41 E42 V43 T48 S49S41-C45 VanDerWaalsContact O-CB 3.25Å; S41-C45 WeakPolarHBondContact O-CB 3.19Å; S41-C45 PolarHBondContact O-N 3.48Å; S41-C45 PolarHBondContact O-SG 2.9Å; E42-C45 PolarHBondContact O-N 3.41Å; V43-C45 VanDerWaalsContact C-N 3.34Å; V43-C45 PolarHBondContact O-N 2.95Å; C45-T48 PolarHBondContact O-N 3.48Å; C45-S49 WeakPolarHBondContact O-CB 3.29Å; C45-S49 PolarHBondContact O-N 2.81Å; C45-S49 PolarHBondContact O-OG 3.34Å
46N92.3Very high93.7Very high90 Ų9087.1 Ų87.148%0.48145%0.448SS..Hα-helixtrans-64.7-46.6175.2-71.3-16.6000111.7E42 V43 R44 T48 S49 L50E42-N46 WeakPolarHBondContact O-CB 3.5Å; E42-N46 PolarHBondContact O-N 3.27Å; E42-N46 PolarHBondContact O-ND2 3.26Å; V43-N46 PolarHBondContact O-N 2.93Å; R44-N46 VanDerWaalsContact C-N 3.34Å; N46-T48 VanDerWaalsContact C-N 3.34Å; N46-T48 PolarHBondContact O-N 3.42Å; N46-S49 PolarHBondContact O-N 3.09Å; N46-S49 VanDerWaalsContact O-N 3.15Å; N46-L50 WeakPolarHBondContact O-CG 3.32Å; N46-L50 PolarHBondContact O-N 2.88Å
47E93.6Very high93.8Very high123 Ų12386.3 Ų86.358%0.57544%0.444SS*.Hα-helixtrans-58.4-45.4175.6-73.4174.517200111.9V43 R44 S49 L50 L51V43-E47 WeakPolarHBondContact O-CG 3.49Å; V43-E47 PolarHBondContact O-N 2.86Å; R44-E47 PolarHBondContact O-N 3.41Å; E47-S49 VanDerWaalsContact C-N 3.3Å; E47-S49 PolarHBondContact O-N 2.93Å; E47-L50 PolarHBondContact O-N 3.2Å; E47-L51 WeakPolarHBondContact O-CB 3.17Å; E47-L51 PolarHBondContact O-N 2.9Å
48T93.4Very high93.9Very high77 Ų7786.3 Ų86.347%0.47244%0.441SS..Hα-helixtrans-63.2-39.6176.9-52.90000111R44 C45 N46 L51 I52R44-T48 WeakPolarHBondContact O-CB 3.29Å; R44-T48 PolarHBondContact O-N 2.94Å; R44-T48 PolarHBondContact O-OG1 3.34Å; C45-T48 PolarHBondContact O-N 3.48Å; N46-T48 VanDerWaalsContact C-N 3.34Å; N46-T48 PolarHBondContact O-N 3.42Å; T48-L51 PolarHBondContact O-N 3.31Å; T48-I52 HydrophobicContact CG2-CD1 4.05Å; T48-I52 VanDerWaalsContact O-CG1 3.24Å; T48-I52 WeakPolarHBondContact O-CG1 3.43Å; T48-I52 PolarHBondContact O-N 3.44Å
49S94.7Very high94Very high68 Ų6889.8 Ų89.848%0.47646%0.462SS..Hα-helixtrans-66.7-43.2179.7-59.20000111.8C45 N46 E47 I52 E53C45-S49 WeakPolarHBondContact O-CB 3.29Å; C45-S49 PolarHBondContact O-N 2.81Å; C45-S49 PolarHBondContact O-OG 3.34Å; N46-S49 PolarHBondContact O-N 3.09Å; N46-S49 VanDerWaalsContact O-N 3.15Å; E47-S49 VanDerWaalsContact C-N 3.3Å; E47-S49 PolarHBondContact O-N 2.93Å; S49-I52 PolarHBondContact O-N 3.18Å; S49-E53 PolarHBondContact O-N 2.67Å
50L95.8Very high94.1Very high112 Ų11289.8 Ų89.859%0.58647%0.47SS*.Hα-helixtrans-61.8-42.4174.2-73.3169.8000111.7N46 E47 I52 E53 D54N46-L50 WeakPolarHBondContact O-CG 3.32Å; N46-L50 PolarHBondContact O-N 2.88Å; E47-L50 PolarHBondContact O-N 3.2Å; L50-I52 VanDerWaalsContact C-N 3.33Å; L50-I52 PolarHBondContact O-N 2.72Å; L50-E53 PolarHBondContact O-N 2.98Å; L50-D54 WeakPolarHBondContact O-CB 3.37Å; L50-D54 PolarHBondContact O-N 2.99Å
51L96Very high94.3Very high115 Ų11592.2 Ų92.260%0.60247%0.474SS*.Hα-helixtrans-62.7-40.1175.9-177.165.4000111.9E47 T48 Q55E47-L51 WeakPolarHBondContact O-CB 3.17Å; E47-L51 PolarHBondContact O-N 2.9Å; T48-L51 PolarHBondContact O-N 3.31Å; L51-Q55 WeakPolarHBondContact O-CB 3.41Å; L51-Q55 PolarHBondContact O-N 2.89Å
52I95.9Very high94.3Very high84 Ų8499.7 Ų99.743%0.43150%0.501SS..Hα-helixtrans-64-42.9175.5-70.7164.9000110.7T48 S49 L50 Q55 K56T48-I52 HydrophobicContact CG2-CD1 4.05Å; T48-I52 VanDerWaalsContact O-CG1 3.24Å; T48-I52 WeakPolarHBondContact O-CG1 3.43Å; T48-I52 PolarHBondContact O-N 3.44Å; S49-I52 PolarHBondContact O-N 3.18Å; L50-I52 VanDerWaalsContact C-N 3.33Å; L50-I52 PolarHBondContact O-N 2.72Å; I52-Q55 PolarHBondContact O-N 3.18Å; I52-K56 HydrophobicContact CG2-CD 4.16Å; I52-K56 WeakPolarHBondContact O-CB 3.39Å; I52-K56 VanDerWaalsContact O-CG 3.3Å; I52-K56 WeakPolarHBondContact O-CG 3.47Å; I52-K56 PolarHBondContact O-N 2.92Å
53E96.7Very high94.4Very high126 Ų126102 Ų10259%0.58951%0.511SS*.Hα-helixtrans-65.1-46.7179.1-172.1169.3-162.600111.8S49 L50 Q55 K56 Q57S49-E53 PolarHBondContact O-N 2.67Å; L50-E53 PolarHBondContact O-N 2.98Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.26Å; E53-K56 WeakPolarHBondContact O-CB 3.48Å; E53-K56 PolarHBondContact O-N 3.46Å; E53-Q57 PolarHBondContact O-N 3.39Å
54D96.9Very high94.5Very high59 Ų59100.9 Ų100.932%0.31651%0.511SS..Hα-helixtrans-57.3-45.2173.5171.273.4000111.6L50 K56 Q57 K58L50-D54 WeakPolarHBondContact O-CB 3.37Å; L50-D54 PolarHBondContact O-N 2.99Å; D54-K56 VanDerWaalsContact C-N 3.35Å; D54-K56 PolarHBondContact O-N 3.44Å; D54-Q57 PolarHBondContact O-N 3.42Å; D54-K58 VanDerWaalsContact CG-NZ 3.33Å; D54-K58 WeakPolarHBondContact O-CB 3.49Å; D54-K58 WeakPolarHBondContact O-CG 3.47Å; D54-K58 PolarHBondContact O-N 3.44Å; D54-K58 WeakPolarHBondContact OD1-CE 3.24Å; D54-K58 IonicContact OD1-NZ 3.64Å; D54-K58 PolarHBondContact OD1-NZ 2.96Å; D54-K58 WeakPolarHBondContact OD2-CE 3.46Å; D54-K58 IonicContact OD2-NZ 3.68Å; D54-K58 PolarHBondContact OD2-NZ 2.9Å
55Q95Very high94.6Very high108 Ų10898.6 Ų98.651%0.50551%0.509SS..Hα-helixtrans-65.9-37.6178.2-169.96132.600112.1L51 I52 E53 T59L51-Q55 WeakPolarHBondContact O-CB 3.41Å; L51-Q55 PolarHBondContact O-N 2.89Å; I52-Q55 PolarHBondContact O-N 3.18Å; E53-Q55 VanDerWaalsContact C-N 3.34Å; E53-Q55 PolarHBondContact O-N 3.26Å; Q55-T59 WeakPolarHBondContact O-CB 3.34Å; Q55-T59 PolarHBondContact O-N 3.28Å; Q55-T59 PolarHBondContact O-OG1 3.42Å
56K96.6Very high94.5Very high148 Ų14897.4 Ų97.464%0.64351%0.507SS*.Hα-helixtrans-64.1-45174.3-78.2174.7179.1178.70111.3I52 E53 D54 T59 S60I52-K56 HydrophobicContact CG2-CD 4.16Å; I52-K56 WeakPolarHBondContact O-CB 3.39Å; I52-K56 VanDerWaalsContact O-CG 3.3Å; I52-K56 WeakPolarHBondContact O-CG 3.47Å; I52-K56 PolarHBondContact O-N 2.92Å; E53-K56 WeakPolarHBondContact O-CB 3.48Å; E53-K56 PolarHBondContact O-N 3.46Å; D54-K56 VanDerWaalsContact C-N 3.35Å; D54-K56 PolarHBondContact O-N 3.44Å; K56-T59 PolarHBondContact O-N 2.94Å; K56-S60 PolarHBondContact O-N 3.36Å
57Q96.9Very high94.5Very high112 Ų11296.5 Ų96.552%0.52351%0.505SS..Hα-helixtrans-59.6-53.7176.3179.8178.7-1200110.8E53 D54 T59 S60 E61E53-Q57 PolarHBondContact O-N 3.39Å; D54-Q57 PolarHBondContact O-N 3.42Å; Q57-T59 VanDerWaalsContact C-N 3.26Å; Q57-T59 PolarHBondContact O-N 3.01Å; Q57-S60 WeakPolarHBondContact O-CA 3.37Å; Q57-S60 WeakPolarHBondContact O-CB 3.47Å; Q57-S60 PolarHBondContact O-N 3.01Å; Q57-E61 HydrophobicContact CG-CG 4.4Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.3Å; Q57-E61 PolarHBondContact NE2-OE1 2.88Å; Q57-E61 WeakPolarHBondContact O-CG 3.45Å; Q57-E61 PolarHBondContact O-N 2.86Å
58K95.4Very high94.3Very high79 Ų7996 Ų9634%0.34350%0.502SS..Hα-helixtrans-54.8-43.3177.1-75.4171.6179.31630112.1D54 S60 E61 Y62D54-K58 VanDerWaalsContact CG-NZ 3.33Å; D54-K58 WeakPolarHBondContact O-CB 3.49Å; D54-K58 WeakPolarHBondContact O-CG 3.47Å; D54-K58 PolarHBondContact O-N 3.44Å; D54-K58 WeakPolarHBondContact OD1-CE 3.24Å; D54-K58 IonicContact OD1-NZ 3.64Å; D54-K58 PolarHBondContact OD1-NZ 2.96Å; D54-K58 WeakPolarHBondContact OD2-CE 3.46Å; D54-K58 IonicContact OD2-NZ 3.68Å; D54-K58 PolarHBondContact OD2-NZ 2.9Å; K58-S60 VanDerWaalsContact C-N 3.32Å; K58-S60 PolarHBondContact O-N 3.44Å; K58-E61 PolarHBondContact O-N 3.14Å; K58-Y62 HydrophobicContact CB-CD2 4.32Å; K58-Y62 HydrophobicContact CB-CE2 4.28Å; K58-Y62 WeakPolarHBondContact O-CB 3.47Å; K58-Y62 WeakPolarHBondContact O-CD2 3.45Å; K58-Y62 PolarHBondContact O-N 3.23Å
59T94.7Very high94Very high73 Ų7397.4 Ų97.445%0.44851%0.507SS..Hα-helixtrans-60.3-43.8177.5-57.50000111.1Q55 K56 Q57 Q63Q55-T59 WeakPolarHBondContact O-CB 3.34Å; Q55-T59 PolarHBondContact O-N 3.28Å; Q55-T59 PolarHBondContact O-OG1 3.42Å; K56-T59 PolarHBondContact O-N 2.94Å; Q57-T59 VanDerWaalsContact C-N 3.26Å; Q57-T59 PolarHBondContact O-N 3.01Å; T59-Q63 VanDerWaalsContact O-CB 3.28Å; T59-Q63 WeakPolarHBondContact O-CB 3.44Å; T59-Q63 PolarHBondContact O-N 2.97Å
60S95.6Very high93.5Very high76 Ų76100 Ų10053%0.53151%0.511SS..Hα-helixtrans-64.5-42.5176.3-171.80000112.3K56 Q57 K58 Q63 A64K56-S60 PolarHBondContact O-N 3.36Å; Q57-S60 WeakPolarHBondContact O-CA 3.37Å; Q57-S60 WeakPolarHBondContact O-CB 3.47Å; Q57-S60 PolarHBondContact O-N 3.01Å; K58-S60 VanDerWaalsContact C-N 3.32Å; K58-S60 PolarHBondContact O-N 3.44Å; S60-Q63 PolarHBondContact O-N 3.27Å; S60-A64 WeakPolarHBondContact O-CB 3.06Å; S60-A64 PolarHBondContact O-N 2.87Å
61E95.5Very high93.1Very high95 Ų9598.1 Ų98.144%0.44450%0.502SS..Hα-helixtrans-62.8-51.4177.4-71.9173.5-177.700111Q57 K58 Q63 A64 D65Q57-E61 HydrophobicContact CG-CG 4.4Å; Q57-E61 WeakPolarHBondContact CG-OE1 3.3Å; Q57-E61 PolarHBondContact NE2-OE1 2.88Å; Q57-E61 WeakPolarHBondContact O-CG 3.45Å; Q57-E61 PolarHBondContact O-N 2.86Å; K58-E61 PolarHBondContact O-N 3.14Å; E61-Q63 VanDerWaalsContact C-N 3.27Å; E61-Q63 PolarHBondContact O-N 3.3Å; E61-A64 PolarHBondContact O-N 2.84Å; E61-A64 VanDerWaalsContact O-N 3.14Å; E61-D65 PolarHBondContact O-N 2.91Å
62Y92.1Very high92.6Very high174 Ų17496 Ų9668%0.68249%0.493SS*.Hα-helixtrans-61.5-34.8177.1-77.2-59.8000112.9K58 G66K58-Y62 HydrophobicContact CB-CD2 4.32Å; K58-Y62 HydrophobicContact CB-CE2 4.28Å; K58-Y62 WeakPolarHBondContact O-CB 3.47Å; K58-Y62 WeakPolarHBondContact O-CD2 3.45Å; K58-Y62 PolarHBondContact O-N 3.23Å; Y62-G66 PolarHBondContact O-N 3.41Å
63Q93.5Very high92Very high137 Ų13795.1 Ų95.164%0.6449%0.492SS*.Hα-helixtrans-67.5-43.6175.2-174.4175.2100111.4T59 S60 E61 G66 V67T59-Q63 VanDerWaalsContact O-CB 3.28Å; T59-Q63 WeakPolarHBondContact O-CB 3.44Å; T59-Q63 PolarHBondContact O-N 2.97Å; S60-Q63 PolarHBondContact O-N 3.27Å; E61-Q63 VanDerWaalsContact C-N 3.27Å; E61-Q63 PolarHBondContact O-N 3.3Å; Q63-G66 PolarHBondContact O-N 2.67Å; Q63-V67 WeakPolarHBondContact O-CG2 3.31Å; Q63-V67 PolarHBondContact O-N 3.48Å
64A93.6Very high91.3Very high57 Ų5792.5 Ų92.547%0.47148%0.481SS..Hα-helixtrans-63.6-44.6176.300000111.8S60 E61 G66 V67 H68S60-A64 WeakPolarHBondContact O-CB 3.06Å; S60-A64 PolarHBondContact O-N 2.87Å; E61-A64 PolarHBondContact O-N 2.84Å; E61-A64 VanDerWaalsContact O-N 3.14Å; A64-G66 VanDerWaalsContact C-N 3.32Å; A64-G66 PolarHBondContact O-N 2.95Å; A64-V67 PolarHBondContact O-N 2.97Å; A64-H68 WeakPolarHBondContact O-CB 3.31Å; A64-H68 PolarHBondContact O-N 3.04Å
65D92.6Very high90.4Very high94 Ų9497.8 Ų97.850%0.50350%0.504SS..Hα-helixtrans-61.1-41.3174.6-82.1-1.4000111.6E61 V67 H68 L69E61-D65 PolarHBondContact O-N 2.91Å; D65-V67 PolarHBondContact O-N 3.28Å; D65-H68 WeakPolarHBondContact O-CB 3.33Å; D65-H68 PolarHBondContact O-N 3.15Å; D65-L69 WeakPolarHBondContact O-CB 3.44Å; D65-L69 VanDerWaalsContact O-CG 3.31Å; D65-L69 WeakPolarHBondContact O-CG 3.37Å; D65-L69 PolarHBondContact O-N 3.23Å
66G88.4Confident89.3Confident38 Ų3895.7 Ų95.739%0.39251%0.512SS..Hα-helixtrans-59.5-45.2175.200000112.5Y62 Q63 A64 Q70Y62-G66 PolarHBondContact O-N 3.41Å; Q63-G66 PolarHBondContact O-N 2.67Å; A64-G66 VanDerWaalsContact C-N 3.32Å; A64-G66 PolarHBondContact O-N 2.95Å; G66-Q70 WeakPolarHBondContact O-CB 3.47Å; G66-Q70 PolarHBondContact O-N 3.26Å
67V90.6Very high88.1Confident71 Ų7193.4 Ų93.443%0.4351%0.51SS..Hα-helixtrans-64.8-41.9174.8172.70000111.1Q63 A64 D65 Q70 N71Q63-V67 WeakPolarHBondContact O-CG2 3.31Å; Q63-V67 PolarHBondContact O-N 3.48Å; A64-V67 PolarHBondContact O-N 2.97Å; D65-V67 PolarHBondContact O-N 3.28Å; V67-Q70 PolarHBondContact O-N 3.34Å; V67-N71 VanDerWaalsContact O-CG 3.31Å; V67-N71 PolarHBondContact O-N 2.91Å; V67-N71 PolarHBondContact O-ND2 3.46Å
68H90.1Very high86.9Confident112 Ų11290.4 Ų90.452%0.51951%0.51SS..Hα-helixtrans-59.6-51.1177174.867.8000111.6A64 D65 Q70 N71 V72A64-H68 WeakPolarHBondContact O-CB 3.31Å; A64-H68 PolarHBondContact O-N 3.04Å; D65-H68 WeakPolarHBondContact O-CB 3.33Å; D65-H68 PolarHBondContact O-N 3.15Å; H68-Q70 VanDerWaalsContact C-N 3.32Å; H68-Q70 PolarHBondContact O-N 2.85Å; H68-N71 WeakPolarHBondContact O-CB 3.28Å; H68-N71 PolarHBondContact O-N 3.37Å; H68-N71 VanDerWaalsContact O-N 3.15Å; H68-V72 WeakPolarHBondContact O-CG2 3.43Å; H68-V72 PolarHBondContact O-N 3.35Å
69L87.3Confident85.8Confident108 Ų10891 Ų9157%0.56552%0.516SS*.Hα-helixtrans-61.1-40.7178.1-70.8171.1000111.8D65 N71 V72 V73D65-L69 WeakPolarHBondContact O-CB 3.44Å; D65-L69 VanDerWaalsContact O-CG 3.31Å; D65-L69 WeakPolarHBondContact O-CG 3.37Å; D65-L69 PolarHBondContact O-N 3.23Å; L69-N71 VanDerWaalsContact C-N 3.33Å; L69-N71 PolarHBondContact O-N 2.98Å; L69-V72 PolarHBondContact O-N 3.49Å; L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 3.46Å
70Q84.8Confident84.8Confident121 Ų12189.8 Ų89.857%0.56551%0.51SS*.Hα-helixtrans-58.9-45.4174.4-178.2177.13300111.6G66 V67 H68 V73 L74G66-Q70 WeakPolarHBondContact O-CB 3.47Å; G66-Q70 PolarHBondContact O-N 3.26Å; V67-Q70 PolarHBondContact O-N 3.34Å; H68-Q70 VanDerWaalsContact C-N 3.32Å; H68-Q70 PolarHBondContact O-N 2.85Å; Q70-V73 PolarHBondContact O-N 3.23Å; Q70-L74 HydrophobicContact CG-CD1 3.88Å; Q70-L74 WeakPolarHBondContact O-CB 3.41Å; Q70-L74 PolarHBondContact O-N 2.83Å
71N86.3Confident83.3Confident73 Ų7391.2 Ų91.239%0.3952%0.521SS..Hα-helixtrans-64-41.2176.9-72-30.9000112V67 H68 L69 V73 L74 Q75V67-N71 VanDerWaalsContact O-CG 3.31Å; V67-N71 PolarHBondContact O-N 2.91Å; V67-N71 PolarHBondContact O-ND2 3.46Å; H68-N71 WeakPolarHBondContact O-CB 3.28Å; H68-N71 PolarHBondContact O-N 3.37Å; H68-N71 VanDerWaalsContact O-N 3.15Å; L69-N71 VanDerWaalsContact C-N 3.33Å; L69-N71 PolarHBondContact O-N 2.98Å; N71-V73 PolarHBondContact O-N 2.79Å; N71-L74 PolarHBondContact O-N 3.37Å; N71-Q75 VanDerWaalsContact O-CB 3.31Å; N71-Q75 WeakPolarHBondContact O-CB 3.3Å; N71-Q75 WeakPolarHBondContact O-CG 3.37Å; N71-Q75 PolarHBondContact O-N 2.95Å
