A0A077YWV0_TRITR Loading...

Cullin 3

AlphaFold DB , UniProt , Accession A0A077YWV0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 741 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M45.5Very low78.6Confident224 Ų22494.5 Ų94.5100%1.10349%0.491SS*.  0113.30-77.8173.4177.100106.5M3M1-M3 PolarHBondContact O-N 3.48Å
2N60.6Low79.9Confident173 Ų17388.2 Ų88.293%0.92546%0.456SS*.PPolyproline II helixtrans-64.3127172.2-81.6-2.5000107.6
3M66.5Low81Confident36 Ų3687.4 Ų87.418%0.17745%0.449CS..PPolyproline II helixtrans-65.3142.8172.8-168.5174-92.600108.2M1 E5 Y7 V8 T41 H45M1-M3 PolarHBondContact O-N 3.48Å; M3-E5 PolarHBondContact O-N 3.3Å; M3-Y7 HydrophobicContact CE-CD1 4.25Å; M3-Y7 HydrophobicContact CE-CE1 4Å; M3-Y7 HydrophobicContact CG-CD1 3.71Å; M3-Y7 HydrophobicContact CG-CE1 4.39Å; M3-Y7 HydrophobicContact SD-CD1 3.56Å; M3-Y7 VanDerWaalsContact SD-CD1 3.56Å; M3-Y7 HydrophobicContact SD-CE1 3.8Å; M3-V8 HydrophobicContact CB-CG2 4.09Å; M3-V8 HydrophobicContact CG-CG2 3.88Å; M3-V8 HydrophobicContact SD-CG2 3.81Å; M3-T41 HydrophobicContact CE-CG2 3.28Å; M3-T41 HydrophobicContact SD-CG2 4.38Å; M3-H45 HydrophobicContact CB-CB 4.26Å; M3-H45 HydrophobicContact CE-CB 3.83Å; M3-H45 WeakPolarHBondContact CE-CD2 3.38Å; M3-H45 HydrophobicContact SD-CB 4.05Å
4D79Confident81.9Confident112 Ų11286.9 Ų86.960%0.59945%0.447SS*.PPolyproline II helixtrans-60.8128.8178.1-170.5-8.3000109.7S6 Y7 V8D4-S6 PolarHBondContact O-N 3.42Å; D4-S6 PolarHBondContact OD1-N 3.18Å; D4-Y7 WeakPolarHBondContact O-CB 3.29Å; D4-Y7 PolarHBondContact O-N 2.97Å; D4-V8 PolarHBondContact O-N 3.34Å; D4-V8 VanDerWaalsContact O-N 3.08Å
5E81.6Confident82.7Confident155 Ų15581.2 Ų81.272%0.72442%0.418SS*.Hα-helixtrans-61.2-30.6-176.2-162.6168.6-159.300111.3M3 V8 Q9M3-E5 PolarHBondContact O-N 3.3Å; E5-V8 PolarHBondContact O-N 3.26Å; E5-Q9 WeakPolarHBondContact O-CB 3.38Å; E5-Q9 PolarHBondContact O-N 3.13Å
6S83.6Confident83.5Confident84 Ų8480.2 Ų80.259%0.58741%0.407SS*.Hα-helixtrans-59.1-44.8170.4159.20000112.4D4 Q9 S10D4-S6 PolarHBondContact O-N 3.42Å; D4-S6 PolarHBondContact OD1-N 3.18Å; S6-Q9 PolarHBondContact O-N 3.28Å; S6-S10 PolarHBondContact O-N 3.28Å; S6-S10 PolarHBondContact O-OG 2.94Å
7Y86.8Confident84.1Confident99 Ų9978.9 Ų78.939%0.38841%0.406SS..Hα-helixtrans-71.1-37.7-179.7179-94.5000111.5M3 D4 Q9 S10 T11 T41M3-Y7 HydrophobicContact CE-CD1 4.25Å; M3-Y7 HydrophobicContact CE-CE1 4Å; M3-Y7 HydrophobicContact CG-CD1 3.71Å; M3-Y7 HydrophobicContact CG-CE1 4.39Å; M3-Y7 HydrophobicContact SD-CD1 3.56Å; M3-Y7 VanDerWaalsContact SD-CD1 3.56Å; M3-Y7 HydrophobicContact SD-CE1 3.8Å; D4-Y7 WeakPolarHBondContact O-CB 3.29Å; D4-Y7 PolarHBondContact O-N 2.97Å; Y7-Q9 VanDerWaalsContact C-N 3.31Å; Y7-Q9 PolarHBondContact O-N 3.19Å; Y7-S10 WeakPolarHBondContact CA-OG 3.48Å; Y7-S10 PolarHBondContact O-N 2.81Å; Y7-S10 PolarHBondContact O-OG 3.47Å; Y7-T11 VanDerWaalsContact O-CB 3.31Å; Y7-T11 WeakPolarHBondContact O-CB 3.42Å; Y7-T11 PolarHBondContact O-N 2.63Å; Y7-T11 PolarHBondContact O-OG1 3.26Å; Y7-T41 HydrophobicContact CE1-CG2 4.38Å