72V86.6Confident82.2Confident70 Ų7090 Ų9042%0.42453%0.533SS..Hα-helixtrans-61.4-42.7176170.90000111.3H68 L69 G76H68-V72 WeakPolarHBondContact O-CG2 3.43Å; H68-V72 PolarHBondContact O-N 3.35Å; L69-V72 PolarHBondContact O-N 3.49Å; V72-G76 VanDerWaalsContact O-CA 3.3Å; V72-G76 WeakPolarHBondContact O-CA 3.39Å; V72-G76 PolarHBondContact O-N 3.37Å
73V82.8Confident81.4Confident66 Ų6685.6 Ų85.640%0.453%0.528SS..Hα-helixtrans-65.5-44.5177.61720000111.3L69 Q70 N71 V77 G78 L79L69-V73 WeakPolarHBondContact O-CG2 3.34Å; L69-V73 PolarHBondContact O-N 3.46Å; Q70-V73 PolarHBondContact O-N 3.23Å; N71-V73 PolarHBondContact O-N 2.79Å; V73-V77 PolarHBondContact O-N 3Å; V73-G78 PolarHBondContact O-N 3.38Å; V73-L79 HydrophobicContact CG1-CB 3.98Å
74L81.8Confident80.8Confident71 Ų7182.4 Ų82.437%0.37252%0.515SS..Hα-helixtrans-64.9-48178.4-82.8158.2000112.5Q70 N71 G78Q70-L74 HydrophobicContact CG-CD1 3.88Å; Q70-L74 WeakPolarHBondContact O-CB 3.41Å; Q70-L74 PolarHBondContact O-N 2.83Å; N71-L74 PolarHBondContact O-N 3.37Å; L74-G78 WeakPolarHBondContact O-CA 3.46Å; L74-G78 PolarHBondContact O-N 3Å
75Q79.3Confident80.6Confident170 Ų17083.2 Ų83.279%0.79452%0.517SS*.Hα-helixtrans-84.8-35.8-174.4-66.8-174-10.700113.4N71N71-Q75 VanDerWaalsContact O-CB 3.31Å; N71-Q75 WeakPolarHBondContact O-CB 3.3Å; N71-Q75 WeakPolarHBondContact O-CG 3.37Å; N71-Q75 PolarHBondContact O-N 2.95Å
76G70.2Confident80.4Confident65 Ų6586.5 Ų86.567%0.6753%0.527SS*.Hα-helixtrans-86.8-36.8-174.700000114.1V72V72-G76 VanDerWaalsContact O-CA 3.3Å; V72-G76 WeakPolarHBondContact O-CA 3.39Å; V72-G76 PolarHBondContact O-N 3.37Å
77V72.5Confident80.6Confident99 Ų9988.2 Ų88.260%0.653%0.531SS*.SBendtrans-111.9-10.4-175.3-158.90000112V73 L79V73-V77 PolarHBondContact O-N 3Å; V77-L79 HydrophobicContact CB-CD1 4.1Å; V77-L79 HydrophobicContact CB-CG 4.09Å; V77-L79 HydrophobicContact CG1-CD1 3.59Å; V77-L79 HydrophobicContact CG1-CG 3.78Å; V77-L79 PolarHBondContact O-N 3.21Å
78G71.1Confident80.5Confident50 Ų5086.3 Ų86.352%0.51552%0.523SS..  trans67.114.1-178.200000113.8V73 L74 S80V73-G78 PolarHBondContact O-N 3.38Å; L74-G78 WeakPolarHBondContact O-CA 3.46Å; L74-G78 PolarHBondContact O-N 3Å; G78-S80 PolarHBondContact O-N 2.9Å
79L72.1Confident80.4Confident91 Ų9183.3 Ų83.348%0.47652%0.515SS..  trans-83.493.7180-67.6173.9000109V73 V77V73-L79 HydrophobicContact CG1-CB 3.98Å; V77-L79 HydrophobicContact CB-CD1 4.1Å; V77-L79 HydrophobicContact CB-CG 4.09Å; V77-L79 HydrophobicContact CG1-CD1 3.59Å; V77-L79 HydrophobicContact CG1-CG 3.78Å; V77-L79 PolarHBondContact O-N 3.21Å
80S73.8Confident80.6Confident47 Ų4782.5 Ų82.533%0.32951%0.511SS..  trans-84.4150.4166.2177.20000110.3G78 G82 S83G78-S80 PolarHBondContact O-N 2.9Å; S80-G82 PolarHBondContact O-N 3.11Å; S80-G82 VanDerWaalsContact O-N 3.11Å; S80-G82 PolarHBondContact OG-N 3.42Å; S80-S83 WeakPolarHBondContact CB-OG 3.46Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.18Å
81S65.5Low81Confident107 Ų10785.3 Ų85.375%0.74852%0.517SS*.THydrogen-bonded Turntrans-57.3-23.8173.252.10000112.9
82G70.7Confident81.1Confident69 Ų6986.1 Ų86.171%0.71152%0.521SS*.THydrogen-bonded Turntrans-86-10.1173.800000115.3S80 L84S80-G82 PolarHBondContact O-N 3.11Å; S80-G82 VanDerWaalsContact O-N 3.11Å; S80-G82 PolarHBondContact OG-N 3.42Å; G82-L84 VanDerWaalsContact C-N 3.34Å
83S76.3Confident81.3Confident82 Ų8286.5 Ų86.557%0.57353%0.527SS*.SBendtrans-83.6-11.5-179.3-55.40000113S80S80-S83 WeakPolarHBondContact CB-OG 3.46Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.18Å
84L80.2Confident81.8Confident69 Ų6985.5 Ų85.536%0.36153%0.525SS..SBendtrans-88146.7180-69.5167.1000111G82 A88 L92G82-L84 VanDerWaalsContact C-N 3.34Å; L84-A88 HydrophobicContact CB-CB 4.36Å; L84-A88 HydrophobicContact CD2-CB 4.28Å; L84-L92 HydrophobicContact CD1-CD1 3.64Å
85S89.6Confident82.3Confident74 Ų7485.1 Ų85.152%0.51752%0.524SS..  trans-63.4152.1168.269.90000110.2A88 S89S85-A88 PolarHBondContact O-N 2.63Å; S85-A88 WeakPolarHBondContact OG-CB 3.1Å; S85-A88 PolarHBondContact OG-N 3.34Å; S85-S89 PolarHBondContact O-N 3.15Å
86K89Confident82.9Confident164 Ų16480.3 Ų80.371%0.71351%0.506SS*.Hα-helixtrans-52.2-46.3178.7-177.3165.9-177.1166.40113.1A88 S89 D90K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 3.34Å; K86-S89 PolarHBondContact O-N 2.78Å; K86-D90 VanDerWaalsContact O-CG 3.25Å; K86-D90 PolarHBondContact O-N 3.4Å
87P92.6Very high84Confident74 Ų7479.6 Ų79.648%0.48149%0.493SS..Hα-helixtrans-60.3-39.8175.7-24.234.8000113.8D90 Y91P87-D90 PolarHBondContact O-N 2.59Å; P87-Y91 HydrophobicContact CB-CE2 4.37Å; P87-Y91 WeakPolarHBondContact O-CD2 3.16Å; P87-Y91 PolarHBondContact O-N 3.2Å
88A88.8Confident85Confident30 Ų3079 Ų7925%0.24849%0.487CS..Hα-helixtrans-66.3-39.917900000111.8L84 S85 K86 L92L84-A88 HydrophobicContact CB-CB 4.36Å; L84-A88 HydrophobicContact CD2-CB 4.28Å; S85-A88 PolarHBondContact O-N 2.63Å; S85-A88 WeakPolarHBondContact OG-CB 3.1Å; S85-A88 PolarHBondContact OG-N 3.34Å; K86-A88 VanDerWaalsContact C-N 3.35Å; K86-A88 PolarHBondContact O-N 3.34Å; A88-L92 WeakPolarHBondContact O-CG 3.17Å; A88-L92 PolarHBondContact O-N 3.02Å
89S87.8Confident86.1Confident50 Ų5077.2 Ų77.235%0.3547%0.467SS..Hα-helixtrans-62.7-44.3173.6-1700000111.8S85 K86 Y91 L92 S93S85-S89 PolarHBondContact O-N 3.15Å; K86-S89 PolarHBondContact O-N 2.78Å; S89-Y91 PolarHBondContact O-N 3.01Å; S89-L92 PolarHBondContact O-N 3.43Å; S89-S93 VanDerWaalsContact O-CB 3.31Å; S89-S93 WeakPolarHBondContact O-CB 3.21Å; S89-S93 PolarHBondContact O-N 3.29Å
90D91.4Very high87.1Confident91 Ų9180.8 Ų80.849%0.48748%0.479SS..Hα-helixtrans-62.5-44178.4-66.8-24.3000111.6K86 P87 S93 A94K86-D90 VanDerWaalsContact O-CG 3.25Å; K86-D90 PolarHBondContact O-N 3.4Å; P87-D90 PolarHBondContact O-N 2.59Å; D90-S93 PolarHBondContact O-N 2.97Å; D90-A94 WeakPolarHBondContact O-CB 3.35Å; D90-A94 PolarHBondContact O-N 3.35Å
91Y92.5Very high88.1Confident180 Ų18084.4 Ų84.471%0.70650%0.499SS*.Hα-helixtrans-64.3-42.4176.4-72.5-52.5000113P87 S89 A94 L95P87-Y91 HydrophobicContact CB-CE2 4.37Å; P87-Y91 WeakPolarHBondContact O-CD2 3.16Å; P87-Y91 PolarHBondContact O-N 3.2Å; S89-Y91 PolarHBondContact O-N 3.01Å; Y91-A94 PolarHBondContact O-N 3.09Å; Y91-L95 VanDerWaalsContact O-CB 3.32Å; Y91-L95 WeakPolarHBondContact O-CB 3.46Å; Y91-L95 PolarHBondContact O-N 2.98Å
92L89.2Confident89.4Confident90 Ų9081.3 Ų81.347%0.47147%0.474SS..Hα-helixtrans-65.6-42.3176.5-75.8169.5000111.5L84 A88 S89 L95 V96L84-L92 HydrophobicContact CD1-CD1 3.64Å; A88-L92 WeakPolarHBondContact O-CG 3.17Å; A88-L92 PolarHBondContact O-N 3.02Å; S89-L92 PolarHBondContact O-N 3.43Å; L92-L95 PolarHBondContact O-N 3.41Å; L92-V96 WeakPolarHBondContact O-CG2 3.39Å; L92-V96 PolarHBondContact O-N 3.29Å
93S90.1Very high90.5Very high77 Ų7781.2 Ų81.254%0.53847%0.473SS..Hα-helixtrans-59.7-46.9175.3-176.10000111.3S89 D90 L95 V96 A97S89-S93 VanDerWaalsContact O-CB 3.31Å; S89-S93 WeakPolarHBondContact O-CB 3.21Å; S89-S93 PolarHBondContact O-N 3.29Å; D90-S93 PolarHBondContact O-N 2.97Å; S93-L95 PolarHBondContact O-N 3.28Å; S93-V96 PolarHBondContact O-N 2.89Å; S93-A97 WeakPolarHBondContact O-CB 3.4Å; S93-A97 PolarHBondContact O-N 3.4Å
94A94.3Very high91.4Very high45 Ų4578.7 Ų78.737%0.37245%0.454SS..Hα-helixtrans-61.3-44.3175.200000111.6D90 Y91 V96 A97 N98D90-A94 WeakPolarHBondContact O-CB 3.35Å; D90-A94 PolarHBondContact O-N 3.35Å; Y91-A94 PolarHBondContact O-N 3.09Å; A94-V96 PolarHBondContact O-N 3.48Å; A94-A97 PolarHBondContact O-N 2.91Å; A94-N98 WeakPolarHBondContact O-CB 3.35Å; A94-N98 PolarHBondContact O-N 3.27Å; A94-N98 PolarHBondContact O-ND2 2.84Å
95L92.3Very high91.7Very high64 Ų6486.5 Ų86.534%0.33548%0.478SS..Hα-helixtrans-61.7-44.6179.1-176.163000111.8Y91 L92 S93 N98 A99 T107 F112Y91-L95 VanDerWaalsContact O-CB 3.32Å; Y91-L95 WeakPolarHBondContact O-CB 3.46Å; Y91-L95 PolarHBondContact O-N 2.98Å; L92-L95 PolarHBondContact O-N 3.41Å; S93-L95 PolarHBondContact O-N 3.28Å; L95-N98 PolarHBondContact O-N 2.99Å; L95-A99 WeakPolarHBondContact O-CB 3.32Å; L95-A99 PolarHBondContact O-N 3.31Å; L95-T107 HydrophobicContact CD1-CG2 4.43Å; L95-T107 HydrophobicContact CD2-CG2 3.94Å; L95-T107 HydrophobicContact CG-CG2 3.78Å; L95-F112 HydrophobicContact CD1-CE1 4.14Å; L95-F112 HydrophobicContact CD1-CE2 4.17Å; L95-F112 HydrophobicContact CD1-CZ 3.73Å
96V90.5Very high91.6Very high69 Ų6986 Ų8642%0.41847%0.47SS..Hα-helixtrans-65.1-41.8176.1171.30000111.3L92 S93 A94 A99 K100L92-V96 WeakPolarHBondContact O-CG2 3.39Å; L92-V96 PolarHBondContact O-N 3.29Å; S93-V96 PolarHBondContact O-N 2.89Å; A94-V96 PolarHBondContact O-N 3.48Å; V96-A99 PolarHBondContact O-N 2.92Å; V96-K100 HydrophobicContact CG1-CD 4.28Å; V96-K100 WeakPolarHBondContact O-CG 3.41Å; V96-K100 PolarHBondContact O-N 2.9Å
97A93.9Very high91.6Very high49 Ų4982 Ų8241%0.40546%0.459SS..Hα-helixtrans-61.6-46.8176.600000111.3S93 A94 A99 K100 V101S93-A97 WeakPolarHBondContact O-CB 3.4Å; S93-A97 PolarHBondContact O-N 3.4Å; A94-A97 PolarHBondContact O-N 2.91Å; A97-A99 VanDerWaalsContact C-N 3.33Å; A97-A99 PolarHBondContact O-N 3.42Å; A97-K100 PolarHBondContact O-N 3.39Å; A97-V101 WeakPolarHBondContact O-CG2 3.3Å; A97-V101 PolarHBondContact O-N 3Å
98N93.9Very high91.6Very high87 Ų8780.3 Ų80.347%0.46545%0.449SS..Hα-helixtrans-62.5-39.9175.5-76.4-75.9000111.7A94 L95 K100 V101 L102 F112A94-N98 WeakPolarHBondContact O-CB 3.35Å; A94-N98 PolarHBondContact O-N 3.27Å; A94-N98 PolarHBondContact O-ND2 2.84Å; L95-N98 PolarHBondContact O-N 2.99Å; N98-K100 VanDerWaalsContact C-N 3.32Å; N98-K100 PolarHBondContact O-N 3.44Å; N98-V101 PolarHBondContact O-N 3.45Å; N98-L102 VanDerWaalsContact O-CB 3.31Å; N98-L102 WeakPolarHBondContact O-CB 3.29Å; N98-L102 VanDerWaalsContact O-CG 3.3Å; N98-L102 WeakPolarHBondContact O-CG 3.34Å; N98-L102 PolarHBondContact O-N 3.24Å; N98-F112 HydrophobicContact CB-CE1 3.96Å; N98-F112 HydrophobicContact CB-CZ 4.3Å
99A93.8Very high91.8Very high13 Ų1385.5 Ų85.511%0.10747%0.472CS..Hα-helixtrans-61.2-42.5177.500000111.9L95 V96 A97 G103 V104 T107 F112L95-A99 WeakPolarHBondContact O-CB 3.32Å; L95-A99 PolarHBondContact O-N 3.31Å; V96-A99 PolarHBondContact O-N 2.92Å; A97-A99 VanDerWaalsContact C-N 3.33Å; A97-A99 PolarHBondContact O-N 3.42Å; A99-G103 PolarHBondContact O-N 2.87Å; A99-V104 HydrophobicContact CB-CG2 3.65Å; A99-V104 PolarHBondContact O-N 2.88Å; A99-V104 VanDerWaalsContact O-N 3.09Å; A99-T107 HydrophobicContact CB-CG2 4.31Å; A99-F112 HydrophobicContact CB-CE2 3.79Å; A99-F112 HydrophobicContact CB-CZ 3.66Å
100K92.3Very high92.2Very high165 Ų16587.5 Ų87.572%0.71749%0.486SS*.Hα-helixtrans-65.3-43.8176.5-73.4177.2178.5-176.30112.2V96 A97 N98 G103V96-K100 HydrophobicContact CG1-CD 4.28Å; V96-K100 WeakPolarHBondContact O-CG 3.41Å; V96-K100 PolarHBondContact O-N 2.9Å; A97-K100 PolarHBondContact O-N 3.39Å; N98-K100 VanDerWaalsContact C-N 3.32Å; N98-K100 PolarHBondContact O-N 3.44Å; K100-G103 PolarHBondContact O-N 3.45Å
101V94.7Very high92.3Very high124 Ų12484.4 Ų84.475%0.75247%0.472SS*.Hα-helixtrans-65.9-42.6178.7171.80000111.2A97 N98 G103A97-V101 WeakPolarHBondContact O-CG2 3.3Å; A97-V101 PolarHBondContact O-N 3Å; N98-V101 PolarHBondContact O-N 3.45Å; V101-G103 PolarHBondContact O-N 3.3Å
102L93.8Very high92.3Very high42 Ų4277.3 Ų77.322%0.2245%0.445CS..Hα-helixtrans-76.2-9.9177.6-67.4172.2000113.3N98 V104 F112 A115 V116 L119N98-L102 VanDerWaalsContact O-CB 3.31Å; N98-L102 WeakPolarHBondContact O-CB 3.29Å; N98-L102 VanDerWaalsContact O-CG 3.3Å; N98-L102 WeakPolarHBondContact O-CG 3.34Å; N98-L102 PolarHBondContact O-N 3.24Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CB-CG1 4.01Å; L102-V104 PolarHBondContact O-N 3.44Å; L102-F112 HydrophobicContact CD1-CD1 3.8Å; L102-F112 HydrophobicContact CD1-CE1 3.76Å; L102-A115 HydrophobicContact CB-CB 4.13Å; L102-A115 HydrophobicContact CD1-CB 4.42Å; L102-A115 HydrophobicContact CD2-CB 4.39Å; L102-V116 HydrophobicContact CD1-CG2 3.89Å; L102-L119 HydrophobicContact CD2-CD2 4.03Å
103G93.3Very high92.6Very high67 Ų6776.3 Ų76.369%0.69144%0.442SS*.THydrogen-bonded Turntrans63.429-178.900000114.1A99 K100 V101A99-G103 PolarHBondContact O-N 2.87Å; K100-G103 PolarHBondContact O-N 3.45Å; V101-G103 PolarHBondContact O-N 3.3Å
104V94.8Very high92.9Very high28 Ų2875.7 Ų75.717%0.1744%0.436CS..  trans-82.2148.7-177.7-65.10000112A99 L102 D106 S111 F112 A115A99-V104 HydrophobicContact CB-CG2 3.65Å; A99-V104 PolarHBondContact O-N 2.88Å; A99-V104 VanDerWaalsContact O-N 3.09Å; L102-V104 VanDerWaalsContact C-N 3.27Å; L102-V104 HydrophobicContact CB-CG1 4.01Å; L102-V104 PolarHBondContact O-N 3.44Å; V104-D106 WeakPolarHBondContact CG2-O 3.3Å; V104-S111 WeakPolarHBondContact CG1-O 3.31Å; V104-F112 HydrophobicContact CG2-CD2 3.9Å; V104-F112 HydrophobicContact CG2-CE2 3.55Å; V104-F112 HydrophobicContact CG2-CZ 4.16Å; V104-A115 HydrophobicContact CG1-CB 3.48Å; V104-A115 VanDerWaalsContact CG1-CB 3.48Å
105R87.8Confident93Very high233 Ų23374.2 Ų74.288%0.87942%0.424SS*.SBendtrans-66.8-39.2179.7-175.9-171.3-66.3138.6-2112.6
106D87.3Confident93.1Very high65 Ų6574.2 Ų74.235%0.34843%0.427SS..SBendtrans-143.7170.6-176.261.936.2000111.9V104 S108 S111V104-D106 WeakPolarHBondContact CG2-O 3.3Å; D106-S108 PolarHBondContact O-N 3.31Å; D106-S108 WeakPolarHBondContact OD1-CB 3.47Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 2.74Å; D106-S111 WeakPolarHBondContact OD1-CB 3.38Å; D106-S111 PolarHBondContact OD1-OG 3.36Å
107T88.3Confident93.4Very high78 Ų7875 Ų7548%0.47943%0.429SS..SBendtrans-86.615.4176.355.50000113.8L95 A99 F112L95-T107 HydrophobicContact CD1-CG2 4.43Å; L95-T107 HydrophobicContact CD2-CG2 3.94Å; L95-T107 HydrophobicContact CG-CG2 3.78Å; A99-T107 HydrophobicContact CB-CG2 4.31Å; T107-F112 HydrophobicContact CG2-CE2 4.16Å
108S92.8Very high93.5Very high39 Ų3977.2 Ų77.227%0.27343%0.433SS..SBendtrans-72.6150.4176.180.20000110.8D106 S110 S111 F112D106-S108 PolarHBondContact O-N 3.31Å; D106-S108 WeakPolarHBondContact OD1-CB 3.47Å; D106-S108 PolarHBondContact OD1-N 3.42Å; D106-S108 PolarHBondContact OD1-OG 2.74Å; S108-S110 PolarHBondContact O-N 3.43Å; S108-S110 PolarHBondContact OG-N 3.49Å; S108-S110 PolarHBondContact OG-OG 3.43Å; S108-S111 PolarHBondContact O-N 2.9Å; S108-S111 VanDerWaalsContact O-N 3.15Å; S108-S111 PolarHBondContact OG-N 3.41Å; S108-F112 PolarHBondContact O-N 2.88Å
109L93.8Very high93.6Very high139 Ų13977.6 Ų77.673%0.72844%0.435SS*.Hα-helixtrans-56.6-32.2171.6-89.8111.7000112.2S111 F112 V113L109-S111 VanDerWaalsContact C-N 3.25Å; L109-S111 PolarHBondContact O-N 2.88Å; L109-F112 PolarHBondContact O-N 2.86Å; L109-V113 HydrophobicContact CB-CG2 4.36Å; L109-V113 HydrophobicContact CD2-CG2 3.97Å; L109-V113 VanDerWaalsContact O-CB 3.3Å; L109-V113 WeakPolarHBondContact O-CB 3.48Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.32Å; L109-V113 PolarHBondContact O-N 3.06Å
110S95.1Very high93.8Very high93 Ų9380.7 Ų80.765%0.6545%0.452SS*.Hα-helixtrans-65.5-28.3-179.172.20000113.3S108 P114S108-S110 PolarHBondContact O-N 3.43Å; S108-S110 PolarHBondContact OG-N 3.49Å; S108-S110 PolarHBondContact OG-OG 3.43Å; S110-P114 WeakPolarHBondContact O-CD 3.35Å; S110-P114 WeakPolarHBondContact O-CG 3.35Å
111S93.6Very high94Very high26 Ų2677.2 Ų77.218%0.18244%0.442CS..Hα-helixtrans-89.6-41.4173.6-59.70000112V104 D106 S108 L109 A115V104-S111 WeakPolarHBondContact CG1-O 3.31Å; D106-S111 WeakPolarHBondContact OD1-CB 3.38Å; D106-S111 PolarHBondContact OD1-OG 3.36Å; S108-S111 PolarHBondContact O-N 2.9Å; S108-S111 VanDerWaalsContact O-N 3.15Å; S108-S111 PolarHBondContact OG-N 3.41Å; L109-S111 VanDerWaalsContact C-N 3.25Å; L109-S111 PolarHBondContact O-N 2.88Å; S111-A115 PolarHBondContact O-N 3.01Å
112F93.9Very high94.1Very high31 Ų3177.4 Ų77.414%0.13643%0.434CS..Hα-helixtrans-69.7-45.5-176.1-100.3-97.7000113.7L95 N98 A99 L102 V104 T107 S108 L109 A115 V116L95-F112 HydrophobicContact CD1-CE1 4.14Å; L95-F112 HydrophobicContact CD1-CE2 4.17Å; L95-F112 HydrophobicContact CD1-CZ 3.73Å; N98-F112 HydrophobicContact CB-CE1 3.96Å; N98-F112 HydrophobicContact CB-CZ 4.3Å; A99-F112 HydrophobicContact CB-CE2 3.79Å; A99-F112 HydrophobicContact CB-CZ 3.66Å; L102-F112 HydrophobicContact CD1-CD1 3.8Å; L102-F112 HydrophobicContact CD1-CE1 3.76Å; V104-F112 HydrophobicContact CG2-CD2 3.9Å; V104-F112 HydrophobicContact CG2-CE2 3.55Å; V104-F112 HydrophobicContact CG2-CZ 4.16Å; T107-F112 HydrophobicContact CG2-CE2 4.16Å; S108-F112 PolarHBondContact O-N 2.88Å; L109-F112 PolarHBondContact O-N 2.86Å; F112-A115 PolarHBondContact O-N 3.37Å; F112-V116 WeakPolarHBondContact O-CG2 3.31Å; F112-V116 PolarHBondContact O-N 3.29Å
113V95.1Very high94.3Very high69 Ų6980.3 Ų80.342%0.41845%0.45SS..Hα-helixtrans-62.5-47.1-174.6171.80000111.6L109 A115 V116 N117L109-V113 HydrophobicContact CB-CG2 4.36Å; L109-V113 HydrophobicContact CD2-CG2 3.97Å; L109-V113 VanDerWaalsContact O-CB 3.3Å; L109-V113 WeakPolarHBondContact O-CB 3.48Å; L109-V113 VanDerWaalsContact O-CG2 3.29Å; L109-V113 WeakPolarHBondContact O-CG2 3.32Å; L109-V113 PolarHBondContact O-N 3.06Å; V113-A115 PolarHBondContact O-N 2.98Å; V113-V116 PolarHBondContact O-N 3.49Å; V113-N117 WeakPolarHBondContact O-CB 3.5Å; V113-N117 VanDerWaalsContact O-CG 3.25Å; V113-N117 PolarHBondContact O-N 3.35Å; V113-N117 PolarHBondContact O-ND2 2.95Å
114P95.8Very high94.5Very high63 Ų6380.7 Ų80.741%0.40944%0.435SS..Hα-helixtrans-62.1-40.1174.6-24.636.3000113S110 N117 N118S110-P114 WeakPolarHBondContact O-CD 3.35Å; S110-P114 WeakPolarHBondContact O-CG 3.35Å; P114-N117 PolarHBondContact O-N 2.96Å; P114-N118 WeakPolarHBondContact O-CB 3.38Å; P114-N118 PolarHBondContact O-N 3.25Å; P114-N118 PolarHBondContact O-ND2 3.47Å; P114-N118 PolarHBondContact O-OD1 3.46Å
115A96.3Very high94.7Very high15 Ų1584 Ų8412%0.12445%0.449CS..Hα-helixtrans-64.5-43.7179.600000112.2L102 V104 S111 F112 V113 N118 L119L102-A115 HydrophobicContact CB-CB 4.13Å; L102-A115 HydrophobicContact CD1-CB 4.42Å; L102-A115 HydrophobicContact CD2-CB 4.39Å; V104-A115 HydrophobicContact CG1-CB 3.48Å; V104-A115 VanDerWaalsContact CG1-CB 3.48Å; S111-A115 PolarHBondContact O-N 3.01Å; F112-A115 PolarHBondContact O-N 3.37Å; V113-A115 PolarHBondContact O-N 2.98Å; A115-N118 PolarHBondContact O-N 3.49Å; A115-L119 PolarHBondContact O-N 3.05Å
116V95.6Very high95.2Very high64 Ų6476.3 Ų76.339%0.38843%0.431SS..Hα-helixtrans-64.5-41.3174.8172.60000111.1L102 F112 V113 L119 T120L102-V116 HydrophobicContact CD1-CG2 3.89Å; F112-V116 WeakPolarHBondContact O-CG2 3.31Å; F112-V116 PolarHBondContact O-N 3.29Å; V113-V116 PolarHBondContact O-N 3.49Å; V116-L119 PolarHBondContact O-N 2.86Å; V116-T120 WeakPolarHBondContact O-CB 3.41Å; V116-T120 PolarHBondContact O-N 3.15Å; V116-T120 PolarHBondContact O-OG1 3.45Å
117N96.4Very high95.7Very high86 Ų8676.7 Ų76.746%0.4643%0.431SS..Hα-helixtrans-64.6-40.7176.9-76.1-15.4000112V113 P114 T120 N121V113-N117 WeakPolarHBondContact O-CB 3.5Å; V113-N117 VanDerWaalsContact O-CG 3.25Å; V113-N117 PolarHBondContact O-N 3.35Å; V113-N117 PolarHBondContact O-ND2 2.95Å; P114-N117 PolarHBondContact O-N 2.96Å; N117-T120 PolarHBondContact O-N 2.87Å; N117-N121 WeakPolarHBondContact O-CB 3.36Å; N117-N121 PolarHBondContact O-N 2.86Å; N117-N121 PolarHBondContact O-ND2 2.92Å
118N96.1Very high96.2Very high94 Ų9477.6 Ų77.650%0.50343%0.428SS..Hα-helixtrans-61-49.2174.8-71.7-13.2000110.7P114 A115 T120 N121 E122P114-N118 WeakPolarHBondContact O-CB 3.38Å; P114-N118 PolarHBondContact O-N 3.25Å; P114-N118 PolarHBondContact O-ND2 3.47Å; P114-N118 PolarHBondContact O-OD1 3.46Å; A115-N118 PolarHBondContact O-N 3.49Å; N118-T120 VanDerWaalsContact C-N 3.29Å; N118-T120 PolarHBondContact O-N 3.36Å; N118-N121 WeakPolarHBondContact O-CB 3.32Å; N118-N121 PolarHBondContact O-N 3.39Å; N118-N121 VanDerWaalsContact O-N 3.15Å; N118-E122 WeakPolarHBondContact O-CG 3.02Å; N118-E122 PolarHBondContact O-N 2.68Å
119L95.8Very high96.4Very high96 Ų9678.8 Ų78.850%0.50343%0.434SS..Hα-helixtrans-60.1-40176.6-176.464.9000112.1L102 A115 V116 E122 L123L102-L119 HydrophobicContact CD2-CD2 4.03Å; A115-L119 PolarHBondContact O-N 3.05Å; V116-L119 PolarHBondContact O-N 2.86Å; L119-E122 PolarHBondContact O-N 3.43Å; L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 PolarHBondContact O-N 3.42Å
120T96.9Very high96.7Very high77 Ų7777.4 Ų77.447%0.47243%0.427SS..Hα-helixtrans-64.9-40.5177-56.70000111.4V116 N117 N118 L123 L124V116-T120 WeakPolarHBondContact O-CB 3.41Å; V116-T120 PolarHBondContact O-N 3.15Å; V116-T120 PolarHBondContact O-OG1 3.45Å; N117-T120 PolarHBondContact O-N 2.87Å; N118-T120 VanDerWaalsContact C-N 3.29Å; N118-T120 PolarHBondContact O-N 3.36Å; T120-L123 PolarHBondContact O-N 3.32Å; T120-L124 WeakPolarHBondContact O-CB 3.39Å; T120-L124 PolarHBondContact O-N 3.2Å
121N97.6Very high96.8Very high93 Ų9379.1 Ų79.150%0.49742%0.419SS..Hα-helixtrans-66.8-44.2175.7-72.7-24.9000111.6N117 N118 L123 L124 E125N117-N121 WeakPolarHBondContact O-CB 3.36Å; N117-N121 PolarHBondContact O-N 2.86Å; N117-N121 PolarHBondContact O-ND2 2.92Å; N118-N121 WeakPolarHBondContact O-CB 3.32Å; N118-N121 PolarHBondContact O-N 3.39Å; N118-N121 VanDerWaalsContact O-N 3.15Å; N121-L123 VanDerWaalsContact C-N 3.32Å; N121-L123 PolarHBondContact O-N 2.73Å; N121-L124 PolarHBondContact O-N 2.87Å; N121-E125 WeakPolarHBondContact O-CG 3.46Å; N121-E125 PolarHBondContact O-N 3.41Å
122E97.2Very high97Very high127 Ų12784.6 Ų84.659%0.59344%0.436SS*.Hα-helixtrans-59-44.3175.2-74.7175.1-167.200111.5N118 L119 L124 E125 S126N118-E122 WeakPolarHBondContact O-CG 3.02Å; N118-E122 PolarHBondContact O-N 2.68Å; L119-E122 PolarHBondContact O-N 3.43Å; E122-L124 PolarHBondContact O-N 3.46Å; E122-E125 PolarHBondContact O-N 2.95Å; E122-S126 VanDerWaalsContact O-CB 3.32Å; E122-S126 WeakPolarHBondContact O-CB 3.38Å; E122-S126 PolarHBondContact O-N 2.92Å
123L97.6Very high97.3Very high104 Ų10486.9 Ų86.955%0.54545%0.449SS..Hα-helixtrans-59.4-47.2174.6179.462.8000111.3L119 T120 N121 E125 S126 E127L119-L123 WeakPolarHBondContact O-CB 3.42Å; L119-L123 PolarHBondContact O-N 3.42Å; T120-L123 PolarHBondContact O-N 3.32Å; N121-L123 VanDerWaalsContact C-N 3.32Å; N121-L123 PolarHBondContact O-N 2.73Å; L123-E125 PolarHBondContact O-N 3.45Å; L123-S126 PolarHBondContact O-N 3.49Å; L123-E127 WeakPolarHBondContact O-CG 3.48Å; L123-E127 PolarHBondContact O-N 2.89Å
124L98Very high97.4Very high74 Ų7487.8 Ų87.839%0.38745%0.451SS..Hα-helixtrans-63.5-42.6179.7-178.166.6000112.3T120 N121 E122 E127 K128T120-L124 WeakPolarHBondContact O-CB 3.39Å; T120-L124 PolarHBondContact O-N 3.2Å; N121-L124 PolarHBondContact O-N 2.87Å; E122-L124 PolarHBondContact O-N 3.46Å; L124-E127 PolarHBondContact O-N 2.88Å; L124-K128 VanDerWaalsContact O-CG 3.31Å; L124-K128 WeakPolarHBondContact O-CG 3.47Å; L124-K128 PolarHBondContact O-N 3.5Å
125E98.1Very high97.6Very high99 Ų9992.4 Ų92.446%0.46346%0.461SS..Hα-helixtrans-66.2-42.2176.3-70.2-51.6129.100111.3N121 E122 L123 E127 K128 T129N121-E125 WeakPolarHBondContact O-CG 3.46Å; N121-E125 PolarHBondContact O-N 3.41Å; E122-E125 PolarHBondContact O-N 2.95Å; L123-E125 PolarHBondContact O-N 3.45Å; E125-E127 PolarHBondContact O-N 3.46Å; E125-K128 WeakPolarHBondContact O-CB 3.31Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 IonicContact OE1-NZ 2.67Å; E125-K128 PolarHBondContact OE1-NZ 2.88Å; E125-T129 WeakPolarHBondContact O-CG2 3.46Å; E125-T129 PolarHBondContact O-N 2.99Å; E125-T129 PolarHBondContact O-OG1 3.49Å
126S98.1Very high97.7Very high70 Ų7096.1 Ų96.149%0.4948%0.476SS..Hα-helixtrans-57-49.9173-173.80000111.1E122 L123 K128 T129 D130E122-S126 VanDerWaalsContact O-CB 3.32Å; E122-S126 WeakPolarHBondContact O-CB 3.38Å; E122-S126 PolarHBondContact O-N 2.92Å; L123-S126 PolarHBondContact O-N 3.49Å; S126-K128 VanDerWaalsContact C-N 3.32Å; S126-K128 PolarHBondContact O-N 2.74Å; S126-T129 PolarHBondContact O-N 3.33Å; S126-T129 PolarHBondContact O-OG1 3.06Å; S126-D130 WeakPolarHBondContact O-CB 3.41Å; S126-D130 PolarHBondContact O-N 3.17Å
127E98.4Very high97.8Very high74 Ų7498.3 Ų98.335%0.34649%0.485SS..Hα-helixtrans-59.8-39.3176.4-75.5-173-177.300113.1L123 L124 E125 D130 R131L123-E127 WeakPolarHBondContact O-CG 3.48Å; L123-E127 PolarHBondContact O-N 2.89Å; L124-E127 PolarHBondContact O-N 2.88Å; E125-E127 PolarHBondContact O-N 3.46Å; E127-D130 PolarHBondContact O-N 3.21Å; E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 VanDerWaalsContact O-CG 3.3Å; E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-N 3.22Å; E127-R131 IonicContact OE2-CZ 2.82Å; E127-R131 IonicContact OE2-NH2 3Å; E127-R131 PolarHBondContact OE2-NH2 3.36Å
128K98.1Very high97.9Very high96 Ų9697.9 Ų97.942%0.41748%0.482SS..Hα-helixtrans-62.9-44.8175.6-76.9172.4-174.6168.70111.1L124 E125 S126 R132L124-K128 VanDerWaalsContact O-CG 3.31Å; L124-K128 WeakPolarHBondContact O-CG 3.47Å; L124-K128 PolarHBondContact O-N 3.5Å; E125-K128 WeakPolarHBondContact O-CB 3.31Å; E125-K128 PolarHBondContact O-N 3.21Å; E125-K128 IonicContact OE1-NZ 2.67Å; E125-K128 PolarHBondContact OE1-NZ 2.88Å; S126-K128 VanDerWaalsContact C-N 3.32Å; S126-K128 PolarHBondContact O-N 2.74Å; K128-R132 PolarHBondContact O-N 3.44Å
129T98.2Very high98Very high65 Ų6596.1 Ų96.140%0.39948%0.481SS..Hα-helixtrans-64.6-41.4177.861.80000111.6E125 S126 R132 L133E125-T129 WeakPolarHBondContact O-CG2 3.46Å; E125-T129 PolarHBondContact O-N 2.99Å; E125-T129 PolarHBondContact O-OG1 3.49Å; S126-T129 PolarHBondContact O-N 3.33Å; S126-T129 PolarHBondContact O-OG1 3.06Å; T129-R132 WeakPolarHBondContact O-CB 3.39Å; T129-R132 PolarHBondContact O-N 3.02Å; T129-R132 VanDerWaalsContact O-N 3.09Å; T129-L133 WeakPolarHBondContact O-CG 3.39Å; T129-L133 PolarHBondContact O-N 3.45Å
130D98.1Very high98.1Very high109 Ų10996.8 Ų96.858%0.58348%0.484SS*.Hα-helixtrans-62.4-47.8177.9-165.251.3000111.5S126 E127 R132 L133 D134S126-D130 WeakPolarHBondContact O-CB 3.41Å; S126-D130 PolarHBondContact O-N 3.17Å; E127-D130 PolarHBondContact O-N 3.21Å; D130-R132 PolarHBondContact O-N 3.24Å; D130-L133 PolarHBondContact O-N 2.91Å; D130-D134 PolarHBondContact O-N 2.91Å
131R98.4Very high98.2Very high130 Ų130102.4 Ų102.449%0.49150%0.497SS..Hα-helixtrans-60.3-32.2172.9-70.5176.7-168.9144.216.2112.8E127 R135E127-R131 WeakPolarHBondContact O-CB 3.47Å; E127-R131 VanDerWaalsContact O-CG 3.3Å; E127-R131 WeakPolarHBondContact O-CG 3.39Å; E127-R131 PolarHBondContact O-N 3.22Å; E127-R131 IonicContact OE2-CZ 2.82Å; E127-R131 IonicContact OE2-NH2 3Å; E127-R131 PolarHBondContact OE2-NH2 3.36Å; R131-R135 WeakPolarHBondContact O-CG 3.41Å; R131-R135 PolarHBondContact O-N 2.93Å; R131-R135 PolarHBondContact O-NH1 3.38Å; R131-R135 VanDerWaalsContact O-NH1 3.12Å
132R98.4Very high98.3Very high140 Ų140102.8 Ų102.853%0.52850%0.503SS..Hα-helixtrans-69.8-49.1176.1-167.5-172.882.1-161.6-5.2110.4K128 T129 D130 D134 R135 E136K128-R132 PolarHBondContact O-N 3.44Å; T129-R132 WeakPolarHBondContact O-CB 3.39Å; T129-R132 PolarHBondContact O-N 3.02Å; T129-R132 VanDerWaalsContact O-N 3.09Å; D130-R132 PolarHBondContact O-N 3.24Å; R132-D134 VanDerWaalsContact C-N 3.32Å; R132-D134 PolarHBondContact O-N 3.09Å; R132-R135 PolarHBondContact O-N 3.02Å; R132-E136 WeakPolarHBondContact CG-OE1 3.3Å; R132-E136 IonicContact CZ-OE1 3.2Å; R132-E136 IonicContact NE-OE1 2.68Å; R132-E136 PolarHBondContact NE-OE1 2.89Å; R132-E136 PolarHBondContact O-N 2.96Å
133L98.5Very high98.3Very high80 Ų80103.4 Ų103.442%0.41950%0.503SS..Hα-helixtrans-61.2-40.5179.1-70.1173.2000111.8T129 D130 R135 E136 L137T129-L133 WeakPolarHBondContact O-CG 3.39Å; T129-L133 PolarHBondContact O-N 3.45Å; D130-L133 PolarHBondContact O-N 2.91Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.4Å; L133-E136 PolarHBondContact O-N 2.8Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 2.81Å
134D98.4Very high98.4Very high87 Ų87103.4 Ų103.447%0.46550%0.503SS..Hα-helixtrans-62.2-40.7176.6-173.864.4000112.2D130 R132 L137 N138D130-D134 PolarHBondContact O-N 2.91Å; R132-D134 VanDerWaalsContact C-N 3.32Å; R132-D134 PolarHBondContact O-N 3.09Å; D134-L137 PolarHBondContact O-N 2.86Å; D134-N138 WeakPolarHBondContact O-CB 3.4Å; D134-N138 VanDerWaalsContact O-CG 3.31Å; D134-N138 PolarHBondContact O-N 3.34Å; D134-N138 PolarHBondContact O-ND2 3.12Å; D134-N138 PolarHBondContact OD2-ND2 3.21Å; D134-N138 VanDerWaalsContact OD2-ND2 3.16Å