8V88.1Confident84.6Confident2 Ų274.8 Ų74.81%0.01239%0.386CS..Hα-helixtrans-62.2-42.6174.5178.30000110.4M3 D4 E5 W12 M42 H47 K50M3-V8 HydrophobicContact CB-CG2 4.09Å; M3-V8 HydrophobicContact CG-CG2 3.88Å; M3-V8 HydrophobicContact SD-CG2 3.81Å; D4-V8 PolarHBondContact O-N 3.34Å; D4-V8 VanDerWaalsContact O-N 3.08Å; E5-V8 PolarHBondContact O-N 3.26Å; V8-W12 WeakPolarHBondContact O-CB 3.42Å; V8-W12 PolarHBondContact O-N 2.82Å; V8-M42 HydrophobicContact CG1-CE 4.08Å; V8-H47 HydrophobicContact CG1-CB 4.17Å; V8-K50 HydrophobicContact CG1-CD 4.24Å
9Q89.8Confident85.1Confident83 Ų8371.1 Ų71.139%0.38837%0.367SS..Hα-helixtrans-67.3-43.7178.7-17163.226.300112.3E5 S6 Y7 T11 W12 E13E5-Q9 WeakPolarHBondContact O-CB 3.38Å; E5-Q9 PolarHBondContact O-N 3.13Å; S6-Q9 PolarHBondContact O-N 3.28Å; Y7-Q9 VanDerWaalsContact C-N 3.31Å; Y7-Q9 PolarHBondContact O-N 3.19Å; Q9-T11 VanDerWaalsContact C-N 3.35Å; Q9-W12 PolarHBondContact O-N 3.07Å; Q9-E13 PolarHBondContact O-N 3.11Å
10S91.3Very high85.6Confident66 Ų6670.7 Ų70.746%0.46236%0.363SS..Hα-helixtrans-65.7-38.6177.964.50000112.2S6 Y7 E13 L14S6-S10 PolarHBondContact O-N 3.28Å; S6-S10 PolarHBondContact O-OG 2.94Å; Y7-S10 WeakPolarHBondContact CA-OG 3.48Å; Y7-S10 PolarHBondContact O-N 2.81Å; Y7-S10 PolarHBondContact O-OG 3.47Å; S10-E13 PolarHBondContact O-N 3.44Å; S10-L14 PolarHBondContact O-N 3.34Å
11T92.2Very high85.9Confident6 Ų670.5 Ų70.54%0.03736%0.361CS..Hα-helixtrans-65.8-42.1176.2-53.90000111.3Y7 Q9 L14 L15 N38 M42Y7-T11 VanDerWaalsContact O-CB 3.31Å; Y7-T11 WeakPolarHBondContact O-CB 3.42Å; Y7-T11 PolarHBondContact O-N 2.63Å; Y7-T11 PolarHBondContact O-OG1 3.26Å; Q9-T11 VanDerWaalsContact C-N 3.35Å; T11-L14 PolarHBondContact O-N 3.17Å; T11-L15 HydrophobicContact CG2-CD1 4.48Å; T11-L15 WeakPolarHBondContact O-CG 3.42Å; T11-L15 PolarHBondContact O-N 2.83Å; T11-L15 VanDerWaalsContact O-N 3.07Å; T11-N38 HydrophobicContact CG2-CB 3.67Å; T11-M42 HydrophobicContact CG2-CG 3.91Å; T11-M42 HydrophobicContact CG2-SD 3.99Å
12W94.1Very high88.2Confident18 Ų1859.8 Ų59.87%0.06831%0.309CS..Hα-helixtrans-62.1-45174.2170.5-117.7000111.9V8 Q9 L14 L15 R16 M42 L51 G54 V58V8-W12 WeakPolarHBondContact O-CB 3.42Å; V8-W12 PolarHBondContact O-N 2.82Å; Q9-W12 PolarHBondContact O-N 3.07Å; W12-L14 VanDerWaalsContact C-N 3.29Å; W12-L14 PolarHBondContact O-N 3.27Å; W12-L15 HydrophobicContact CE3-CB 4.31Å; W12-L15 HydrophobicContact CZ3-CB 4.48Å; W12-L15 PolarHBondContact O-N 3.45Å; W12-L15 VanDerWaalsContact O-N 3.12Å; W12-R16 HydrophobicContact CH2-CB 4.39Å; W12-R16 HydrophobicContact CZ2-CB 4.11Å; W12-R16 WeakPolarHBondContact O-CB 3.43Å; W12-R16 PolarHBondContact O-N 3.23Å; W12-M42 HydrophobicContact CB-CE 4.06Å; W12-M42 HydrophobicContact CB-SD 4.35Å; W12-L51 HydrophobicContact CE3-CD1 3.74Å; W12-L51 HydrophobicContact CZ3-CD1 3.7Å; W12-G54 VanDerWaalsContact CH2-CA 3.47Å; W12-G54 WeakPolarHBondContact CH2-O 3.42Å; W12-G54 WeakPolarHBondContact CZ2-O 3.42Å; W12-V58 HydrophobicContact CH2-CG2 4.01Å; W12-V58 HydrophobicContact CZ2-CG2 3.86Å