135R98.4Very high98.4Very high161 Ų161101.5 Ų101.561%0.60850%0.501SS*.Hα-helixtrans-63.5-43.9173.3-68.6179.6-158.1108.2-6.7112R131 R132 L133 N138 A139R131-R135 WeakPolarHBondContact O-CG 3.41Å; R131-R135 PolarHBondContact O-N 2.93Å; R131-R135 PolarHBondContact O-NH1 3.38Å; R131-R135 VanDerWaalsContact O-NH1 3.12Å; R132-R135 PolarHBondContact O-N 3.02Å; L133-R135 VanDerWaalsContact C-N 3.34Å; L133-R135 PolarHBondContact O-N 3.4Å; R135-N138 PolarHBondContact O-N 3.44Å; R135-A139 WeakPolarHBondContact O-CB 3.32Å; R135-A139 PolarHBondContact O-N 3.38Å
136E98.4Very high98.4Very high92 Ų92100.1 Ų100.143%0.4350%0.503SS..Hα-helixtrans-63-43.1177.4-72.1174.5-153.500111.5R132 L133 A139 L140R132-E136 WeakPolarHBondContact CG-OE1 3.3Å; R132-E136 IonicContact CZ-OE1 3.2Å; R132-E136 IonicContact NE-OE1 2.68Å; R132-E136 PolarHBondContact NE-OE1 2.89Å; R132-E136 PolarHBondContact O-N 2.96Å; L133-E136 PolarHBondContact O-N 2.8Å; E136-A139 PolarHBondContact O-N 3.32Å; E136-L140 WeakPolarHBondContact O-CB 3.45Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 2.86Å
137L98.7Very high98.4Very high111 Ų111100.6 Ų100.658%0.58150%0.503SS*.Hα-helixtrans-61.1-45.2175.5-80.2172.1000111.7L133 D134 L140 R141L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 WeakPolarHBondContact O-CG 3.38Å; L133-L137 PolarHBondContact O-N 2.81Å; D134-L137 PolarHBondContact O-N 2.86Å; L137-L140 PolarHBondContact O-N 3.3Å; L137-R141 WeakPolarHBondContact O-CB 3.32Å; L137-R141 PolarHBondContact O-N 3.01Å
138N98.4Very high98.4Very high77 Ų77101.5 Ų101.541%0.41251%0.509SS..Hα-helixtrans-65-39.7177.1-75.1-41.2000112D134 R135 R141 T142D134-N138 WeakPolarHBondContact O-CB 3.4Å; D134-N138 VanDerWaalsContact O-CG 3.31Å; D134-N138 PolarHBondContact O-N 3.34Å; D134-N138 PolarHBondContact O-ND2 3.12Å; D134-N138 PolarHBondContact OD2-ND2 3.21Å; D134-N138 VanDerWaalsContact OD2-ND2 3.16Å; R135-N138 PolarHBondContact O-N 3.44Å; N138-R141 PolarHBondContact O-N 3.16Å; N138-T142 WeakPolarHBondContact O-CG2 3.29Å; N138-T142 PolarHBondContact O-N 2.9Å; N138-T142 PolarHBondContact O-OG1 2.88Å
139A98.5Very high98.4Very high56 Ų56101.5 Ų101.546%0.46352%0.517SS..Hα-helixtrans-64.5-41.2173.900000112.2R135 E136 T142 K143R135-A139 WeakPolarHBondContact O-CB 3.32Å; R135-A139 PolarHBondContact O-N 3.38Å; E136-A139 PolarHBondContact O-N 3.32Å; A139-T142 PolarHBondContact O-N 3Å; A139-T142 PolarHBondContact O-OG1 3.28Å; A139-K143 WeakPolarHBondContact O-CB 3.42Å; A139-K143 PolarHBondContact O-N 3.23Å
140L98.4Very high98.4Very high111 Ų111102.6 Ų102.658%0.58152%0.52SS*.Hα-helixtrans-64.9-39.8174.5-77170.7000111.7E136 L137 K143 L144E136-L140 WeakPolarHBondContact O-CB 3.45Å; E136-L140 WeakPolarHBondContact O-CG 3.39Å; E136-L140 PolarHBondContact O-N 2.86Å; L137-L140 PolarHBondContact O-N 3.3Å; L140-K143 PolarHBondContact O-N 2.94Å; L140-L144 VanDerWaalsContact O-CB 3.32Å; L140-L144 WeakPolarHBondContact O-CB 3.36Å; L140-L144 PolarHBondContact O-N 3.43Å
141R98.5Very high98.4Very high194 Ų194105.8 Ų105.873%0.73252%0.524SS*.Hα-helixtrans-63.7-43.1178-171.8174.9-175.3154.71.7112L137 N138 L144 G145L137-R141 WeakPolarHBondContact O-CB 3.32Å; L137-R141 PolarHBondContact O-N 3.01Å; N138-R141 PolarHBondContact O-N 3.16Å; R141-L144 PolarHBondContact O-N 3.02Å; R141-G145 PolarHBondContact O-N 2.85Å
142T98.4Very high98.4Very high102 Ų102105.9 Ų105.963%0.62653%0.528SS*.Hα-helixtrans-66.3-42.7176.254.40000111.6N138 A139 L144 G145 S146N138-T142 WeakPolarHBondContact O-CG2 3.29Å; N138-T142 PolarHBondContact O-N 2.9Å; N138-T142 PolarHBondContact O-OG1 2.88Å; A139-T142 PolarHBondContact O-N 3Å; A139-T142 PolarHBondContact O-OG1 3.28Å; T142-L144 PolarHBondContact O-N 3.34Å; T142-G145 PolarHBondContact O-N 3.49Å; T142-S146 PolarHBondContact O-N 3.04Å
143K98.5Very high98.4Very high139 Ų139101.7 Ų101.760%0.60452%0.518SS*.Hα-helixtrans-62.6-40.6174.4-171.8177.7-178.2179.80112.5A139 L140 G145 S146 V147A139-K143 WeakPolarHBondContact O-CB 3.42Å; A139-K143 PolarHBondContact O-N 3.23Å; L140-K143 PolarHBondContact O-N 2.94Å; K143-G145 VanDerWaalsContact C-N 3.31Å; K143-G145 PolarHBondContact O-N 3.5Å; K143-S146 PolarHBondContact O-N 3.05Å; K143-S146 PolarHBondContact O-OG 3.44Å; K143-V147 VanDerWaalsContact O-CG2 3.29Å; K143-V147 WeakPolarHBondContact O-CG2 3.31Å; K143-V147 PolarHBondContact O-N 3.49Å
144L98.5Very high98.4Very high104 Ų104103.4 Ų103.455%0.54552%0.523SS..Hα-helixtrans-62.1-42.9175.1178.961.4000110.8L140 R141 T142 S146 V147 L148L140-L144 VanDerWaalsContact O-CB 3.32Å; L140-L144 WeakPolarHBondContact O-CB 3.36Å; L140-L144 PolarHBondContact O-N 3.43Å; R141-L144 PolarHBondContact O-N 3.02Å; T142-L144 PolarHBondContact O-N 3.34Å; L144-S146 PolarHBondContact O-N 3.39Å; L144-V147 PolarHBondContact O-N 3.37Å; L144-L148 HydrophobicContact CD1-CD1 4.28Å; L144-L148 HydrophobicContact CD1-CG 4.22Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 HydrophobicContact CG-CG 4.47Å; L144-L148 WeakPolarHBondContact O-CB 3.43Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 3.48Å
145G98.4Very high98.4Very high34 Ų34104 Ų10435%0.35152%0.523SS..Hα-helixtrans-56.1-48.3174.400000112.6R141 T142 K143 L148 V149R141-G145 PolarHBondContact O-N 2.85Å; T142-G145 PolarHBondContact O-N 3.49Å; K143-G145 VanDerWaalsContact C-N 3.31Å; K143-G145 PolarHBondContact O-N 3.5Å; G145-L148 PolarHBondContact O-N 3.36Å; G145-V149 WeakPolarHBondContact O-CG2 3.41Å; G145-V149 PolarHBondContact O-N 3.47Å; G145-V149 VanDerWaalsContact O-N 3.14Å
146S98.3Very high98.4Very high71 Ų71100.5 Ų100.550%0.49751%0.513SS..Hα-helixtrans-66-40.8179.4670000112.8T142 K143 L144 L148 V149 L150T142-S146 PolarHBondContact O-N 3.04Å; K143-S146 PolarHBondContact O-N 3.05Å; K143-S146 PolarHBondContact O-OG 3.44Å; L144-S146 PolarHBondContact O-N 3.39Å; S146-L148 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 3.37Å; S146-V149 PolarHBondContact O-N 3.01Å; S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 PolarHBondContact O-N 3.38Å
147V98.4Very high98.4Very high79 Ų7999.4 Ų99.448%0.47951%0.51SS..Hα-helixtrans-63.9-39.3176.4170.90000111.5K143 L144 L150 R151K143-V147 VanDerWaalsContact O-CG2 3.29Å; K143-V147 WeakPolarHBondContact O-CG2 3.31Å; K143-V147 PolarHBondContact O-N 3.49Å; L144-V147 PolarHBondContact O-N 3.37Å; V147-L150 PolarHBondContact O-N 2.93Å; V147-R151 WeakPolarHBondContact O-CB 3.38Å; V147-R151 PolarHBondContact O-N 3.03Å
148L98.4Very high98.4Very high93 Ų9399.1 Ų99.149%0.48751%0.508SS..Hα-helixtrans-65.4-40.7177.1-75.1172.9000112.2L144 G145 S146 R151 K152L144-L148 HydrophobicContact CD1-CD1 4.28Å; L144-L148 HydrophobicContact CD1-CG 4.22Å; L144-L148 HydrophobicContact CG-CD1 4.1Å; L144-L148 HydrophobicContact CG-CG 4.47Å; L144-L148 WeakPolarHBondContact O-CB 3.43Å; L144-L148 VanDerWaalsContact O-CG 3.31Å; L144-L148 WeakPolarHBondContact O-CG 3.31Å; L144-L148 PolarHBondContact O-N 3.48Å; G145-L148 PolarHBondContact O-N 3.36Å; S146-L148 VanDerWaalsContact C-N 3.35Å; S146-L148 PolarHBondContact O-N 3.37Å; L148-R151 PolarHBondContact O-N 3.09Å; L148-K152 PolarHBondContact O-N 3.14Å; L148-K152 VanDerWaalsContact O-N 3.11Å
149V98.3Very high98.4Very high97 Ų97101.1 Ų101.159%0.58851%0.513SS*.Hα-helixtrans-61.6-48.6173.6173.30000110.3G145 S146 R151 K152 T153G145-V149 WeakPolarHBondContact O-CG2 3.41Å; G145-V149 PolarHBondContact O-N 3.47Å; G145-V149 VanDerWaalsContact O-N 3.14Å; S146-V149 PolarHBondContact O-N 3.01Å; V149-R151 VanDerWaalsContact C-N 3.32Å; V149-R151 PolarHBondContact O-N 3.34Å; V149-K152 WeakPolarHBondContact O-CB 3.47Å; V149-K152 PolarHBondContact O-N 3.43Å; V149-K152 VanDerWaalsContact O-N 3.09Å; V149-T153 PolarHBondContact O-N 2.81Å
150L98.3Very high98.4Very high88 Ų88104.2 Ų104.246%0.46152%0.516SS..Hα-helixtrans-62-38.1179.1-176.363.7000112.6S146 V147 K152 T153 F154S146-L150 WeakPolarHBondContact O-CB 3.49Å; S146-L150 PolarHBondContact O-N 3.38Å; V147-L150 PolarHBondContact O-N 2.93Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.45Å; L150-T153 WeakPolarHBondContact CA-OG1 3.44Å; L150-T153 PolarHBondContact O-N 2.95Å; L150-T153 PolarHBondContact O-OG1 3.3Å; L150-F154 HydrophobicContact CD1-CD2 4.17Å; L150-F154 HydrophobicContact CD1-CE2 3.71Å; L150-F154 HydrophobicContact CD1-CZ 3.91Å; L150-F154 HydrophobicContact CD2-CE2 3.79Å; L150-F154 HydrophobicContact CD2-CZ 4.43Å; L150-F154 HydrophobicContact CG-CD2 3.83Å; L150-F154 HydrophobicContact CG-CE2 3.48Å; L150-F154 VanDerWaalsContact CG-CE2 3.48Å; L150-F154 HydrophobicContact CG-CZ 4.19Å; L150-F154 VanDerWaalsContact O-CD2 3.31Å; L150-F154 WeakPolarHBondContact O-CD2 3.28Å; L150-F154 PolarHBondContact O-N 2.98Å
151R98.1Very high98.3Very high175 Ų175103.4 Ų103.466%0.6652%0.516SS*.Hα-helixtrans-60.3-43173.8176.9-178.7170.8179.6-1111.2V147 L148 V149 F154 Q155V147-R151 WeakPolarHBondContact O-CB 3.38Å; V147-R151 PolarHBondContact O-N 3.03Å; L148-R151 PolarHBondContact O-N 3.09Å; V149-R151 VanDerWaalsContact C-N 3.32Å; V149-R151 PolarHBondContact O-N 3.34Å; R151-F154 PolarHBondContact O-N 2.86Å; R151-Q155 WeakPolarHBondContact O-CB 3.31Å; R151-Q155 PolarHBondContact O-N 3.11Å
152K98.3Very high98.3Very high132 Ų13299.4 Ų99.457%0.57451%0.507SS*.Hα-helixtrans-64.3-44.8178.7-172.3-179176.1-175.70111.1L148 V149 L150 Q155 E156L148-K152 PolarHBondContact O-N 3.14Å; L148-K152 VanDerWaalsContact O-N 3.11Å; V149-K152 WeakPolarHBondContact O-CB 3.47Å; V149-K152 PolarHBondContact O-N 3.43Å; V149-K152 VanDerWaalsContact O-N 3.09Å; L150-K152 VanDerWaalsContact C-N 3.31Å; L150-K152 PolarHBondContact O-N 3.45Å; K152-Q155 PolarHBondContact O-N 3.35Å; K152-E156 WeakPolarHBondContact CE-OE1 3.49Å; K152-E156 PolarHBondContact O-N 2.85Å
153T98.3Very high98.3Very high53 Ų53101.5 Ų101.533%0.32551%0.507SS..Hα-helixtrans-62.5-44.4177.457.80000111.4V149 L150 Q155 E156 D157V149-T153 PolarHBondContact O-N 2.81Å; L150-T153 WeakPolarHBondContact CA-OG1 3.44Å; L150-T153 PolarHBondContact O-N 2.95Å; L150-T153 PolarHBondContact O-OG1 3.3Å; T153-Q155 VanDerWaalsContact C-N 3.31Å; T153-Q155 PolarHBondContact O-N 3.12Å; T153-E156 WeakPolarHBondContact O-CB 3.41Å; T153-E156 PolarHBondContact O-N 3.45Å; T153-E156 VanDerWaalsContact O-N 3.13Å; T153-D157 PolarHBondContact O-N 3.41Å
154F98.2Very high98.2Very high116 Ų11697.9 Ų97.951%0.50950%0.503SS..Hα-helixtrans-61.2-38.8175.5-77.9-42.5000113L150 R151 E156 D157 I158L150-F154 HydrophobicContact CD1-CD2 4.17Å; L150-F154 HydrophobicContact CD1-CE2 3.71Å; L150-F154 HydrophobicContact CD1-CZ 3.91Å; L150-F154 HydrophobicContact CD2-CE2 3.79Å; L150-F154 HydrophobicContact CD2-CZ 4.43Å; L150-F154 HydrophobicContact CG-CD2 3.83Å; L150-F154 HydrophobicContact CG-CE2 3.48Å; L150-F154 VanDerWaalsContact CG-CE2 3.48Å; L150-F154 HydrophobicContact CG-CZ 4.19Å; L150-F154 VanDerWaalsContact O-CD2 3.31Å; L150-F154 WeakPolarHBondContact O-CD2 3.28Å; L150-F154 PolarHBondContact O-N 2.98Å; R151-F154 PolarHBondContact O-N 2.86Å; F154-E156 VanDerWaalsContact C-N 3.3Å; F154-E156 PolarHBondContact O-N 3.13Å; F154-D157 PolarHBondContact O-N 2.9Å; F154-I158 WeakPolarHBondContact O-CB 3.46Å; F154-I158 VanDerWaalsContact O-CG1 3.28Å; F154-I158 WeakPolarHBondContact O-CG1 3.47Å; F154-I158 PolarHBondContact O-N 2.93Å
155Q98.5Very high98.2Very high100 Ų10098.8 Ų98.847%0.46750%0.504SS..Hα-helixtrans-64-37.7176.3-171.2179.9-0.500112R151 K152 T153 K159R151-Q155 WeakPolarHBondContact O-CB 3.31Å; R151-Q155 PolarHBondContact O-N 3.11Å; K152-Q155 PolarHBondContact O-N 3.35Å; T153-Q155 VanDerWaalsContact C-N 3.31Å; T153-Q155 PolarHBondContact O-N 3.12Å; Q155-K159 WeakPolarHBondContact O-CG 3.46Å; Q155-K159 PolarHBondContact O-N 3.45Å
156E98.2Very high98.1Very high87 Ų87103.2 Ų103.241%0.40752%0.516SS..Hα-helixtrans-67.6-41.8174.9-71.5173.2-168.400111.8K152 T153 F154 K159 K160K152-E156 WeakPolarHBondContact CE-OE1 3.49Å; K152-E156 PolarHBondContact O-N 2.85Å; T153-E156 WeakPolarHBondContact O-CB 3.41Å; T153-E156 PolarHBondContact O-N 3.45Å; T153-E156 VanDerWaalsContact O-N 3.13Å; F154-E156 VanDerWaalsContact C-N 3.3Å; F154-E156 PolarHBondContact O-N 3.13Å; E156-K159 WeakPolarHBondContact O-CB 3.47Å; E156-K159 PolarHBondContact O-N 3.06Å; E156-K160 WeakPolarHBondContact O-CG 3.36Å; E156-K160 PolarHBondContact O-N 3.36Å
157D98.3Very high98.1Very high69 Ų69103.6 Ų103.637%0.36952%0.515SS..Hα-helixtrans-68.1-40.4179.1-68.9-21000112T153 F154 K159 K160 T161T153-D157 PolarHBondContact O-N 3.41Å; F154-D157 PolarHBondContact O-N 2.9Å; D157-K159 VanDerWaalsContact C-N 3.28Å; D157-K159 PolarHBondContact O-N 3.24Å; D157-K160 PolarHBondContact O-N 2.99Å; D157-K160 VanDerWaalsContact O-N 3.11Å; D157-K160 IonicContact OD1-NZ 3.97Å; D157-K160 PolarHBondContact OD1-NZ 3.48Å; D157-T161 PolarHBondContact O-N 3.33Å; D157-T161 PolarHBondContact O-OG1 3.47Å; D157-T161 VanDerWaalsContact O-OG1 3.12Å
158I98.4Very high98Very high105 Ų105103.6 Ų103.654%0.53851%0.51SS..Hα-helixtrans-55.6-46.1171.2-72.1167.8000110.4F154 K160 T161 M162F154-I158 WeakPolarHBondContact O-CB 3.46Å; F154-I158 VanDerWaalsContact O-CG1 3.28Å; F154-I158 WeakPolarHBondContact O-CG1 3.47Å; F154-I158 PolarHBondContact O-N 2.93Å; I158-K160 VanDerWaalsContact C-N 3.33Å; I158-K160 PolarHBondContact O-N 3.11Å; I158-T161 PolarHBondContact O-N 2.96Å; I158-M162 HydrophobicContact CG2-CG 4.33Å; I158-M162 HydrophobicContact CG2-SD 4.11Å; I158-M162 WeakPolarHBondContact O-CB 3.49Å; I158-M162 VanDerWaalsContact O-CG 3.31Å; I158-M162 WeakPolarHBondContact O-CG 3.31Å; I158-M162 PolarHBondContact O-N 3.22Å