13E93.7Very high89.6Confident78 Ų7852 Ų5236%0.36427%0.267SS..Hα-helixtrans-63.1-37.6-179.8-160.862.7-153.400111.8Q9 S10 R16 C17Q9-E13 PolarHBondContact O-N 3.11Å; S10-E13 PolarHBondContact O-N 3.44Å; E13-R16 PolarHBondContact O-N 3.08Å; E13-C17 WeakPolarHBondContact O-CB 3.36Å; E13-C17 PolarHBondContact O-N 3.14Å; E13-C17 PolarHBondContact O-SG 2.72Å
14L93.7Very high90.8Very high80 Ų8054.6 Ų54.642%0.41928%0.282SS..Hα-helixtrans-60.5-47.9172.2-17388.7000111.5S10 T11 W12 C17 A18 L35 N38S10-L14 PolarHBondContact O-N 3.34Å; T11-L14 PolarHBondContact O-N 3.17Å; W12-L14 VanDerWaalsContact C-N 3.29Å; W12-L14 PolarHBondContact O-N 3.27Å; L14-C17 PolarHBondContact O-N 3.14Å; L14-A18 WeakPolarHBondContact O-CB 3.08Å; L14-A18 PolarHBondContact O-N 3.22Å; L14-L35 HydrophobicContact CD2-CD2 4.28Å; L14-L35 HydrophobicContact CG-CD2 4.5Å; L14-N38 WeakPolarHBondContact CD2-ND2 3.48Å
15L94.5Very high91.2Very high2 Ų254.8 Ų54.81%0.0128%0.279CS..Hα-helixtrans-64.9-41.1178.3-70.6171.4000111.7T11 W12 A18 I19 L35 N38 A39 M42 L51 I97T11-L15 HydrophobicContact CG2-CD1 4.48Å; T11-L15 WeakPolarHBondContact O-CG 3.42Å; T11-L15 PolarHBondContact O-N 2.83Å; T11-L15 VanDerWaalsContact O-N 3.07Å; W12-L15 HydrophobicContact CE3-CB 4.31Å; W12-L15 HydrophobicContact CZ3-CB 4.48Å; W12-L15 PolarHBondContact O-N 3.45Å; W12-L15 VanDerWaalsContact O-N 3.12Å; L15-A18 PolarHBondContact O-N 2.81Å; L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.28Å; L15-I19 PolarHBondContact O-N 3.48Å; L15-L35 HydrophobicContact CD2-CB 4.21Å; L15-L35 HydrophobicContact CD2-CD2 4.05Å; L15-N38 HydrophobicContact CD2-CB 4.34Å; L15-A39 HydrophobicContact CD1-CB 4.15Å; L15-A39 HydrophobicContact CD2-CB 4.33Å; L15-M42 HydrophobicContact CD1-SD 3.69Å; L15-L51 HydrophobicContact CD1-CD1 3.74Å; L15-I97 HydrophobicContact CD2-CG2 4.39Å
16R94.7Very high91.6Very high65 Ų6552.1 Ų52.125%0.24527%0.27CS..Hα-helixtrans-57-52.3174.7173.2173.9-169.4-178.69.9111.2W12 E13 A18 I19 Q20 V58 E61W12-R16 HydrophobicContact CH2-CB 4.39Å; W12-R16 HydrophobicContact CZ2-CB 4.11Å; W12-R16 WeakPolarHBondContact O-CB 3.43Å; W12-R16 PolarHBondContact O-N 3.23Å; E13-R16 PolarHBondContact O-N 3.08Å; R16-A18 VanDerWaalsContact C-N 3.31Å; R16-A18 PolarHBondContact O-N 3.12Å; R16-I19 PolarHBondContact O-N 3.04Å; R16-Q20 WeakPolarHBondContact O-CG 3.43Å; R16-Q20 PolarHBondContact O-N 3.29Å; R16-V58 HydrophobicContact CB-CG2 4.36Å; R16-V58 HydrophobicContact CG-CG2 3.68Å; R16-E61 IonicContact CZ-OE2 2.82Å; R16-E61 IonicContact NH2-OE1 2.78Å; R16-E61 PolarHBondContact NH2-OE1 3.45Å; R16-E61 IonicContact NH2-OE2 3.26Å; R16-E61 PolarHBondContact NH2-OE2 3.14Å
17C93.5Very high91.6Very high58 Ų5850.4 Ų50.439%0.39225%0.254SS..Hα-helixtrans-58.6-43.6177.4-780000111.6E13 L14 Q20 M21E13-C17 WeakPolarHBondContact O-CB 3.36Å; E13-C17 PolarHBondContact O-N 3.14Å; E13-C17 PolarHBondContact O-SG 2.72Å; L14-C17 PolarHBondContact O-N 3.14Å; C17-Q20 PolarHBondContact O-N 3.37Å; C17-M21 WeakPolarHBondContact O-CG 3.44Å; C17-M21 PolarHBondContact O-N 3.41Å
18A94.2Very high91.6Very high5 Ų551.2 Ų51.24%0.04127%0.274CS..Hα-helixtrans-63.4-43177.900000112.5L14 L15 R16 Q20 M21 I22 L30 L35L14-A18 WeakPolarHBondContact O-CB 3.08Å; L14-A18 PolarHBondContact O-N 3.22Å; L15-A18 PolarHBondContact O-N 2.81Å; R16-A18 VanDerWaalsContact C-N 3.31Å; R16-A18 PolarHBondContact O-N 3.12Å; A18-Q20 VanDerWaalsContact C-N 3.34Å; A18-Q20 PolarHBondContact O-N 2.86Å; A18-M21 PolarHBondContact O-N 3.44Å; A18-I22 VanDerWaalsContact O-CG1 3.32Å; A18-I22 WeakPolarHBondContact O-CG1 3.48Å; A18-I22 PolarHBondContact O-N 3.29Å; A18-L30 HydrophobicContact CB-CD1 4.29Å; A18-L30 HydrophobicContact CB-CD2 3.94Å; A18-L35 HydrophobicContact CB-CD1 3.61Å; A18-L35 HydrophobicContact CB-CD2 3.51Å; A18-L35 HydrophobicContact CB-CG 4.22Å
19I94.5Very high91.4Very high4 Ų456.7 Ų56.72%0.02131%0.307CS..Hα-helixtrans-59.8-45.7175.6-69.9163.1000110.3L15 R16 M21 I22 Q23 L55 V58 I94L15-I19 VanDerWaalsContact O-CG1 3.25Å; L15-I19 WeakPolarHBondContact O-CG1 3.28Å; L15-I19 PolarHBondContact O-N 3.48Å; R16-I19 PolarHBondContact O-N 3.04Å; I19-M21 VanDerWaalsContact C-N 3.33Å; I19-M21 PolarHBondContact O-N 3.3Å; I19-I22 WeakPolarHBondContact O-CB 2.99Å; I19-I22 PolarHBondContact O-N 3.4Å; I19-Q23 HydrophobicContact CG2-CG 4.49Å; I19-Q23 WeakPolarHBondContact O-CG 3.46Å; I19-Q23 PolarHBondContact O-N 3.38Å; I19-L55 HydrophobicContact CD1-CD1 3.93Å; I19-V58 HydrophobicContact CB-CG1 4.26Å; I19-V58 HydrophobicContact CG2-CG1 3.66Å; I19-I94 HydrophobicContact CG1-CG1 4.44Å; I19-I94 HydrophobicContact CG1-CG2 4.49Å; I19-I94 HydrophobicContact CG2-CD1 3.84Å; I19-I94 HydrophobicContact CG2-CG1 4.26Å
20Q93.5Very high91.4Very high63 Ų6354.3 Ų54.329%0.29430%0.297SS..Hα-helixtrans-62.7-38.4176.4-71174.5-22.900112.3R16 C17 A18 Q23 N24 V58R16-Q20 WeakPolarHBondContact O-CG 3.43Å; R16-Q20 PolarHBondContact O-N 3.29Å; C17-Q20 PolarHBondContact O-N 3.37Å; A18-Q20 VanDerWaalsContact C-N 3.34Å; A18-Q20 PolarHBondContact O-N 2.86Å; Q20-Q23 PolarHBondContact O-N 2.83Å; Q20-N24 WeakPolarHBondContact O-CB 3.44Å; Q20-N24 VanDerWaalsContact O-CG 3.28Å; Q20-N24 PolarHBondContact O-N 2.85Å; Q20-N24 PolarHBondContact O-ND2 3.23Å; Q20-V58 HydrophobicContact CG-CG1 3.85Å
21M92.6Very high91.5Very high67 Ų6753.9 Ų53.933%0.3329%0.293SS..Hα-helixtrans-64.7-39.3174.9-73-178.980.600111.8C17 A18 I19 N24 Q25 N26 V29 L30C17-M21 WeakPolarHBondContact O-CG 3.44Å; C17-M21 PolarHBondContact O-N 3.41Å; A18-M21 PolarHBondContact O-N 3.44Å; I19-M21 VanDerWaalsContact C-N 3.33Å; I19-M21 PolarHBondContact O-N 3.3Å; M21-N24 CarbonylContact O-C 3.59Å; M21-N24 PolarHBondContact O-N 2.97Å; M21-Q25 PolarHBondContact O-N 3Å; M21-N26 WeakPolarHBondContact CE-O 3.49Å; M21-N26 CarbonylContact O-C 3.58Å; M21-N26 WeakPolarHBondContact O-CA 3.45Å; M21-N26 PolarHBondContact O-N 2.92Å; M21-V29 HydrophobicContact CE-CG2 3.7Å; M21-L30 HydrophobicContact CB-CD1 4.12Å; M21-L30 HydrophobicContact SD-CD2 3.93Å