159K98.4Very high97.9Very high119 Ų119101.6 Ų101.652%0.51750%0.504SS..Hα-helixtrans-62-39.3178-73.8174.4-179.1179.50112.3Q155 E156 D157 K163Q155-K159 WeakPolarHBondContact O-CG 3.46Å; Q155-K159 PolarHBondContact O-N 3.45Å; E156-K159 WeakPolarHBondContact O-CB 3.47Å; E156-K159 PolarHBondContact O-N 3.06Å; D157-K159 VanDerWaalsContact C-N 3.28Å; D157-K159 PolarHBondContact O-N 3.24Å; K159-K163 WeakPolarHBondContact O-CG 3.45Å; K159-K163 PolarHBondContact O-N 3Å
160K98.3Very high97.8Very high121 Ų12199.6 Ų99.653%0.52650%0.498SS..Hα-helixtrans-65.8-46.4176-68.4170.8-165155.90111E156 D157 I158 M162 K163 A164E156-K160 WeakPolarHBondContact O-CG 3.36Å; E156-K160 PolarHBondContact O-N 3.36Å; D157-K160 PolarHBondContact O-N 2.99Å; D157-K160 VanDerWaalsContact O-N 3.11Å; D157-K160 IonicContact OD1-NZ 3.97Å; D157-K160 PolarHBondContact OD1-NZ 3.48Å; I158-K160 VanDerWaalsContact C-N 3.33Å; I158-K160 PolarHBondContact O-N 3.11Å; K160-M162 PolarHBondContact O-N 3.46Å; K160-K163 PolarHBondContact O-N 3.21Å; K160-A164 PolarHBondContact O-N 2.91Å
161T98.1Very high97.8Very high93 Ų9399.9 Ų99.957%0.57150%0.495SS*.Hα-helixtrans-63.6-40.7179.5-59.80000111.6D157 I158 K163 A164 Q165D157-T161 PolarHBondContact O-N 3.33Å; D157-T161 PolarHBondContact O-OG1 3.47Å; D157-T161 VanDerWaalsContact O-OG1 3.12Å; I158-T161 PolarHBondContact O-N 2.96Å; T161-K163 PolarHBondContact O-N 3.23Å; T161-A164 PolarHBondContact O-N 2.82Å; T161-Q165 WeakPolarHBondContact O-CB 3.34Å; T161-Q165 PolarHBondContact O-N 3.26Å
162M98Very high97.7Very high111 Ų11193.9 Ų93.955%0.54748%0.483SS..Hα-helixtrans-58.3-47.2174.5-75.6-17771.100111.8I158 K160 A164 Q165 E166I158-M162 HydrophobicContact CG2-CG 4.33Å; I158-M162 HydrophobicContact CG2-SD 4.11Å; I158-M162 WeakPolarHBondContact O-CB 3.49Å; I158-M162 VanDerWaalsContact O-CG 3.31Å; I158-M162 WeakPolarHBondContact O-CG 3.31Å; I158-M162 PolarHBondContact O-N 3.22Å; K160-M162 PolarHBondContact O-N 3.46Å; M162-A164 PolarHBondContact O-N 2.85Å; M162-Q165 WeakPolarHBondContact O-CB 3.3Å; M162-Q165 PolarHBondContact O-N 3.01Å; M162-E166 WeakPolarHBondContact O-CG 3.43Å; M162-E166 PolarHBondContact O-N 3.25Å
163K97.8Very high97.6Very high146 Ų14693.6 Ų93.664%0.63548%0.483SS*.Hα-helixtrans-62-41.9176.7-70.1178.2179.5-172.10112.4K159 K160 T161 Q165 E166 V167K159-K163 WeakPolarHBondContact O-CG 3.45Å; K159-K163 PolarHBondContact O-N 3Å; K160-K163 PolarHBondContact O-N 3.21Å; T161-K163 PolarHBondContact O-N 3.23Å; K163-Q165 VanDerWaalsContact C-N 3.31Å; K163-E166 PolarHBondContact O-N 3.22Å; K163-V167 WeakPolarHBondContact O-CG2 3.46Å; K163-V167 PolarHBondContact O-N 3.39Å
164A97.4Very high97.5Very high62 Ų6297.6 Ų97.651%0.51250%0.499SS..Hα-helixtrans-64.3-39.3176.700000111.6K160 T161 M162 V167 E168K160-A164 PolarHBondContact O-N 2.91Å; T161-A164 PolarHBondContact O-N 2.82Å; M162-A164 PolarHBondContact O-N 2.85Å; A164-V167 PolarHBondContact O-N 2.9Å; A164-E168 PolarHBondContact O-N 3.48Å
165Q97.7Very high97.4Very high123 Ų12399.2 Ų99.258%0.57550%0.501SS*.Hα-helixtrans-64.7-42.1177.1-176.961.827.400112T161 M162 K163 V167 E168 S169T161-Q165 WeakPolarHBondContact O-CB 3.34Å; T161-Q165 PolarHBondContact O-N 3.26Å; M162-Q165 WeakPolarHBondContact O-CB 3.3Å; M162-Q165 PolarHBondContact O-N 3.01Å; K163-Q165 VanDerWaalsContact C-N 3.31Å; Q165-V167 VanDerWaalsContact C-N 3.32Å; Q165-V167 PolarHBondContact O-N 3.34Å; Q165-E168 PolarHBondContact O-N 3.03Å; Q165-S169 VanDerWaalsContact O-CB 3.31Å; Q165-S169 WeakPolarHBondContact O-CB 3.46Å; Q165-S169 PolarHBondContact O-N 3.33Å
166E97.4Very high97.3Very high127 Ų12799.2 Ų99.259%0.59350%0.504SS*.Hα-helixtrans-58.6-44.9174.7-74.2169.7-175.100111.3M162 K163 S169 A170M162-E166 WeakPolarHBondContact O-CG 3.43Å; M162-E166 PolarHBondContact O-N 3.25Å; K163-E166 PolarHBondContact O-N 3.22Å; E166-S169 PolarHBondContact O-N 3.26Å; E166-A170 PolarHBondContact O-N 3Å
167V97.4Very high97.2Very high80 Ų80100.9 Ų100.949%0.48552%0.515SS..Hα-helixtrans-64.4-44.7177.8173.40000111.7K163 A164 Q165 S169 A170 K171K163-V167 WeakPolarHBondContact O-CG2 3.46Å; K163-V167 PolarHBondContact O-N 3.39Å; A164-V167 PolarHBondContact O-N 2.9Å; Q165-V167 VanDerWaalsContact C-N 3.32Å; Q165-V167 PolarHBondContact O-N 3.34Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-A170 PolarHBondContact O-N 3.34Å; V167-K171 HydrophobicContact CG1-CD 4.36Å; V167-K171 WeakPolarHBondContact O-CG 3.43Å; V167-K171 PolarHBondContact O-N 3.17Å; V167-K171 VanDerWaalsContact O-N 3.07Å
168E96.3Very high97.2Very high79 Ų79102.3 Ų102.337%0.36952%0.523SS..Hα-helixtrans-69.9-33.4179.4-165.959-151.100111.9A164 Q165 K171 A172 R175A164-E168 PolarHBondContact O-N 3.48Å; Q165-E168 PolarHBondContact O-N 3.03Å; E168-K171 PolarHBondContact O-N 3.38Å; E168-A172 WeakPolarHBondContact O-CB 3.49Å; E168-A172 PolarHBondContact O-N 2.97Å; E168-R175 IonicContact OE1-CZ 3.25Å; E168-R175 IonicContact OE1-NH1 3.19Å; E168-R175 PolarHBondContact OE1-NH1 3.5Å; E168-R175 IonicContact OE1-NH2 3.03Å
169S96.5Very high97.1Very high50 Ų50102.4 Ų102.435%0.3552%0.522SS..Hα-helixtrans-60.4-48.3172.6-166.50000111.2Q165 E166 V167 K171 A172 E173Q165-S169 VanDerWaalsContact O-CB 3.31Å; Q165-S169 WeakPolarHBondContact O-CB 3.46Å; Q165-S169 PolarHBondContact O-N 3.33Å; E166-S169 PolarHBondContact O-N 3.26Å; V167-S169 VanDerWaalsContact C-N 3.34Å; S169-K171 VanDerWaalsContact C-N 3.33Å; S169-K171 PolarHBondContact O-N 3.45Å; S169-A172 PolarHBondContact O-N 2.88Å; S169-E173 WeakPolarHBondContact O-CG 3.39Å; S169-E173 PolarHBondContact O-N 3.45Å
170A96.6Very high97Very high56 Ų56100.4 Ų100.446%0.46352%0.517SS..Hα-helixtrans-60.9-41.4177.300000112E166 V167 E173 E174E166-A170 PolarHBondContact O-N 3Å; V167-A170 PolarHBondContact O-N 3.34Å; A170-E173 PolarHBondContact O-N 3.44Å; A170-E174 PolarHBondContact O-N 2.95Å
171K97Very high97Very high94 Ų94101.2 Ų101.241%0.40952%0.521SS..Hα-helixtrans-65.4-38.7174.8-73175.9-179.3175.30112.7V167 E168 S169 E174 R175V167-K171 HydrophobicContact CG1-CD 4.36Å; V167-K171 WeakPolarHBondContact O-CG 3.43Å; V167-K171 PolarHBondContact O-N 3.17Å; V167-K171 VanDerWaalsContact O-N 3.07Å; E168-K171 PolarHBondContact O-N 3.38Å; S169-K171 VanDerWaalsContact C-N 3.33Å; S169-K171 PolarHBondContact O-N 3.45Å; K171-E174 PolarHBondContact O-N 3.42Å; K171-R175 VanDerWaalsContact O-CG 3.29Å; K171-R175 WeakPolarHBondContact O-CG 3.43Å; K171-R175 PolarHBondContact O-N 3.37Å
172A96.5Very high96.9Very high48 Ų48100.6 Ų100.640%0.39752%0.517SS..Hα-helixtrans-65.5-41.6177.400000111.2E168 S169 R175 L176E168-A172 WeakPolarHBondContact O-CB 3.49Å; E168-A172 PolarHBondContact O-N 2.97Å; S169-A172 PolarHBondContact O-N 2.88Å; A172-R175 PolarHBondContact O-N 3.41Å; A172-L176 WeakPolarHBondContact O-CB 3.34Å; A172-L176 PolarHBondContact O-N 3.4Å
173E96.8Very high96.9Very high126 Ų126101.3 Ų101.359%0.58952%0.517SS*.Hα-helixtrans-60.9-46173.1-74.1175.4-162.300111.8S169 A170 R175 L176 L177S169-E173 WeakPolarHBondContact O-CG 3.39Å; S169-E173 PolarHBondContact O-N 3.45Å; A170-E173 PolarHBondContact O-N 3.44Å; E173-R175 PolarHBondContact O-N 3Å; E173-L176 WeakPolarHBondContact O-CB 3.49Å; E173-L176 PolarHBondContact O-N 3.35Å; E173-L177 PolarHBondContact O-N 3.41Å
174E96.4Very high96.9Very high138 Ų13897.1 Ų97.165%0.64551%0.51SS*.Hα-helixtrans-58.2-46.7175.3-173.1-168.8166.200111.8A170 K171 L176 L177 N178A170-E174 PolarHBondContact O-N 2.95Å; K171-E174 PolarHBondContact O-N 3.42Å; E174-L176 VanDerWaalsContact C-N 3.28Å; E174-L176 PolarHBondContact O-N 3.07Å; E174-L177 PolarHBondContact O-N 2.85Å; E174-N178 WeakPolarHBondContact O-CB 3.41Å; E174-N178 PolarHBondContact O-N 3.36Å
175R96.4Very high96.9Very high150 Ų15098.1 Ų98.157%0.56650%0.502SS*.Hα-helixtrans-61.1-37.8177-73.2174.4-169.9141.33111.9E168 K171 A172 E173 N178 M179E168-R175 IonicContact OE1-CZ 3.25Å; E168-R175 IonicContact OE1-NH1 3.19Å; E168-R175 PolarHBondContact OE1-NH1 3.5Å; E168-R175 IonicContact OE1-NH2 3.03Å; K171-R175 VanDerWaalsContact O-CG 3.29Å; K171-R175 WeakPolarHBondContact O-CG 3.43Å; K171-R175 PolarHBondContact O-N 3.37Å; A172-R175 PolarHBondContact O-N 3.41Å; E173-R175 PolarHBondContact O-N 3Å; R175-N178 PolarHBondContact O-N 3.17Å; R175-M179 WeakPolarHBondContact O-CB 3.42Å; R175-M179 PolarHBondContact O-N 2.83Å
176L96.4Very high96.9Very high100 Ų10095.8 Ų95.852%0.52450%0.5SS..Hα-helixtrans-66.7-45.3179.3-165145.6000110.9A172 E173 E174 N178 M179 D180A172-L176 WeakPolarHBondContact O-CB 3.34Å; A172-L176 PolarHBondContact O-N 3.4Å; E173-L176 WeakPolarHBondContact O-CB 3.49Å; E173-L176 PolarHBondContact O-N 3.35Å; E174-L176 VanDerWaalsContact C-N 3.28Å; E174-L176 PolarHBondContact O-N 3.07Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.42Å; L176-M179 WeakPolarHBondContact O-CB 3.41Å; L176-M179 PolarHBondContact O-N 3.04Å; L176-D180 PolarHBondContact O-N 3.44Å
177L96.1Very high96.9Very high122 Ų12296.7 Ų96.764%0.63950%0.502SS*.Hα-helixtrans-60.3-43.3173.3-69.9172.8000112E173 E174 D180 F181E173-L177 PolarHBondContact O-N 3.41Å; E174-L177 PolarHBondContact O-N 2.85Å; L177-D180 PolarHBondContact O-N 2.98Å; L177-F181 PolarHBondContact O-N 3Å
178N97.1Very high96.9Very high98 Ų9895.2 Ų95.252%0.52449%0.491SS..Hα-helixtrans-64.9-39.6177.5-172.352.2000112E174 R175 L176 D180 F181 V182E174-N178 WeakPolarHBondContact O-CB 3.41Å; E174-N178 PolarHBondContact O-N 3.36Å; R175-N178 PolarHBondContact O-N 3.17Å; L176-N178 VanDerWaalsContact C-N 3.34Å; L176-N178 PolarHBondContact O-N 3.42Å; N178-D180 PolarHBondContact O-N 3.27Å; N178-F181 PolarHBondContact O-N 2.96Å; N178-V182 WeakPolarHBondContact O-CG2 3.46Å; N178-V182 PolarHBondContact O-N 3.33Å
179M96.8Very high96.9Very high107 Ų10795.4 Ų95.453%0.52749%0.494SS..Hα-helixtrans-60.1-45.5174.7-177.8-170.167.400111.3R175 L176 F181 V182 K183R175-M179 WeakPolarHBondContact O-CB 3.42Å; R175-M179 PolarHBondContact O-N 2.83Å; L176-M179 WeakPolarHBondContact O-CB 3.41Å; L176-M179 PolarHBondContact O-N 3.04Å; M179-F181 VanDerWaalsContact C-N 3.34Å; M179-F181 PolarHBondContact O-N 3.46Å; M179-V182 PolarHBondContact O-N 3.34Å; M179-K183 VanDerWaalsContact O-CB 3.3Å; M179-K183 WeakPolarHBondContact O-CB 3.45Å; M179-K183 PolarHBondContact O-N 3.21Å
180D96.6Very high96.9Very high78 Ų7896.7 Ų96.742%0.41750%0.503SS..Hα-helixtrans-63.1-40.9177.9-75.1-24.5000111.8L176 L177 N178 K183 A184L176-D180 PolarHBondContact O-N 3.44Å; L177-D180 PolarHBondContact O-N 2.98Å; N178-D180 PolarHBondContact O-N 3.27Å; D180-K183 PolarHBondContact O-N 3.25Å; D180-A184 WeakPolarHBondContact O-CB 3.45Å; D180-A184 PolarHBondContact O-N 2.86Å
181F97.3Very high97Very high137 Ų137101.6 Ų101.660%0.60151%0.511SS*.Hα-helixtrans-60-50.4173.5175.6-96.8000112.2L177 N178 M179 K183 A184 K185L177-F181 PolarHBondContact O-N 3Å; N178-F181 PolarHBondContact O-N 2.96Å; M179-F181 VanDerWaalsContact C-N 3.34Å; M179-F181 PolarHBondContact O-N 3.46Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 3.36Å; F181-A184 PolarHBondContact O-N 3.28Å; F181-K185 WeakPolarHBondContact O-CB 3.46Å; F181-K185 PolarHBondContact O-N 3.4Å
182V97.1Very high96.9Very high80 Ų80103.7 Ų103.749%0.48552%0.516SS..Hα-helixtrans-61.4-40.4179.2171.80000110.8N178 M179 K185 S186N178-V182 WeakPolarHBondContact O-CG2 3.46Å; N178-V182 PolarHBondContact O-N 3.33Å; M179-V182 PolarHBondContact O-N 3.34Å; V182-K185 PolarHBondContact O-N 3.42Å; V182-S186 WeakPolarHBondContact O-CB 3.36Å; V182-S186 PolarHBondContact O-N 2.97Å
183K97.5Very high96.9Very high126 Ų126106.1 Ų106.155%0.54852%0.523SS..Hα-helixtrans-64.1-42.6176.8-168.9176-174.7177.20111.8M179 D180 F181 K187M179-K183 VanDerWaalsContact O-CB 3.3Å; M179-K183 WeakPolarHBondContact O-CB 3.45Å; M179-K183 PolarHBondContact O-N 3.21Å; D180-K183 PolarHBondContact O-N 3.25Å; F181-K183 VanDerWaalsContact C-N 3.29Å; F181-K183 PolarHBondContact O-N 3.36Å; K183-K187 WeakPolarHBondContact O-CG 3.36Å; K183-K187 PolarHBondContact O-N 2.96Å
184A97.3Very high96.8Very high59 Ų59106.2 Ų106.249%0.48852%0.521SS..Hα-helixtrans-63.4-43.5174.100000111.5D180 F181 K187 D188D180-A184 WeakPolarHBondContact O-CB 3.45Å; D180-A184 PolarHBondContact O-N 2.86Å; F181-A184 PolarHBondContact O-N 3.28Å; A184-K187 PolarHBondContact O-N 3.22Å; A184-D188 PolarHBondContact O-N 3.46Å
185K97.5Very high96.8Very high83 Ų83104.8 Ų104.836%0.36151%0.513SS..Hα-helixtrans-66-40.4179.6-173.160.6-176.7168.40112.7F181 V182 K187 D188 L189F181-K185 WeakPolarHBondContact O-CB 3.46Å; F181-K185 PolarHBondContact O-N 3.4Å; V182-K185 PolarHBondContact O-N 3.42Å; K185-K187 VanDerWaalsContact C-N 3.33Å; K185-K187 PolarHBondContact O-N 2.97Å; K185-D188 IonicContact NZ-OD2 2.86Å; K185-D188 PolarHBondContact NZ-OD2 3.39Å; K185-D188 PolarHBondContact O-N 2.96Å; K185-L189 HydrophobicContact CG-CD1 4.36Å; K185-L189 WeakPolarHBondContact O-CG 3.49Å; K185-L189 PolarHBondContact O-N 2.95Å
186S97.2Very high96.5Very high74 Ų7499.7 Ų99.752%0.51750%0.503SS..Hα-helixtrans-59.2-43.6174.6176.30000111.6V182 L189 S190V182-S186 WeakPolarHBondContact O-CB 3.36Å; V182-S186 PolarHBondContact O-N 2.97Å; S186-L189 PolarHBondContact O-N 3.05Å; S186-S190 WeakPolarHBondContact O-CB 3.47Å; S186-S190 PolarHBondContact O-N 3.29Å
187K97.4Very high96.2Very high145 Ų145100.3 Ų100.363%0.6350%0.503SS*.Hα-helixtrans-62.5-44.6174.8-72.1179.3177.9-175.60112.6K183 A184 K185 S190 Y191K183-K187 WeakPolarHBondContact O-CG 3.36Å; K183-K187 PolarHBondContact O-N 2.96Å; A184-K187 PolarHBondContact O-N 3.22Å; K185-K187 VanDerWaalsContact C-N 3.33Å; K185-K187 PolarHBondContact O-N 2.97Å; K187-S190 PolarHBondContact O-N 3.47Å; K187-Y191 WeakPolarHBondContact O-CB 3.33Å; K187-Y191 PolarHBondContact O-N 2.85Å