22I93.4Very high91.4Very high0 Ų057.2 Ų57.20%031%0.308CS..Hα-helixtrans-63.3-48.8175.3-67.9168.7000110.8A18 I19 N24 Q25 N27 L30 M93 I94 I97A18-I22 VanDerWaalsContact O-CG1 3.32Å; A18-I22 WeakPolarHBondContact O-CG1 3.48Å; A18-I22 PolarHBondContact O-N 3.29Å; I19-I22 WeakPolarHBondContact O-CB 2.99Å; I19-I22 PolarHBondContact O-N 3.4Å; I22-N24 VanDerWaalsContact C-N 3.28Å; I22-N24 PolarHBondContact O-N 3.35Å; I22-Q25 PolarHBondContact O-N 3.46Å; I22-N27 HydrophobicContact CG1-CB 4.05Å; I22-L30 HydrophobicContact CD1-CD1 4.11Å; I22-L30 HydrophobicContact CG1-CD1 3.58Å; I22-M93 HydrophobicContact CD1-CB 4.41Å; I22-M93 HydrophobicContact CG2-CB 3.8Å; I22-M93 HydrophobicContact CG2-CE 3.7Å; I22-M93 HydrophobicContact CG2-SD 4.15Å; I22-I94 HydrophobicContact CD1-CG1 4.43Å; I22-I94 HydrophobicContact CG2-CG1 4.23Å; I22-I97 HydrophobicContact CD1-CD1 3.28Å
23Q91.4Very high91.3Very high8 Ų862.8 Ų62.84%0.03734%0.335CS..Hα-helixtrans-61-36.6179-74.4177.9-4700112.5I19 Q20 Q25 I94I19-Q23 HydrophobicContact CG2-CG 4.49Å; I19-Q23 WeakPolarHBondContact O-CG 3.46Å; I19-Q23 PolarHBondContact O-N 3.38Å; Q20-Q23 PolarHBondContact O-N 2.83Å; Q23-Q25 PolarHBondContact O-N 3.39Å; Q23-I94 HydrophobicContact CG-CD1 4.18Å
24N90.1Very high91.3Very high92 Ų9264.4 Ų64.449%0.49234%0.342SS..THydrogen-bonded Turntrans-83.113.9174.3-66.3-36.7000113.9Q20 M21 I22 N26Q20-N24 WeakPolarHBondContact O-CB 3.44Å; Q20-N24 VanDerWaalsContact O-CG 3.28Å; Q20-N24 PolarHBondContact O-N 2.85Å; Q20-N24 PolarHBondContact O-ND2 3.23Å; M21-N24 CarbonylContact O-C 3.59Å; M21-N24 PolarHBondContact O-N 2.97Å; I22-N24 VanDerWaalsContact C-N 3.28Å; I22-N24 PolarHBondContact O-N 3.35Å; N24-N26 PolarHBondContact O-N 3.38Å; N24-N26 VanDerWaalsContact O-N 3.11Å; N24-N26 PolarHBondContact O-ND2 2.97Å
25Q89.2Confident91.3Very high115 Ų11561 Ų6154%0.53732%0.324SS..THydrogen-bonded Turntrans59.919.2179-54.3-179.3-9.900115M21 I22 Q23 D86M21-Q25 PolarHBondContact O-N 3Å; I22-Q25 PolarHBondContact O-N 3.46Å; Q23-Q25 PolarHBondContact O-N 3.39Å; Q25-D86 PolarHBondContact NE2-OD1 3.18Å; Q25-D86 PolarHBondContact NE2-OD2 2.95Å
26N89.1Confident91.3Very high100 Ų10063.8 Ų63.854%0.53534%0.335SS..  trans-104.446.4-178.4-71.2-35.5000111.8M21 N24M21-N26 WeakPolarHBondContact CE-O 3.49Å; M21-N26 CarbonylContact O-C 3.58Å; M21-N26 WeakPolarHBondContact O-CA 3.45Å; M21-N26 PolarHBondContact O-N 2.92Å; N24-N26 PolarHBondContact O-N 3.38Å; N24-N26 VanDerWaalsContact O-N 3.11Å; N24-N26 PolarHBondContact O-ND2 2.97Å
27N84.5Confident91.3Very high48 Ų4868.3 Ų68.326%0.25735%0.352SS..  trans-90.6-3-170.858.821.1000115.6I22 V29 L30 M93I22-N27 HydrophobicContact CG1-CB 4.05Å; N27-V29 PolarHBondContact O-N 3.41Å; N27-V29 VanDerWaalsContact O-N 3.16Å; N27-L30 HydrophobicContact CB-CD1 4.05Å; N27-L30 WeakPolarHBondContact O-CB 3.31Å; N27-L30 PolarHBondContact O-N 3.2Å; N27-L30 VanDerWaalsContact O-N 3.15Å; N27-M93 WeakPolarHBondContact ND2-CE 3.49Å; N27-M93 PolarHBondContact ND2-SD 2.63Å
28S85.3Confident91.3Very high115 Ų11566.6 Ų66.680%0.80434%0.339SS*.THydrogen-bonded Turntrans-64.1-21.9-17356.50000115
29V85.2Confident91.2Very high117 Ų11766.5 Ų66.571%0.70934%0.338SS*.THydrogen-bonded Turntrans-94.9-2.6-178.8-106.80000113.3M21 N27M21-V29 HydrophobicContact CE-CG2 3.7Å; N27-V29 PolarHBondContact O-N 3.41Å; N27-V29 VanDerWaalsContact O-N 3.16Å
30L89.7Confident91.1Very high34 Ų3470.2 Ų70.218%0.17835%0.353CS..  trans-88.4135.2-174.2-61.7176000112.1A18 M21 I22 N27 F32 L35A18-L30 HydrophobicContact CB-CD1 4.29Å; A18-L30 HydrophobicContact CB-CD2 3.94Å; M21-L30 HydrophobicContact CB-CD1 4.12Å; M21-L30 HydrophobicContact SD-CD2 3.93Å; I22-L30 HydrophobicContact CD1-CD1 4.11Å; I22-L30 HydrophobicContact CG1-CD1 3.58Å; N27-L30 HydrophobicContact CB-CD1 4.05Å; N27-L30 WeakPolarHBondContact O-CB 3.31Å; N27-L30 PolarHBondContact O-N 3.2Å; N27-L30 VanDerWaalsContact O-N 3.15Å; L30-F32 HydrophobicContact CB-CE2 4.5Å; L30-F32 PolarHBondContact O-N 3.04Å; L30-L35 HydrophobicContact CB-CD1 4.07Å; L30-L35 HydrophobicContact CD1-CD1 4.44Å; L30-L35 HydrophobicContact CD2-CD1 4.37Å
31S92.3Very high91Very high56 Ų5668.8 Ų68.839%0.39235%0.348SS..  trans-89.499.4168.1177.80000110.2E33 E34 L35S31-E33 PolarHBondContact O-N 2.66Å; S31-E34 PolarHBondContact O-N 3.01Å; S31-E34 WeakPolarHBondContact OG-CB 3.22Å; S31-E34 PolarHBondContact OG-N 3.49Å; S31-L35 VanDerWaalsContact O-CG 3.3Å; S31-L35 WeakPolarHBondContact O-CG 3.48Å; S31-L35 PolarHBondContact O-N 2.95Å
32F91.3Very high91Very high76 Ų7665.7 Ų65.733%0.33333%0.333SS..Hα-helixtrans-59.9-34.4-179.9-80.2-104.6000112.7L30 Y36 M93 I97L30-F32 HydrophobicContact CB-CE2 4.5Å; L30-F32 PolarHBondContact O-N 3.04Å; F32-Y36 VanDerWaalsContact O-CB 3.27Å; F32-Y36 WeakPolarHBondContact O-CB 3.29Å; F32-Y36 PolarHBondContact O-N 2.87Å; F32-M93 HydrophobicContact CE1-CB 4.08Å; F32-M93 HydrophobicContact CE1-CG 4.4Å; F32-M93 HydrophobicContact CZ-CB 4.4Å; F32-M93 HydrophobicContact CZ-CG 4.43Å; F32-M93 HydrophobicContact CZ-SD 4.24Å; F32-I97 HydrophobicContact CD1-CD1 3.86Å; F32-I97 HydrophobicContact CD1-CG1 3.57Å; F32-I97 HydrophobicContact CE1-CD1 3.82Å; F32-I97 HydrophobicContact CE1-CG1 3.96Å; F32-I97 HydrophobicContact CG-CG1 4.43Å
33E91.9Very high90.9Very high136 Ų13666.3 Ų66.364%0.63634%0.337SS*.Hα-helixtrans-66.6-43.7177.1-170.9-172.3160.900111.5S31 Y36 R37S31-E33 PolarHBondContact O-N 2.66Å; E33-Y36 PolarHBondContact O-N 3.16Å; E33-R37 VanDerWaalsContact O-CG 3.32Å; E33-R37 WeakPolarHBondContact O-CG 3.33Å; E33-R37 PolarHBondContact O-N 2.95Å
34E92.8Very high90.8Very high112 Ų11270 Ų7052%0.52336%0.356SS..Hα-helixtrans-65.2-45.7178.7-174.1178.5174.300111.1S31 Y36 R37 N38S31-E34 PolarHBondContact O-N 3.01Å; S31-E34 WeakPolarHBondContact OG-CB 3.22Å; S31-E34 PolarHBondContact OG-N 3.49Å; E34-Y36 VanDerWaalsContact C-N 3.33Å; E34-Y36 PolarHBondContact O-N 3.33Å; E34-R37 PolarHBondContact O-N 3.28Å; E34-R37 VanDerWaalsContact O-N 3.17Å; E34-N38 PolarHBondContact O-N 3.15Å; E34-N38 PolarHBondContact O-ND2 3.49Å