188D97.3Very high96Very high49 Ų4998.9 Ų98.926%0.26250%0.496SS..Hα-helixtrans-58.7-47.4175.5166.765.3000111.6A184 K185 Y191 R192A184-D188 PolarHBondContact O-N 3.46Å; K185-D188 IonicContact NZ-OD2 2.86Å; K185-D188 PolarHBondContact NZ-OD2 3.39Å; K185-D188 PolarHBondContact O-N 2.96Å; D188-Y191 PolarHBondContact O-N 2.87Å; D188-R192 VanDerWaalsContact CG-NE 3.33Å; D188-R192 WeakPolarHBondContact O-CG 3.4Å; D188-R192 PolarHBondContact O-N 3.38Å; D188-R192 IonicContact OD1-CZ 3.88Å; D188-R192 VanDerWaalsContact OD1-CZ 3.32Å; D188-R192 IonicContact OD1-NE 2.8Å; D188-R192 PolarHBondContact OD1-NE 3.42Å; D188-R192 IonicContact OD1-NH2 2.84Å; D188-R192 PolarHBondContact OD1-NH2 3.34Å; D188-R192 IonicContact OD2-CZ 2.93Å; D188-R192 VanDerWaalsContact OD2-CZ 3.25Å; D188-R192 IonicContact OD2-NE 2.94Å; D188-R192 PolarHBondContact OD2-NE 2.9Å; D188-R192 IonicContact OD2-NH2 3.32Å; D188-R192 PolarHBondContact OD2-NH2 3.41Å
189L97.1Very high95.7Very high83 Ų8398.9 Ų98.944%0.43549%0.493SS..Hα-helixtrans-64.4-43.4177.8-70.1176.2000112.2K185 S186 Y191 R192 N193K185-L189 HydrophobicContact CG-CD1 4.36Å; K185-L189 WeakPolarHBondContact O-CG 3.49Å; K185-L189 PolarHBondContact O-N 2.95Å; S186-L189 PolarHBondContact O-N 3.05Å; L189-Y191 VanDerWaalsContact C-N 3.31Å; L189-Y191 PolarHBondContact O-N 3.3Å; L189-R192 PolarHBondContact O-N 2.92Å; L189-N193 WeakPolarHBondContact O-CB 3.29Å; L189-N193 PolarHBondContact O-N 3.33Å
190S97.2Very high95.2Very high77 Ų7798.1 Ų98.154%0.53849%0.49SS..Hα-helixtrans-59.1-42.9175.8176.60000111.7S186 K187 N193 K194S186-S190 WeakPolarHBondContact O-CB 3.47Å; S186-S190 PolarHBondContact O-N 3.29Å; K187-S190 PolarHBondContact O-N 3.47Å; S190-N193 PolarHBondContact O-N 3.3Å; S190-K194 WeakPolarHBondContact O-CB 3.35Å; S190-K194 PolarHBondContact O-N 2.94Å
191Y97.1Very high94.6Very high159 Ų15999.3 Ų99.362%0.62450%0.5SS*.Hα-helixtrans-63.1-44.2175.1176.9-101.8000112.4K187 D188 L189 K194 K195K187-Y191 WeakPolarHBondContact O-CB 3.33Å; K187-Y191 PolarHBondContact O-N 2.85Å; D188-Y191 PolarHBondContact O-N 2.87Å; L189-Y191 VanDerWaalsContact C-N 3.31Å; L189-Y191 PolarHBondContact O-N 3.3Å; Y191-K194 PolarHBondContact O-N 2.97Å; Y191-K195 WeakPolarHBondContact O-CB 3.47Å; Y191-K195 PolarHBondContact O-N 2.94Å
192R96.4Very high94Very high139 Ų13996.7 Ų96.753%0.52550%0.499SS..Hα-helixtrans-63.8-42.4177.3-70.5176.6-162.7-154.82112.4D188 L189 K195 A196D188-R192 VanDerWaalsContact CG-NE 3.33Å; D188-R192 WeakPolarHBondContact O-CG 3.4Å; D188-R192 PolarHBondContact O-N 3.38Å; D188-R192 IonicContact OD1-CZ 3.88Å; D188-R192 VanDerWaalsContact OD1-CZ 3.32Å; D188-R192 IonicContact OD1-NE 2.8Å; D188-R192 PolarHBondContact OD1-NE 3.42Å; D188-R192 IonicContact OD1-NH2 2.84Å; D188-R192 PolarHBondContact OD1-NH2 3.34Å; D188-R192 IonicContact OD2-CZ 2.93Å; D188-R192 VanDerWaalsContact OD2-CZ 3.25Å; D188-R192 IonicContact OD2-NE 2.94Å; D188-R192 PolarHBondContact OD2-NE 2.9Å; D188-R192 IonicContact OD2-NH2 3.32Å; D188-R192 PolarHBondContact OD2-NH2 3.41Å; L189-R192 PolarHBondContact O-N 2.92Å; R192-K195 PolarHBondContact O-N 2.86Å; R192-A196 WeakPolarHBondContact O-CB 3.37Å; R192-A196 PolarHBondContact O-N 3.34Å
193N94.9Very high93.3Very high99 Ų99102 Ų10253%0.52951%0.51SS..Hα-helixtrans-61.5-49.3175.9-82.1-2.1000110.7L189 S190 K195 A196 E197L189-N193 WeakPolarHBondContact O-CB 3.29Å; L189-N193 PolarHBondContact O-N 3.33Å; S190-N193 PolarHBondContact O-N 3.3Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.03Å; N193-A196 CarbonylContact O-C 3.51Å; N193-A196 WeakPolarHBondContact O-CB 3.37Å; N193-A196 PolarHBondContact O-N 2.77Å; N193-E197 WeakPolarHBondContact O-CG 3.42Å; N193-E197 PolarHBondContact O-N 2.87Å
194K96.2Very high92.1Very high127 Ų127103.4 Ų103.455%0.55252%0.518SS*.Hα-helixtrans-56.3-45.4176.5-174.3174.4-178.9175.20111.7S190 Y191 A196 E197 D198S190-K194 WeakPolarHBondContact O-CB 3.35Å; S190-K194 PolarHBondContact O-N 2.94Å; Y191-K194 PolarHBondContact O-N 2.97Å; K194-A196 VanDerWaalsContact C-N 3.33Å; K194-A196 PolarHBondContact O-N 3.03Å; K194-E197 PolarHBondContact O-N 3.19Å; K194-D198 WeakPolarHBondContact O-CB 3.48Å; K194-D198 PolarHBondContact O-N 2.93Å
195K94.9Very high90.7Very high109 Ų109105.8 Ų105.847%0.47452%0.521SS..Hα-helixtrans-60.4-40.8175.5-176.1179.5178.9-178.80112.4Y191 R192 N193 Q199Y191-K195 WeakPolarHBondContact O-CB 3.47Å; Y191-K195 PolarHBondContact O-N 2.94Å; R192-K195 PolarHBondContact O-N 2.86Å; N193-K195 VanDerWaalsContact C-N 3.3Å; N193-K195 PolarHBondContact O-N 3.03Å; K195-Q199 WeakPolarHBondContact O-CB 3.4Å; K195-Q199 VanDerWaalsContact O-CG 3.26Å; K195-Q199 WeakPolarHBondContact O-CG 3.39Å; K195-Q199 PolarHBondContact O-N 3.47Å
196A91.9Very high89.2Confident43 Ų43107.4 Ų107.436%0.35553%0.53SS..Hα-helixtrans-68.8-40.3177.400000111.8R192 N193 K194 Q199 L200R192-A196 WeakPolarHBondContact O-CB 3.37Å; R192-A196 PolarHBondContact O-N 3.34Å; N193-A196 CarbonylContact O-C 3.51Å; N193-A196 WeakPolarHBondContact O-CB 3.37Å; N193-A196 PolarHBondContact O-N 2.77Å; K194-A196 VanDerWaalsContact C-N 3.33Å; K194-A196 PolarHBondContact O-N 3.03Å; A196-Q199 WeakPolarHBondContact O-CB 3.31Å; A196-Q199 PolarHBondContact O-N 3.33Å; A196-L200 WeakPolarHBondContact O-CG 3.37Å; A196-L200 PolarHBondContact O-N 3.18Å
197E89.8Confident87.9Confident113 Ų113110.5 Ų110.553%0.52854%0.54SS..Hα-helixtrans-61.1-45.7173.1-72.8168.8-174.900111.4N193 K194 Q199 L200 T201N193-E197 WeakPolarHBondContact O-CG 3.42Å; N193-E197 PolarHBondContact O-N 2.87Å; K194-E197 PolarHBondContact O-N 3.19Å; E197-Q199 VanDerWaalsContact C-N 3.27Å; E197-Q199 PolarHBondContact O-N 3.21Å; E197-L200 PolarHBondContact O-N 3.37Å; E197-T201 WeakPolarHBondContact O-CB 3.26Å; E197-T201 PolarHBondContact O-N 3.47Å; E197-T201 PolarHBondContact O-OG1 2.91Å
198D91.3Very high86.5Confident92 Ų92113 Ų11349%0.49255%0.546SS..Hα-helixtrans-60.8-37.6174.5-67.2-25.8000111.1K194 S202K194-D198 WeakPolarHBondContact O-CB 3.48Å; K194-D198 PolarHBondContact O-N 2.93Å; D198-S202 WeakPolarHBondContact O-CB 3.47Å; D198-S202 PolarHBondContact O-N 2.86Å; D198-S202 PolarHBondContact O-OG 3.2Å
199Q90.3Very high85.3Confident98 Ų98115.6 Ų115.646%0.45856%0.559SS.*Hα-helixtrans-68.5-39.6175.1-77.4178.4-3.900112.9K195 A196 E197 S202 R203K195-Q199 WeakPolarHBondContact O-CB 3.4Å; K195-Q199 VanDerWaalsContact O-CG 3.26Å; K195-Q199 WeakPolarHBondContact O-CG 3.39Å; K195-Q199 PolarHBondContact O-N 3.47Å; A196-Q199 WeakPolarHBondContact O-CB 3.31Å; A196-Q199 PolarHBondContact O-N 3.33Å; E197-Q199 VanDerWaalsContact C-N 3.27Å; E197-Q199 PolarHBondContact O-N 3.21Å; Q199-S202 WeakPolarHBondContact CA-OG 3.48Å; Q199-S202 PolarHBondContact O-OG 3.01Å; Q199-R203 VanDerWaalsContact O-CG 3.31Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.81Å
200L86.1Confident84.5Confident91 Ų91113.3 Ų113.348%0.47655%0.55SS..Hα-helixtrans-66.4-42.2175.3-72.3171.6000110.9A196 E197 R203 H204 M205A196-L200 WeakPolarHBondContact O-CG 3.37Å; A196-L200 PolarHBondContact O-N 3.18Å; E197-L200 PolarHBondContact O-N 3.37Å; L200-R203 PolarHBondContact O-N 3.03Å; L200-H204 PolarHBondContact O-N 2.92Å; L200-M205 HydrophobicContact CD2-CB 4.45Å; L200-M205 HydrophobicContact CD2-CG 4.17Å; L200-M205 PolarHBondContact O-N 2.92Å
201T84.1Confident83.9Confident102 Ų102116.4 Ų116.463%0.62656%0.555SS**Hα-helixtrans-64.1-45.4178-52.20000111.4E197 R203 H204E197-T201 WeakPolarHBondContact O-CB 3.26Å; E197-T201 PolarHBondContact O-N 3.47Å; E197-T201 PolarHBondContact O-OG1 2.91Å; T201-R203 VanDerWaalsContact C-N 3.26Å; T201-R203 PolarHBondContact O-N 3Å; T201-H204 PolarHBondContact O-N 2.94Å
202S85.6Confident83.3Confident82 Ų82114.4 Ų114.457%0.57355%0.552SS**Hα-helixtrans-66.9-24.717856.30000113.9D198 Q199 H204D198-S202 WeakPolarHBondContact O-CB 3.47Å; D198-S202 PolarHBondContact O-N 2.86Å; D198-S202 PolarHBondContact O-OG 3.2Å; Q199-S202 WeakPolarHBondContact CA-OG 3.48Å; Q199-S202 PolarHBondContact O-OG 3.01Å; S202-H204 PolarHBondContact O-N 2.86Å
203R82.5Confident82.7Confident193 Ų193109 Ų10973%0.72854%0.537SS*.THydrogen-bonded Turntrans-82.94.5172.1-70.7179.5-179.3-156.20.5113.7Q199 L200 T201 M205Q199-R203 VanDerWaalsContact O-CG 3.31Å; Q199-R203 WeakPolarHBondContact O-CG 3.46Å; Q199-R203 PolarHBondContact O-N 2.81Å; L200-R203 PolarHBondContact O-N 3.03Å; T201-R203 VanDerWaalsContact C-N 3.26Å; T201-R203 PolarHBondContact O-N 3Å; R203-M205 HydrophobicContact CB-CG 4.34Å; R203-M205 PolarHBondContact O-N 2.86Å
204H72.3Confident82.2Confident154 Ų154108.1 Ų108.171%0.71353%0.532SS*.THydrogen-bonded Turntrans50.140.2-175.1-60.1-68.8000112.5L200 T201 S202 E206L200-H204 PolarHBondContact O-N 2.92Å; T201-H204 PolarHBondContact O-N 2.94Å; S202-H204 PolarHBondContact O-N 2.86Å; H204-E206 PolarHBondContact O-N 2.84Å
205M67.4Low81.9Confident110 Ų110106.1 Ų106.154%0.54253%0.525SS..  trans-69.687.1171.2-77.4-72.8-114.600108.7L200 R203 I209L200-M205 HydrophobicContact CD2-CB 4.45Å; L200-M205 HydrophobicContact CD2-CG 4.17Å; L200-M205 PolarHBondContact O-N 2.92Å; R203-M205 HydrophobicContact CB-CG 4.34Å; R203-M205 PolarHBondContact O-N 2.86Å; M205-I209 HydrophobicContact SD-CD1 4.31Å
206E66.4Low81.6Confident117 Ų117105 Ų10555%0.54752%0.522SS..  trans-65146.8178.4-66.5177.6-172.200110.9H204 R208 I209H204-E206 PolarHBondContact O-N 2.84Å; E206-R208 HydrophobicContact CB-CB 4.38Å; E206-R208 PolarHBondContact O-N 3.22Å; E206-I209 PolarHBondContact O-N 3.2Å
207N68.9Low81.3Confident138 Ų138107.6 Ų107.674%0.73853%0.529SS*.G310 helixtrans-58.7-12.3179.8-148.320.3000113.4I209 S210 A213N207-I209 VanDerWaalsContact C-N 3.28Å; N207-I209 PolarHBondContact O-N 2.89Å; N207-S210 VanDerWaalsContact O-CB 3.24Å; N207-S210 WeakPolarHBondContact O-CB 3.46Å; N207-S210 PolarHBondContact O-N 3.47Å; N207-S210 PolarHBondContact O-OG 3.23Å; N207-A213 WeakPolarHBondContact O-CB 3.42Å
208R69.7Low81.2Confident197 Ų197106.2 Ų106.274%0.74353%0.531SS*.G310 helixtrans-63.8-27.3171.7-63.8-176.6175.8-140.8-1.9113.6E206 S210 A213E206-R208 HydrophobicContact CB-CB 4.38Å; E206-R208 PolarHBondContact O-N 3.22Å; R208-S210 VanDerWaalsContact C-N 3.34Å; R208-A213 WeakPolarHBondContact O-CB 3.35Å
209I71.6Confident81.2Confident104 Ų104107.8 Ų107.853%0.53354%0.536SS..G310 helixtrans-94.93.3178.5-41.1176.5000110.6M205 E206 N207M205-I209 HydrophobicContact SD-CD1 4.31Å; E206-I209 PolarHBondContact O-N 3.2Å; N207-I209 VanDerWaalsContact C-N 3.28Å; N207-I209 PolarHBondContact O-N 2.89Å
210S80.5Confident81.1Confident35 Ų35108.3 Ų108.325%0.24554%0.538CS..SBendtrans-62.8150.7174.174.40000110.7N207 R208 Q212 A213 L214N207-S210 VanDerWaalsContact O-CB 3.24Å; N207-S210 WeakPolarHBondContact O-CB 3.46Å; N207-S210 PolarHBondContact O-N 3.47Å; N207-S210 PolarHBondContact O-OG 3.23Å; R208-S210 VanDerWaalsContact C-N 3.34Å; S210-Q212 PolarHBondContact O-N 2.81Å; S210-A213 PolarHBondContact O-N 3.47Å; S210-A213 WeakPolarHBondContact OG-CB 3.41Å; S210-A213 PolarHBondContact OG-N 2.96Å; S210-A213 VanDerWaalsContact OG-N 3.14Å; S210-L214 WeakPolarHBondContact O-CG 3.24Å; S210-L214 PolarHBondContact O-N 2.9Å
211H83.6Confident81.3Confident142 Ų142107.1 Ų107.166%0.65753%0.534SS*.Hα-helixtrans-54.8-38.9176.8-179.562.6000111.6L214 M215H211-L214 PolarHBondContact O-N 3.16Å; H211-M215 WeakPolarHBondContact O-CB 3.44Å; H211-M215 VanDerWaalsContact O-CG 3.24Å; H211-M215 WeakPolarHBondContact O-CG 3.33Å; H211-M215 PolarHBondContact O-N 2.88Å
212Q84.3Confident81.6Confident117 Ų117109.2 Ų109.255%0.54753%0.532SS..Hα-helixtrans-62.6-50.2177.6-175.961.129.400112S210 L214 M215 E216S210-Q212 PolarHBondContact O-N 2.81Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.43Å; Q212-M215 PolarHBondContact O-N 3.17Å; Q212-M215 VanDerWaalsContact O-N 3.16Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.42Å; Q212-E216 PolarHBondContact NE2-OE1 3.41Å; Q212-E216 WeakPolarHBondContact O-CG 3.42Å; Q212-E216 PolarHBondContact O-N 3.14Å
213A83.4Confident81.8Confident27 Ų27108.8 Ų108.822%0.22353%0.526CS..Hα-helixtrans-64.2-35.3178.600000112.4N207 R208 S210 L217N207-A213 WeakPolarHBondContact O-CB 3.42Å; R208-A213 WeakPolarHBondContact O-CB 3.35Å; S210-A213 PolarHBondContact O-N 3.47Å; S210-A213 WeakPolarHBondContact OG-CB 3.41Å; S210-A213 PolarHBondContact OG-N 2.96Å; S210-A213 VanDerWaalsContact OG-N 3.14Å; A213-L217 WeakPolarHBondContact O-CB 3.49Å; A213-L217 PolarHBondContact O-N 2.96Å
214L85.8Confident82.1Confident79 Ų79104 Ų10441%0.41451%0.514SS..Hα-helixtrans-67.1-39.4173.6-71.7170.2000112S210 H211 Q212 L217 C218S210-L214 WeakPolarHBondContact O-CG 3.24Å; S210-L214 PolarHBondContact O-N 2.9Å; H211-L214 PolarHBondContact O-N 3.16Å; Q212-L214 VanDerWaalsContact C-N 3.3Å; Q212-L214 PolarHBondContact O-N 3.43Å; L214-L217 PolarHBondContact O-N 3.21Å; L214-C218 WeakPolarHBondContact O-CB 3.35Å; L214-C218 PolarHBondContact O-N 3.49Å; L214-C218 PolarHBondContact O-SG 2.89Å
215M88.8Confident82.7Confident85 Ų85103 Ų10342%0.41951%0.508SS..Hα-helixtrans-65.8-45.7175.7-75.8-69-71.800111.3H211 Q212 L217 C218 E219H211-M215 WeakPolarHBondContact O-CB 3.44Å; H211-M215 VanDerWaalsContact O-CG 3.24Å; H211-M215 WeakPolarHBondContact O-CG 3.33Å; H211-M215 PolarHBondContact O-N 2.88Å; Q212-M215 PolarHBondContact O-N 3.17Å; Q212-M215 VanDerWaalsContact O-N 3.16Å; M215-L217 VanDerWaalsContact C-N 3.33Å; M215-L217 PolarHBondContact O-N 2.96Å; M215-C218 WeakPolarHBondContact O-CB 3.32Å; M215-C218 PolarHBondContact O-N 3.49Å; M215-E219 WeakPolarHBondContact O-CG 3.44Å; M215-E219 PolarHBondContact O-N 3.32Å
216E88.9Confident83.6Confident87 Ų87102.2 Ų102.241%0.40750%0.503SS..Hα-helixtrans-60.5-41.4175.1-73.1169.6-165.100111.8Q212 E219 Q220Q212-E216 WeakPolarHBondContact CG-OE1 3.42Å; Q212-E216 PolarHBondContact NE2-OE1 3.41Å; Q212-E216 WeakPolarHBondContact O-CG 3.42Å; Q212-E216 PolarHBondContact O-N 3.14Å; E216-E219 PolarHBondContact O-N 3.39Å; E216-Q220 WeakPolarHBondContact O-CB 3.27Å; E216-Q220 VanDerWaalsContact O-CG 3.27Å; E216-Q220 WeakPolarHBondContact O-CG 3.34Å; E216-Q220 PolarHBondContact O-N 3.44Å
217L86.8Confident84.5Confident96 Ų96102.2 Ų102.250%0.50350%0.503SS..Hα-helixtrans-65.8-41.8174.8-173.967.2000111.6A213 L214 M215 E219 Q220 V221A213-L217 WeakPolarHBondContact O-CB 3.49Å; A213-L217 PolarHBondContact O-N 2.96Å; L214-L217 PolarHBondContact O-N 3.21Å; M215-L217 VanDerWaalsContact C-N 3.33Å; M215-L217 PolarHBondContact O-N 2.96Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 2.92Å; L217-Q220 PolarHBondContact O-N 2.87Å; L217-V221 WeakPolarHBondContact O-CB 3.27Å; L217-V221 VanDerWaalsContact O-CG2 3.27Å; L217-V221 WeakPolarHBondContact O-CG2 3.45Å; L217-V221 PolarHBondContact O-N 2.91Å
218C87.1Confident85.2Confident84 Ų84100.5 Ų100.557%0.56849%0.492SS*.Hα-helixtrans-60.8-42174.6-81.20000111.7L214 M215 V221 Y222L214-C218 WeakPolarHBondContact O-CB 3.35Å; L214-C218 PolarHBondContact O-N 3.49Å; L214-C218 PolarHBondContact O-SG 2.89Å; M215-C218 WeakPolarHBondContact O-CB 3.32Å; M215-C218 PolarHBondContact O-N 3.49Å; C218-V221 PolarHBondContact O-N 3.03Å; C218-Y222 WeakPolarHBondContact O-CB 3.46Å; C218-Y222 PolarHBondContact O-N 3.34Å
219E90.7Very high85.8Confident126 Ų12695.5 Ų95.559%0.58948%0.48SS*.Hα-helixtrans-63.5-45.9174.5-76.4-176.8173.200111.4M215 E216 L217 V221 Y222 T223M215-E219 WeakPolarHBondContact O-CG 3.44Å; M215-E219 PolarHBondContact O-N 3.32Å; E216-E219 PolarHBondContact O-N 3.39Å; L217-E219 VanDerWaalsContact C-N 3.32Å; L217-E219 PolarHBondContact O-N 2.92Å; E219-V221 VanDerWaalsContact C-N 3.34Å; E219-V221 PolarHBondContact O-N 3.38Å; E219-Y222 WeakPolarHBondContact O-CA 3.42Å; E219-Y222 WeakPolarHBondContact O-CB 3.49Å; E219-Y222 PolarHBondContact O-N 2.85Å; E219-Y222 VanDerWaalsContact O-N 3.1Å; E219-T223 WeakPolarHBondContact O-CG2 3.5Å; E219-T223 PolarHBondContact O-N 2.97Å; E219-T223 PolarHBondContact O-OG1 2.94Å
220Q89.5Confident86.4Confident109 Ų10993.8 Ų93.851%0.50948%0.476SS..Hα-helixtrans-61.1-41.1175.7-73.1172.332.600112.6E216 L217 Y222 T223 L224E216-Q220 WeakPolarHBondContact O-CB 3.27Å; E216-Q220 VanDerWaalsContact O-CG 3.27Å; E216-Q220 WeakPolarHBondContact O-CG 3.34Å; E216-Q220 PolarHBondContact O-N 3.44Å; L217-Q220 PolarHBondContact O-N 2.87Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 3.18Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.47Å; Q220-T223 PolarHBondContact O-N 3.49Å; Q220-T223 PolarHBondContact O-OG1 2.84Å; Q220-L224 VanDerWaalsContact O-CB 3.32Å; Q220-L224 WeakPolarHBondContact O-CB 3.45Å; Q220-L224 WeakPolarHBondContact O-CD1 3.41Å; Q220-L224 WeakPolarHBondContact O-CG 3.42Å; Q220-L224 PolarHBondContact O-N 3.3Å
221V88.5Confident86.3Confident65 Ų6597 Ų9739%0.39449%0.49SS..Hα-helixtrans-65.5-37.3174.9169.50000110.5L217 C218 E219 K225L217-V221 WeakPolarHBondContact O-CB 3.27Å; L217-V221 VanDerWaalsContact O-CG2 3.27Å; L217-V221 WeakPolarHBondContact O-CG2 3.45Å; L217-V221 PolarHBondContact O-N 2.91Å; C218-V221 PolarHBondContact O-N 3.03Å; E219-V221 VanDerWaalsContact C-N 3.34Å; E219-V221 PolarHBondContact O-N 3.38Å; V221-K225 HydrophobicContact CG1-CD 4.36Å; V221-K225 WeakPolarHBondContact O-CB 3.24Å; V221-K225 VanDerWaalsContact O-CG 3.29Å; V221-K225 WeakPolarHBondContact O-CG 3.5Å; V221-K225 PolarHBondContact O-N 3.43Å
222Y91Very high86Confident146 Ų14693 Ų9357%0.57348%0.477SS*.Hα-helixtrans-67.3-45.1177.1-175-93.6000112C218 E219 Q220 K225 Q226C218-Y222 WeakPolarHBondContact O-CB 3.46Å; C218-Y222 PolarHBondContact O-N 3.34Å; E219-Y222 WeakPolarHBondContact O-CA 3.42Å; E219-Y222 WeakPolarHBondContact O-CB 3.49Å; E219-Y222 PolarHBondContact O-N 2.85Å; E219-Y222 VanDerWaalsContact O-N 3.1Å; Q220-Y222 VanDerWaalsContact C-N 3.29Å; Q220-Y222 PolarHBondContact O-N 3.18Å; Y222-K225 WeakPolarHBondContact O-CB 3.24Å; Y222-K225 PolarHBondContact O-N 2.9Å; Y222-Q226 HydrophobicContact CD1-CG 4.17Å; Y222-Q226 HydrophobicContact CE1-CG 3.78Å; Y222-Q226 WeakPolarHBondContact O-CG 3.45Å; Y222-Q226 PolarHBondContact O-N 3.27Å; Y222-Q226 PolarHBondContact OH-NE2 3.29Å
223T89Confident85.8Confident73 Ų7394.9 Ų94.945%0.44848%0.484SS..Hα-helixtrans-64-45.7176.755.70000111.5E219 Q220 K225 Q226 E227E219-T223 WeakPolarHBondContact O-CG2 3.5Å; E219-T223 PolarHBondContact O-N 2.97Å; E219-T223 PolarHBondContact O-OG1 2.94Å; Q220-T223 WeakPolarHBondContact CA-OG1 3.47Å; Q220-T223 PolarHBondContact O-N 3.49Å; Q220-T223 PolarHBondContact O-OG1 2.84Å; T223-K225 VanDerWaalsContact C-N 3.29Å; T223-K225 PolarHBondContact O-N 3.49Å; T223-Q226 CarbonylContact O-C 3.58Å; T223-Q226 WeakPolarHBondContact O-CA 3.41Å; T223-Q226 WeakPolarHBondContact O-CB 3.48Å; T223-Q226 PolarHBondContact O-N 3.33Å; T223-E227 WeakPolarHBondContact O-CG 3.3Å; T223-E227 PolarHBondContact O-N 2.85Å
224L89.1Confident85.5Confident93 Ų93100.8 Ų100.849%0.48750%0.504SS..Hα-helixtrans-57.8-41.4173.7-79.9164.9000111.9Q220 Q226 E227 I228Q220-L224 VanDerWaalsContact O-CB 3.32Å; Q220-L224 WeakPolarHBondContact O-CB 3.45Å; Q220-L224 WeakPolarHBondContact O-CD1 3.41Å; Q220-L224 WeakPolarHBondContact O-CG 3.42Å; Q220-L224 PolarHBondContact O-N 3.3Å; L224-Q226 VanDerWaalsContact C-N 3.35Å; L224-Q226 PolarHBondContact O-N 3.1Å; L224-E227 PolarHBondContact O-N 2.79Å; L224-I228 WeakPolarHBondContact O-CB 3.38Å; L224-I228 VanDerWaalsContact O-CG1 3.24Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 3.33Å
225K85.2Confident85Confident134 Ų134102.5 Ų102.558%0.58351%0.514SS*.Hα-helixtrans-62.5-40.8173.9-81.3-179.8178.1-177.90112.2V221 Y222 T223 E227 I228 L229V221-K225 HydrophobicContact CG1-CD 4.36Å; V221-K225 WeakPolarHBondContact O-CB 3.24Å; V221-K225 VanDerWaalsContact O-CG 3.29Å; V221-K225 WeakPolarHBondContact O-CG 3.5Å; V221-K225 PolarHBondContact O-N 3.43Å; Y222-K225 WeakPolarHBondContact O-CB 3.24Å; Y222-K225 PolarHBondContact O-N 2.9Å; T223-K225 VanDerWaalsContact C-N 3.29Å; T223-K225 PolarHBondContact O-N 3.49Å; K225-E227 VanDerWaalsContact C-N 3.32Å; K225-I228 PolarHBondContact O-N 3.5Å; K225-L229 WeakPolarHBondContact O-CG 3.34Å; K225-L229 PolarHBondContact O-N 3.05Å
226Q86Confident84.3Confident92 Ų92103.3 Ų103.343%0.4352%0.516SS..Hα-helixtrans-65.6-32.7175.7-72.1-69.2-6.600112.5Y222 T223 L224 P230Y222-Q226 HydrophobicContact CD1-CG 4.17Å; Y222-Q226 HydrophobicContact CE1-CG 3.78Å; Y222-Q226 WeakPolarHBondContact O-CG 3.45Å; Y222-Q226 PolarHBondContact O-N 3.27Å; Y222-Q226 PolarHBondContact OH-NE2 3.29Å; T223-Q226 CarbonylContact O-C 3.58Å; T223-Q226 WeakPolarHBondContact O-CA 3.41Å; T223-Q226 WeakPolarHBondContact O-CB 3.48Å; T223-Q226 PolarHBondContact O-N 3.33Å; L224-Q226 VanDerWaalsContact C-N 3.35Å; L224-Q226 PolarHBondContact O-N 3.1Å; Q226-P230 WeakPolarHBondContact O-CD 3.47Å
227E85.8Confident83.5Confident118 Ų118103.4 Ų103.455%0.55152%0.524SS*.Hα-helixtrans-77.8-35.4176.1-70.7178.7-18000113.3T223 L224 K225 L229 P230 L231T223-E227 WeakPolarHBondContact O-CG 3.3Å; T223-E227 PolarHBondContact O-N 2.85Å; L224-E227 PolarHBondContact O-N 2.79Å; K225-E227 VanDerWaalsContact C-N 3.32Å; E227-L229 VanDerWaalsContact C-N 3.34Å; E227-P230 WeakPolarHBondContact O-CD 3.44Å; E227-P230 VanDerWaalsContact O-CG 3.3Å; E227-P230 WeakPolarHBondContact O-CG 2.91Å; E227-L231 WeakPolarHBondContact O-CD1 3.4Å; E227-L231 WeakPolarHBondContact O-CG 3.47Å
228I84.6Confident82.7Confident101 Ų101106.3 Ų106.352%0.51853%0.53SS..Hα-helixtrans-68.2-33.5176.7-71.1166.9000111.3L224 K225 L231 S232L224-I228 WeakPolarHBondContact O-CB 3.38Å; L224-I228 VanDerWaalsContact O-CG1 3.24Å; L224-I228 WeakPolarHBondContact O-CG1 3.29Å; L224-I228 PolarHBondContact O-N 3.33Å; K225-I228 PolarHBondContact O-N 3.5Å; I228-L231 PolarHBondContact O-N 2.91Å; I228-S232 WeakPolarHBondContact O-CB 3.4Å; I228-S232 PolarHBondContact O-N 3.27Å; I228-S232 PolarHBondContact O-OG 3.19Å
229L82.3Confident81.9Confident93 Ų93111.2 Ų111.249%0.48754%0.536SS..Hα-helixtrans-55.4-50.8179.1-89.1162.6000115K225 E227 S232 K233K225-L229 WeakPolarHBondContact O-CG 3.34Å; K225-L229 PolarHBondContact O-N 3.05Å; E227-L229 VanDerWaalsContact C-N 3.34Å; L229-S232 PolarHBondContact O-OG 3.23Å; L229-K233 WeakPolarHBondContact O-CG 3.21Å; L229-K233 PolarHBondContact O-N 3.07Å
230P82.9Confident80.8Confident68 Ų68112 Ų11244%0.44254%0.544SS..Hα-helixtrans-73-31.6175.927.1-34.4000112.5Q226 E227 K233 K234Q226-P230 WeakPolarHBondContact O-CD 3.47Å; E227-P230 WeakPolarHBondContact O-CD 3.44Å; E227-P230 VanDerWaalsContact O-CG 3.3Å; E227-P230 WeakPolarHBondContact O-CG 2.91Å; P230-K233 PolarHBondContact O-N 2.97Å; P230-K234 WeakPolarHBondContact O-CG 3.48Å; P230-K234 PolarHBondContact O-N 3.36Å
231L79.4Confident79.7Confident102 Ų102109.3 Ų109.353%0.53453%0.533SS..Hα-helixtrans-67.2-41.6175.9-73.9169.4000111.8E227 I228 K234 L235E227-L231 WeakPolarHBondContact O-CD1 3.4Å; E227-L231 WeakPolarHBondContact O-CG 3.47Å; I228-L231 PolarHBondContact O-N 2.91Å; L231-K234 PolarHBondContact O-N 3.22Å; L231-L235 PolarHBondContact O-N 3.49Å
232S77.3Confident78.5Confident57 Ų57107.3 Ų107.340%0.39952%0.522SS..Hα-helixtrans-65.2-41.9174.872.20000111.3I228 L229 K234 L235 E236I228-S232 WeakPolarHBondContact O-CB 3.4Å; I228-S232 PolarHBondContact O-N 3.27Å; I228-S232 PolarHBondContact O-OG 3.19Å; L229-S232 PolarHBondContact O-OG 3.23Å; S232-K234 VanDerWaalsContact C-N 3.29Å; S232-K234 PolarHBondContact O-N 2.97Å; S232-L235 CarbonylContact O-C 3.57Å; S232-L235 PolarHBondContact O-N 3.22Å; S232-E236 WeakPolarHBondContact O-CG 3.33Å; S232-E236 PolarHBondContact O-N 2.98Å
233K79.8Confident77.4Confident157 Ų157107 Ų10768%0.68354%0.539SS*.Hα-helixtrans-59.8-35.9171.9-78.8-175.6177.8-177.10113.2L229 P230 P237L229-K233 WeakPolarHBondContact O-CG 3.21Å; L229-K233 PolarHBondContact O-N 3.07Å; P230-K233 PolarHBondContact O-N 2.97Å; K233-P237 WeakPolarHBondContact O-CD 3.44Å
234K77.3Confident76.6Confident151 Ų151106 Ų10666%0.65753%0.534SS*.Hα-helixtrans-72.2-29.6174.3-76.7-179.2-177.9-178.20112.7P230 L231 S232 Y238P230-K234 WeakPolarHBondContact O-CG 3.48Å; P230-K234 PolarHBondContact O-N 3.36Å; L231-K234 PolarHBondContact O-N 3.22Å; S232-K234 VanDerWaalsContact C-N 3.29Å; S232-K234 PolarHBondContact O-N 2.97Å; K234-Y238 WeakPolarHBondContact O-CD2 3.45Å; K234-Y238 VanDerWaalsContact O-CE2 3.24Å; K234-Y238 WeakPolarHBondContact O-CE2 3.38Å
235L75.1Confident75.6Confident116 Ų116106.7 Ų106.761%0.60754%0.544SS*.Hα-helixtrans-84.5-24.3179-121.8106.7000113.5L231 S232 Y238 R239L231-L235 PolarHBondContact O-N 3.49Å; S232-L235 CarbonylContact O-C 3.57Å; S232-L235 PolarHBondContact O-N 3.22Å; L235-Y238 CarbonylContact O-C 3.56Å; L235-Y238 WeakPolarHBondContact O-CA 3.24Å; L235-Y238 WeakPolarHBondContact O-CB 3.13Å; L235-Y238 PolarHBondContact O-N 2.87Å; L235-R239 PolarHBondContact O-N 3.16Å; L235-R239 VanDerWaalsContact O-N 3.14Å
236E74.8Confident74.8Confident102 Ų102104.4 Ų104.448%0.47755%0.545SS..G310 helixtrans-51-45.7179.5-85.9-83.9130.300113.6S232 Y238 R239S232-E236 WeakPolarHBondContact O-CG 3.33Å; S232-E236 PolarHBondContact O-N 2.98Å; E236-Y238 PolarHBondContact O-N 3.02Å; E236-R239 VanDerWaalsContact O-CB 3.3Å; E236-R239 WeakPolarHBondContact O-CB 3.18Å; E236-R239 PolarHBondContact O-N 3.05Å; E236-R239 VanDerWaalsContact O-N 3.16Å; E236-R239 IonicContact OE1-CZ 3.06Å; E236-R239 IonicContact OE1-NH1 3.79Å; E236-R239 PolarHBondContact OE1-NH1 3.14Å
237P72.5Confident73.9Confident89 Ų89104.6 Ų104.658%0.57855%0.549SS*.G310 helixtrans-65-20174.6-20.732.4000114.4K233K233-P237 WeakPolarHBondContact O-CD 3.44Å
238Y69.4Low73Confident157 Ų15799.7 Ų99.762%0.61653%0.528SS*.G310 helixtrans-94.9-4.4179.3-58.9-85.5000113.1K234 L235 E236 D240 L241K234-Y238 WeakPolarHBondContact O-CD2 3.45Å; K234-Y238 VanDerWaalsContact O-CE2 3.24Å; K234-Y238 WeakPolarHBondContact O-CE2 3.38Å; L235-Y238 CarbonylContact O-C 3.56Å; L235-Y238 WeakPolarHBondContact O-CA 3.24Å; L235-Y238 WeakPolarHBondContact O-CB 3.13Å; L235-Y238 PolarHBondContact O-N 2.87Å; E236-Y238 PolarHBondContact O-N 3.02Å; Y238-D240 VanDerWaalsContact C-N 3.26Å; Y238-D240 PolarHBondContact O-N 3.15Å; Y238-L241 HydrophobicContact CD1-CD1 3.72Å; Y238-L241 HydrophobicContact CE1-CD1 4.44Å; Y238-L241 HydrophobicContact CG-CD1 4.48Å; Y238-L241 PolarHBondContact O-N 3.46Å
239R69.2Low72.3Confident186 Ų186101.4 Ų101.470%0.70253%0.534SS*.THydrogen-bonded Turntrans-69.3-26.9-177.1-134.3177.5175-177.2-7.7112.6L235 E236L235-R239 PolarHBondContact O-N 3.16Å; L235-R239 VanDerWaalsContact O-N 3.14Å; E236-R239 VanDerWaalsContact O-CB 3.3Å; E236-R239 WeakPolarHBondContact O-CB 3.18Å; E236-R239 PolarHBondContact O-N 3.05Å; E236-R239 VanDerWaalsContact O-N 3.16Å; E236-R239 IonicContact OE1-CZ 3.06Å; E236-R239 IonicContact OE1-NH1 3.79Å; E236-R239 PolarHBondContact OE1-NH1 3.14Å
240D68.1Low71.8Confident142 Ų142100.7 Ų100.776%0.75953%0.533SS*.THydrogen-bonded Turntrans-89.6-10.3178.2-60.2-31.1000113.3Y238Y238-D240 VanDerWaalsContact C-N 3.26Å; Y238-D240 PolarHBondContact O-N 3.15Å
241L67.6Low71.2Confident53 Ų53102.7 Ų102.728%0.27754%0.535SS..SBendtrans-81.7136.5175.2-77.1157.1000109.9Y238 A248 I252Y238-L241 HydrophobicContact CD1-CD1 3.72Å; Y238-L241 HydrophobicContact CE1-CD1 4.44Å; Y238-L241 HydrophobicContact CG-CD1 4.48Å; Y238-L241 PolarHBondContact O-N 3.46Å; L241-A248 HydrophobicContact CB-CB 4.5Å; L241-A248 HydrophobicContact CD2-CB 3.85Å; L241-I252 HydrophobicContact CD2-CD1 3.9Å; L241-I252 HydrophobicContact CD2-CG1 3.75Å
242S63.3Low70.8Confident23 Ų23101.3 Ų101.316%0.16153%0.528CS..  trans-67.6142.9178.255.60000111.2S244 L247 A248S242-S244 PolarHBondContact O-N 3.27Å; S242-L247 WeakPolarHBondContact OG-CB 3.35Å; S242-A248 PolarHBondContact OG-N 2.88Å; S242-A248 VanDerWaalsContact OG-N 3.14Å
243P66.7Low70.6Confident141 Ų141103 Ų10392%0.91653%0.529SS*.SBendtrans-59.8-16.1-176.2-26.134.2000116.3
244S72.4Confident70.3Confident50 Ų50100.9 Ų100.935%0.3552%0.522SS..SBendtrans-91.3126176.653.30000111.7S242 S246 L247 A248S242-S244 PolarHBondContact O-N 3.27Å; S244-S246 VanDerWaalsContact C-N 3.3Å; S244-S246 PolarHBondContact O-N 3.16Å; S244-L247 PolarHBondContact O-N 3.19Å; S244-L247 VanDerWaalsContact O-N 3.15Å; S244-L247 WeakPolarHBondContact OG-CB 3.3Å; S244-A248 PolarHBondContact O-N 2.84Å
245P69.1Low70.1Confident108 Ų10896.3 Ų96.370%0.70151%0.512SS*.Hα-helixtrans-57.8-38.1-174.4-25.832.9000114.1Q249P245-Q249 PolarHBondContact O-N 3.4Å; P245-Q249 VanDerWaalsContact O-N 3.16Å