35L94.2Very high90.8Very high9 Ų969.1 Ų69.15%0.04735%0.349CS..Hα-helixtrans-61-42.6176.4-64.2170.4000111.4L14 L15 A18 L30 S31 R37 N38 A39 I97L14-L35 HydrophobicContact CD2-CD2 4.28Å; L14-L35 HydrophobicContact CG-CD2 4.5Å; L15-L35 HydrophobicContact CD2-CB 4.21Å; L15-L35 HydrophobicContact CD2-CD2 4.05Å; A18-L35 HydrophobicContact CB-CD1 3.61Å; A18-L35 HydrophobicContact CB-CD2 3.51Å; A18-L35 HydrophobicContact CB-CG 4.22Å; L30-L35 HydrophobicContact CB-CD1 4.07Å; L30-L35 HydrophobicContact CD1-CD1 4.44Å; L30-L35 HydrophobicContact CD2-CD1 4.37Å; S31-L35 VanDerWaalsContact O-CG 3.3Å; S31-L35 WeakPolarHBondContact O-CG 3.48Å; S31-L35 PolarHBondContact O-N 2.95Å; L35-R37 PolarHBondContact O-N 3.26Å; L35-N38 PolarHBondContact O-N 3.34Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.47Å; L35-I97 HydrophobicContact CB-CD1 4.46Å; L35-I97 HydrophobicContact CB-CG1 4.38Å; L35-I97 HydrophobicContact CB-CG2 3.71Å; L35-I97 HydrophobicContact CD1-CD1 3.9Å
36Y95.1Very high90.8Very high60 Ų6072.7 Ų72.724%0.23536%0.363CS..Hα-helixtrans-60.5-43.4174.2173.1-93.7000112F32 E33 E34 N38 A39 Y40 I97 M99F32-Y36 VanDerWaalsContact O-CB 3.27Å; F32-Y36 WeakPolarHBondContact O-CB 3.29Å; F32-Y36 PolarHBondContact O-N 2.87Å; E33-Y36 PolarHBondContact O-N 3.16Å; E34-Y36 VanDerWaalsContact C-N 3.33Å; E34-Y36 PolarHBondContact O-N 3.33Å; Y36-N38 VanDerWaalsContact C-N 3.33Å; Y36-N38 PolarHBondContact O-N 3.21Å; Y36-A39 PolarHBondContact O-N 2.98Å; Y36-Y40 WeakPolarHBondContact O-CB 3.5Å; Y36-Y40 PolarHBondContact O-N 3.26Å; Y36-I97 WeakPolarHBondContact CD2-O 3.34Å; Y36-M99 HydrophobicContact CD2-CE 4.41Å; Y36-M99 HydrophobicContact CE2-CB 4.1Å; Y36-M99 HydrophobicContact CE2-CE 3.7Å
37R93.3Very high90.9Very high159 Ų15970.4 Ų70.460%0.635%0.349SS*.Hα-helixtrans-64.7-37.7177.9-71.5177.485.7169.45112.1E33 E34 L35 T41E33-R37 VanDerWaalsContact O-CG 3.32Å; E33-R37 WeakPolarHBondContact O-CG 3.33Å; E33-R37 PolarHBondContact O-N 2.95Å; E34-R37 PolarHBondContact O-N 3.28Å; E34-R37 VanDerWaalsContact O-N 3.17Å; L35-R37 PolarHBondContact O-N 3.26Å; R37-T41 VanDerWaalsContact O-CB 3.3Å; R37-T41 WeakPolarHBondContact O-CB 3.34Å; R37-T41 PolarHBondContact O-N 3.41Å; R37-T41 PolarHBondContact O-OG1 3.42Å
38N93Very high91.2Very high22 Ų2268.2 Ų68.212%0.11834%0.338CS..Hα-helixtrans-65.8-48.1175.3-75-29000111.6T11 L14 L15 E34 L35 Y36 Y40 T41 M42T11-N38 HydrophobicContact CG2-CB 3.67Å; L14-N38 WeakPolarHBondContact CD2-ND2 3.48Å; L15-N38 HydrophobicContact CD2-CB 4.34Å; E34-N38 PolarHBondContact O-N 3.15Å; E34-N38 PolarHBondContact O-ND2 3.49Å; L35-N38 PolarHBondContact O-N 3.34Å; Y36-N38 VanDerWaalsContact C-N 3.33Å; Y36-N38 PolarHBondContact O-N 3.21Å; N38-Y40 PolarHBondContact O-N 3.18Å; N38-T41 PolarHBondContact O-N 3.47Å; N38-M42 PolarHBondContact O-N 3.06Å
39A92.7Very high91.5Very high3 Ų366.4 Ų66.43%0.02532%0.319CS..Hα-helixtrans-61.8-43.7175.300000112.3L15 L35 Y36 T41 M42 V43 L51 L98L15-A39 HydrophobicContact CD1-CB 4.15Å; L15-A39 HydrophobicContact CD2-CB 4.33Å; L35-A39 WeakPolarHBondContact O-CB 3.5Å; L35-A39 PolarHBondContact O-N 3.47Å; Y36-A39 PolarHBondContact O-N 2.98Å; A39-T41 VanDerWaalsContact C-N 3.29Å; A39-T41 PolarHBondContact O-N 2.99Å; A39-M42 PolarHBondContact O-N 3.37Å; A39-V43 WeakPolarHBondContact O-CG2 3.48Å; A39-V43 PolarHBondContact O-N 3.44Å; A39-V43 VanDerWaalsContact O-N 3.1Å; A39-L51 HydrophobicContact CB-CD2 4.26Å; A39-L98 HydrophobicContact CB-CD2 3.59Å