246S67.9Low70Confident87 Ų8796.2 Ų96.261%0.60851%0.507SS*.Hα-helixtrans-68.7-35.9-179.731.40000112.9S244 V250S244-S246 VanDerWaalsContact C-N 3.3Å; S244-S246 PolarHBondContact O-N 3.16Å; S246-V250 PolarHBondContact O-N 3.14Å
247L67.8Low70.1Confident96 Ų96100.6 Ų100.650%0.50352%0.519SS..Hα-helixtrans-81.1-31.2-179.9-153.281.5000111.6S242 S244 Q249 V250 K251S242-L247 WeakPolarHBondContact OG-CB 3.35Å; S244-L247 PolarHBondContact O-N 3.19Å; S244-L247 VanDerWaalsContact O-N 3.15Å; S244-L247 WeakPolarHBondContact OG-CB 3.3Å; L247-Q249 VanDerWaalsContact C-N 3.32Å; L247-V250 PolarHBondContact O-N 3.07Å; L247-K251 PolarHBondContact O-N 3.29Å; L247-K251 VanDerWaalsContact O-N 3.14Å
248A66.8Low70.2Confident15 Ų15103 Ų10312%0.12452%0.523CS..Hα-helixtrans-62.3-40170.800000111.7L241 S242 S244 V250 K251 I252L241-A248 HydrophobicContact CB-CB 4.5Å; L241-A248 HydrophobicContact CD2-CB 3.85Å; S242-A248 PolarHBondContact OG-N 2.88Å; S242-A248 VanDerWaalsContact OG-N 3.14Å; S244-A248 PolarHBondContact O-N 2.84Å; A248-V250 VanDerWaalsContact C-N 3.34Å; A248-V250 PolarHBondContact O-N 3.16Å; A248-K251 PolarHBondContact O-N 2.86Å; A248-I252 VanDerWaalsContact O-CG1 3.26Å; A248-I252 WeakPolarHBondContact O-CG1 3.49Å; A248-I252 PolarHBondContact O-N 3.42Å
249Q68.6Low70.4Confident136 Ų136100.8 Ų100.864%0.63652%0.521SS*.Hα-helixtrans-64.7-37.7178.1-141.1162.113.600112.3P245 L247 I252 E253P245-Q249 PolarHBondContact O-N 3.4Å; P245-Q249 VanDerWaalsContact O-N 3.16Å; L247-Q249 VanDerWaalsContact C-N 3.32Å; Q249-I252 PolarHBondContact O-N 2.8Å; Q249-E253 WeakPolarHBondContact O-CG 3.45Å; Q249-E253 PolarHBondContact O-N 3.37Å; Q249-E253 VanDerWaalsContact O-N 3.07Å
250V71.9Confident70.7Confident78 Ų7894.8 Ų94.847%0.47351%0.511SS..Hα-helixtrans-64.5-46.2173.7175.40000111S246 L247 A248 I252 E253 E254S246-V250 PolarHBondContact O-N 3.14Å; L247-V250 PolarHBondContact O-N 3.07Å; A248-V250 VanDerWaalsContact C-N 3.34Å; A248-V250 PolarHBondContact O-N 3.16Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 3.47Å; V250-E253 PolarHBondContact O-N 3.47Å; V250-E253 VanDerWaalsContact O-N 3.16Å; V250-E254 PolarHBondContact O-N 3.14Å
251K69.7Low71.1Confident110 Ų11090.9 Ų90.948%0.47850%0.499SS..Hα-helixtrans-65.3-34177.8-76.6-156.3173.3-169.40113.6L247 A248 A255L247-K251 PolarHBondContact O-N 3.29Å; L247-K251 VanDerWaalsContact O-N 3.14Å; A248-K251 PolarHBondContact O-N 2.86Å; K251-A255 WeakPolarHBondContact O-CB 3.32Å; K251-A255 PolarHBondContact O-N 3.47Å
252I72.5Confident71.6Confident74 Ų7492.5 Ų92.538%0.37951%0.511SS..Hα-helixtrans-64.9-41.9173-69.4165.3000110.3L241 A248 Q249 V250 K256L241-I252 HydrophobicContact CD2-CD1 3.9Å; L241-I252 HydrophobicContact CD2-CG1 3.75Å; A248-I252 VanDerWaalsContact O-CG1 3.26Å; A248-I252 WeakPolarHBondContact O-CG1 3.49Å; A248-I252 PolarHBondContact O-N 3.42Å; Q249-I252 PolarHBondContact O-N 2.8Å; V250-I252 VanDerWaalsContact C-N 3.33Å; V250-I252 PolarHBondContact O-N 3.47Å; I252-K256 HydrophobicContact CG2-CD 4.5Å; I252-K256 WeakPolarHBondContact O-CB 3.34Å; I252-K256 WeakPolarHBondContact O-CG 3.48Å; I252-K256 PolarHBondContact O-N 2.91Å
253E72.1Confident72.1Confident92 Ų9295.4 Ų95.443%0.4352%0.524SS..Hα-helixtrans-71-35.1177.7-74.7-61.3133.100113Q249 V250 K256 R257Q249-E253 WeakPolarHBondContact O-CG 3.45Å; Q249-E253 PolarHBondContact O-N 3.37Å; Q249-E253 VanDerWaalsContact O-N 3.07Å; V250-E253 PolarHBondContact O-N 3.47Å; V250-E253 VanDerWaalsContact O-N 3.16Å; E253-K256 PolarHBondContact O-N 3.36Å; E253-K256 WeakPolarHBondContact OE1-CD 3.47Å; E253-K256 IonicContact OE1-NZ 2.91Å; E253-K256 PolarHBondContact OE1-NZ 2.95Å; E253-R257 WeakPolarHBondContact O-CG 3.26Å; E253-R257 PolarHBondContact O-N 2.93Å
254E73.6Confident72.5Confident113 Ų11391.3 Ų91.353%0.52850%0.502SS..Hα-helixtrans-63.1-48.9170.3-78.6179.3158.600111.4V250 K256 R257 E258V250-E254 PolarHBondContact O-N 3.14Å; E254-K256 VanDerWaalsContact C-N 3.31Å; E254-K256 PolarHBondContact O-N 3Å; E254-R257 WeakPolarHBondContact O-CB 3.31Å; E254-R257 PolarHBondContact O-N 3.45Å; E254-E258 PolarHBondContact O-N 2.89Å
255A72.8Confident72.6Confident55 Ų5594 Ų9446%0.45551%0.509SS..Hα-helixtrans-62.8-35.7177.200000112.5K251 E258 L259K251-A255 WeakPolarHBondContact O-CB 3.32Å; K251-A255 PolarHBondContact O-N 3.47Å; A255-E258 PolarHBondContact O-N 3.4Å; A255-L259 WeakPolarHBondContact O-CB 3.43Å; A255-L259 PolarHBondContact O-N 2.86Å
256K74.5Confident72.9Confident114 Ų11493.9 Ų93.950%0.49650%0.502SS..Hα-helixtrans-64.3-38.7171.7-80.5179.6-172.3170.40112.4I252 E253 E254 A260I252-K256 HydrophobicContact CG2-CD 4.5Å; I252-K256 WeakPolarHBondContact O-CB 3.34Å; I252-K256 WeakPolarHBondContact O-CG 3.48Å; I252-K256 PolarHBondContact O-N 2.91Å; E253-K256 PolarHBondContact O-N 3.36Å; E253-K256 WeakPolarHBondContact OE1-CD 3.47Å; E253-K256 IonicContact OE1-NZ 2.91Å; E253-K256 PolarHBondContact OE1-NZ 2.95Å; E254-K256 VanDerWaalsContact C-N 3.31Å; E254-K256 PolarHBondContact O-N 3Å; K256-A260 VanDerWaalsContact O-CB 3.31Å; K256-A260 WeakPolarHBondContact O-CB 3.39Å; K256-A260 PolarHBondContact O-N 2.95Å
257R74.9Confident73.1Confident194 Ų19496 Ų9673%0.73250%0.503SS*.Hα-helixtrans-67.2-40.6175-79.7-179.3175.9170.9-0111.6E253 E254 A260 A261E253-R257 WeakPolarHBondContact O-CG 3.26Å; E253-R257 PolarHBondContact O-N 2.93Å; E254-R257 WeakPolarHBondContact O-CB 3.31Å; E254-R257 PolarHBondContact O-N 3.45Å; R257-A260 PolarHBondContact O-N 3.06Å; R257-A261 WeakPolarHBondContact O-CB 3.44Å; R257-A261 PolarHBondContact O-N 2.92Å
258E75.4Confident73.1Confident139 Ų13998.5 Ų98.565%0.6551%0.513SS*.Hα-helixtrans-65.2-42.1174.6-71.7-175.817300111.6E254 A255 A261 V262E254-E258 PolarHBondContact O-N 2.89Å; A255-E258 PolarHBondContact O-N 3.4Å; E258-A261 WeakPolarHBondContact O-CB 3.45Å; E258-A261 PolarHBondContact O-N 3.32Å; E258-V262 WeakPolarHBondContact O-CG2 3.45Å; E258-V262 PolarHBondContact O-N 2.8Å
259L74.6Confident73.2Confident110 Ų110103.7 Ų103.758%0.57653%0.533SS*.Hα-helixtrans-62-46.1174.6-166.781.7000111.4A255 A261 V262 D263A255-L259 WeakPolarHBondContact O-CB 3.43Å; A255-L259 PolarHBondContact O-N 2.86Å; L259-A261 PolarHBondContact O-N 3.47Å; L259-V262 PolarHBondContact O-N 3.2Å; L259-V262 VanDerWaalsContact O-N 3.13Å; L259-D263 WeakPolarHBondContact O-CB 3.39Å; L259-D263 PolarHBondContact O-N 2.95Å
260A75.3Confident73Confident61 Ų61100.2 Ų100.250%0.50452%0.521SS..Hα-helixtrans-61.9-32.8176.300000112.4K256 R257 A264K256-A260 VanDerWaalsContact O-CB 3.31Å; K256-A260 WeakPolarHBondContact O-CB 3.39Å; K256-A260 PolarHBondContact O-N 2.95Å; R257-A260 PolarHBondContact O-N 3.06Å; A260-A264 VanDerWaalsContact O-CB 3.25Å; A260-A264 WeakPolarHBondContact O-CB 3.49Å; A260-A264 PolarHBondContact O-N 2.95Å
261A76.8Confident72.5Confident60 Ų60101.4 Ų101.450%0.49653%0.525SS..Hα-helixtrans-69.2-41.3173.500000112.1R257 E258 L259 A264 E265R257-A261 WeakPolarHBondContact O-CB 3.44Å; R257-A261 PolarHBondContact O-N 2.92Å; E258-A261 WeakPolarHBondContact O-CB 3.45Å; E258-A261 PolarHBondContact O-N 3.32Å; L259-A261 PolarHBondContact O-N 3.47Å; A261-A264 PolarHBondContact O-N 3.23Å; A261-E265 PolarHBondContact O-N 3.02Å
262V77.9Confident72Confident87 Ų87103.5 Ų103.553%0.52753%0.534SS..Hα-helixtrans-70.3-40177.4174.90000111.8E258 L259 A264 E265 L266E258-V262 WeakPolarHBondContact O-CG2 3.45Å; E258-V262 PolarHBondContact O-N 2.8Å; L259-V262 PolarHBondContact O-N 3.2Å; L259-V262 VanDerWaalsContact O-N 3.13Å; V262-A264 VanDerWaalsContact C-N 3.34Å; V262-E265 PolarHBondContact O-N 2.83Å; V262-L266 WeakPolarHBondContact O-CB 3.25Å; V262-L266 PolarHBondContact O-N 3.2Å
263D73.3Confident71.4Confident83 Ų83106.1 Ų106.144%0.44455%0.546SS..Hα-helixtrans-63.5-41.5173.8-80.1-23.2000110.6L259 E265 L266 E267L259-D263 WeakPolarHBondContact O-CB 3.39Å; L259-D263 PolarHBondContact O-N 2.95Å; D263-E265 VanDerWaalsContact C-N 3.33Å; D263-E265 PolarHBondContact O-N 2.94Å; D263-L266 WeakPolarHBondContact O-CB 3.32Å; D263-L266 PolarHBondContact O-N 2.81Å; D263-E267 VanDerWaalsContact O-CB 3.32Å; D263-E267 WeakPolarHBondContact O-CB 3.48Å; D263-E267 PolarHBondContact O-N 3.13Å
264A75.6Confident70.8Confident55 Ų55107.8 Ų107.846%0.45556%0.558SS.*Hα-helixtrans-63.5-36.7172.800000112.6A260 A261 V262 E267 M268A260-A264 VanDerWaalsContact O-CB 3.25Å; A260-A264 WeakPolarHBondContact O-CB 3.49Å; A260-A264 PolarHBondContact O-N 2.95Å; A261-A264 PolarHBondContact O-N 3.23Å; V262-A264 VanDerWaalsContact C-N 3.34Å; A264-E267 PolarHBondContact O-N 3.01Å; A264-M268 WeakPolarHBondContact O-CB 3.36Å; A264-M268 PolarHBondContact O-N 3.45Å
265E73.6Confident69.9Low108 Ų108106.9 Ų106.951%0.50556%0.564SS.*Hα-helixtrans-69-35.9174.5-156.6-161.9143.100112A261 V262 D263 K269A261-E265 PolarHBondContact O-N 3.02Å; V262-E265 PolarHBondContact O-N 2.83Å; D263-E265 VanDerWaalsContact C-N 3.33Å; D263-E265 PolarHBondContact O-N 2.94Å; E265-K269 PolarHBondContact O-N 3.5Å; E265-K269 IonicContact OE1-NZ 2.84Å; E265-K269 PolarHBondContact OE1-NZ 2.81Å
266L74.6Confident68.9Low105 Ų105107.8 Ų107.855%0.5557%0.567SS.*Hα-helixtrans-67.2-44.4173.9-168.176.8000110.8V262 D263 M268 K269 V270V262-L266 WeakPolarHBondContact O-CB 3.25Å; V262-L266 PolarHBondContact O-N 3.2Å; D263-L266 WeakPolarHBondContact O-CB 3.32Å; D263-L266 PolarHBondContact O-N 2.81Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 3.12Å; L266-K269 CarbonylContact O-C 3.59Å; L266-K269 PolarHBondContact O-N 3.47Å; L266-K269 VanDerWaalsContact O-N 3.12Å; L266-V270 WeakPolarHBondContact O-CB 3.48Å; L266-V270 VanDerWaalsContact O-CG2 3.28Å; L266-V270 WeakPolarHBondContact O-CG2 3.28Å; L266-V270 PolarHBondContact O-N 2.84Å
267E72.7Confident67.1Low132 Ų132109.8 Ų109.862%0.61758%0.583SS**Hα-helixtrans-64.5-38.3178.2-152.7151.7-150.800110.5D263 A264 K269 V270 D271D263-E267 VanDerWaalsContact O-CB 3.32Å; D263-E267 WeakPolarHBondContact O-CB 3.48Å; D263-E267 PolarHBondContact O-N 3.13Å; A264-E267 PolarHBondContact O-N 3.01Å; E267-K269 PolarHBondContact O-N 2.85Å; E267-V270 PolarHBondContact O-N 3.19Å; E267-D271 WeakPolarHBondContact O-CB 3.37Å; E267-D271 PolarHBondContact O-N 3.22Å
268M68.4Low65.5Low148 Ų148106.5 Ų106.573%0.72959%0.587SS**Hα-helixtrans-65-37.1171.4-157-172.2175.500112.9A264 L266 F272A264-M268 WeakPolarHBondContact O-CB 3.36Å; A264-M268 PolarHBondContact O-N 3.45Å; L266-M268 VanDerWaalsContact C-N 3.31Å; L266-M268 PolarHBondContact O-N 3.12Å; M268-F272 WeakPolarHBondContact O-CB 3.41Å; M268-F272 PolarHBondContact O-N 3.24Å
269K67.9Low64Low123 Ų123109.7 Ų109.754%0.53560%0.598SS.*Hα-helixtrans-72-33.3173.7-86.3172.7179147.20112.9E265 L266 E267 M273E265-K269 PolarHBondContact O-N 3.5Å; E265-K269 IonicContact OE1-NZ 2.84Å; E265-K269 PolarHBondContact OE1-NZ 2.81Å; L266-K269 CarbonylContact O-C 3.59Å; L266-K269 PolarHBondContact O-N 3.47Å; L266-K269 VanDerWaalsContact O-N 3.12Å; E267-K269 PolarHBondContact O-N 2.85Å; K269-M273 PolarHBondContact O-N 3.3Å
270V65.8Low62.4Low63 Ų63108 Ų10838%0.38261%0.607SS.*Hα-helixtrans-72.7-39.3176170.80000110.7L266 E267 M273 N274L266-V270 WeakPolarHBondContact O-CB 3.48Å; L266-V270 VanDerWaalsContact O-CG2 3.28Å; L266-V270 WeakPolarHBondContact O-CG2 3.28Å; L266-V270 PolarHBondContact O-N 2.84Å; E267-V270 PolarHBondContact O-N 3.19Å; V270-M273 HydrophobicContact CG2-CE 4.36Å; V270-M273 PolarHBondContact O-N 3.48Å; V270-N274 PolarHBondContact O-N 3.05Å
271D60.4Low60.9Low104 Ų104116.7 Ų116.756%0.55663%0.627SS**Hα-helixtrans-68.8-34.2174-82.2-17.2000112.6E267 M273 N274 S275E267-D271 WeakPolarHBondContact O-CB 3.37Å; E267-D271 PolarHBondContact O-N 3.22Å; D271-M273 VanDerWaalsContact C-N 3.3Å; D271-M273 PolarHBondContact O-N 3.22Å; D271-N274 PolarHBondContact O-N 3.43Å; D271-S275 PolarHBondContact O-N 2.98Å; D271-S275 PolarHBondContact O-OG 3.17Å
272F59.8Low59.4Low154 Ų154119.3 Ų119.368%0.67564%0.639SS**Hα-helixtrans-65.8-30.3172-161.7-92.7000112.9M268 S276M268-F272 WeakPolarHBondContact O-CB 3.41Å; M268-F272 PolarHBondContact O-N 3.24Å; F272-S276 PolarHBondContact O-OG 3.47Å
273M60.3Low57.8Low129 Ų129122.8 Ų122.864%0.63565%0.653SS**Hα-helixtrans-73.7-29.1172-78.9-169.4-6600112.9K269 V270 D271K269-M273 PolarHBondContact O-N 3.3Å; V270-M273 HydrophobicContact CG2-CE 4.36Å; V270-M273 PolarHBondContact O-N 3.48Å; D271-M273 VanDerWaalsContact C-N 3.3Å; D271-M273 PolarHBondContact O-N 3.22Å
274N58.1Low56Low127 Ų127131.9 Ų131.968%0.67969%0.689SS**Hα-helixtrans-84.9-17.5-178.4-81.1-26.3000114.8V270 D271V270-N274 PolarHBondContact O-N 3.05Å; D271-N274 PolarHBondContact O-N 3.43Å
275S56.1Low55.1Low94 Ų94135.8 Ų135.866%0.65770%0.701SS**THydrogen-bonded Turntrans-88.23.3176.859.30000115.2D271D271-S275 PolarHBondContact O-N 2.98Å; D271-S275 PolarHBondContact O-OG 3.17Å
276S50Low54.1Low74 Ų74137.2 Ų137.252%0.51771%0.711SS.*SBendtrans-118.220.4-165.7-50.40000115.7F272F272-S276 PolarHBondContact O-OG 3.47Å
277L38.4Very low53Low155 Ų155139 Ų13981%0.81272%0.72SS**  trans-131.9114.8172.2-89156.2000111.8
278P41.3Very low51.8Low126 Ų126139.4 Ų139.482%0.81873%0.726SS**PPolyproline II helixtrans-73.4134170.6-10.225.5000111.7
279K42.3Very low50.8Low206 Ų206138.9 Ų138.990%0.89673%0.726SS**PPolyproline II helixtrans-50131.9171.5-70.6171.4175.2173.50111.7
280G42.2Very low49.6Very low73 Ų73139.9 Ų139.975%0.75374%0.739SS**PPolyproline II helixtrans-62.3167.5167.100000113.6
281R43.6Very low48.5Very low244 Ų244145.4 Ų145.492%0.92176%0.764SS**  trans-158.2154.2153-125.9-164.8-71.1-152.21.2107.1
282P45.6Very low47.5Very low115 Ų115148.6 Ų148.675%0.74778%0.78SS**  cis-108-170.2-4935.1-18.8000111.3
283L43.6Very low46.5Very low160 Ų160148.2 Ų148.284%0.83879%0.789SS**  trans-34.6144.7174.8-68.4117.6000119.2
284K36.6Very low45.3Very low275 Ų275149.9 Ų149.9100%1.19680%0.803SS**  -129.90109.4-107.6-175.2-178.8179.90109.3

Retrieved 284 of 284 residues in 1231.9 ms (Link to these results)

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