40Y92.9Very high91.8Very high83 Ų8364 Ų6433%0.32530%0.299SS..Hα-helixtrans-54.4-46.4173.3170.2-90.7000111.4Y36 N38 V43 L44 Y100Y36-Y40 WeakPolarHBondContact O-CB 3.5Å; Y36-Y40 PolarHBondContact O-N 3.26Å; N38-Y40 PolarHBondContact O-N 3.18Å; Y40-V43 PolarHBondContact O-N 3.39Å; Y40-L44 HydrophobicContact CE1-CB 4.46Å; Y40-L44 HydrophobicContact CE1-CD2 3.81Å; Y40-L44 VanDerWaalsContact O-CB 3.29Å; Y40-L44 WeakPolarHBondContact O-CB 3.35Å; Y40-L44 PolarHBondContact O-N 3.34Å; Y40-Y100 AromaticContact CD2-CD1 3.54Å; Y40-Y100 HydrophobicContact CD2-CD1 3.54Å; Y40-Y100 AromaticContact CD2-CD2 3.64Å; Y40-Y100 HydrophobicContact CD2-CD2 3.64Å; Y40-Y100 AromaticContact CD2-CE1 3.68Å; Y40-Y100 HydrophobicContact CD2-CE1 3.68Å; Y40-Y100 AromaticContact CD2-CE2 3.78Å; Y40-Y100 HydrophobicContact CD2-CE2 3.78Å; Y40-Y100 AromaticContact CD2-CG 3.52Å; Y40-Y100 HydrophobicContact CD2-CG 3.52Å; Y40-Y100 AromaticContact CD2-CZ 3.79Å; Y40-Y100 HydrophobicContact CE2-CD1 4.12Å; Y40-Y100 AromaticContact CE2-CD2 3.89Å; Y40-Y100 HydrophobicContact CE2-CD2 3.89Å; Y40-Y100 AromaticContact CE2-CE1 3.78Å; Y40-Y100 HydrophobicContact CE2-CE1 3.78Å; Y40-Y100 AromaticContact CE2-CE2 3.54Å; Y40-Y100 HydrophobicContact CE2-CE2 3.54Å; Y40-Y100 HydrophobicContact CE2-CG 4.17Å; Y40-Y100 AromaticContact CE2-CZ 3.46Å; Y40-Y100 VanDerWaalsContact CE2-CZ 3.46Å; Y40-Y100 HydrophobicContact CG-CD1 4.29Å; Y40-Y100 HydrophobicContact CG-CG 4.47Å
41T91.8Very high92Very high33 Ų3362.3 Ų62.320%0.20229%0.29CS..Hα-helixtrans-65.8-42-177.7-610000111.2M3 Y7 R37 N38 A39 V43 L44 H45M3-T41 HydrophobicContact CE-CG2 3.28Å; M3-T41 HydrophobicContact SD-CG2 4.38Å; Y7-T41 HydrophobicContact CE1-CG2 4.38Å; R37-T41 VanDerWaalsContact O-CB 3.3Å; R37-T41 WeakPolarHBondContact O-CB 3.34Å; R37-T41 PolarHBondContact O-N 3.41Å; R37-T41 PolarHBondContact O-OG1 3.42Å; N38-T41 PolarHBondContact O-N 3.47Å; A39-T41 VanDerWaalsContact C-N 3.29Å; A39-T41 PolarHBondContact O-N 2.99Å; T41-V43 PolarHBondContact O-N 3.3Å; T41-L44 PolarHBondContact O-N 2.86Å; T41-H45 PolarHBondContact O-CD2 3.45Å; T41-H45 VanDerWaalsContact O-CD2 3.24Å; T41-H45 PolarHBondContact O-N 3.39Å; T41-H45 VanDerWaalsContact O-N 3.13Å
42M91.3Very high92.2Very high1 Ų160 Ų601%0.00527%0.273CS..Hα-helixtrans-60.4-45.9174.2-73.8-171.768.800112.7V8 T11 W12 L15 N38 A39 H45 H47 L51V8-M42 HydrophobicContact CG1-CE 4.08Å; T11-M42 HydrophobicContact CG2-CG 3.91Å; T11-M42 HydrophobicContact CG2-SD 3.99Å; W12-M42 HydrophobicContact CB-CE 4.06Å; W12-M42 HydrophobicContact CB-SD 4.35Å; L15-M42 HydrophobicContact CD1-SD 3.69Å; N38-M42 PolarHBondContact O-N 3.06Å; A39-M42 PolarHBondContact O-N 3.37Å; M42-H45 PolarHBondContact O-N 3.46Å; M42-H47 HydrophobicContact CE-CB 4.43Å; M42-H47 WeakPolarHBondContact O-CB 3.47Å; M42-H47 PolarHBondContact O-N 3.45Å; M42-L51 HydrophobicContact CB-CD2 4.44Å; M42-L51 HydrophobicContact CE-CB 4.21Å; M42-L51 HydrophobicContact CE-CD1 4.47Å; M42-L51 HydrophobicContact SD-CD1 4.2Å
43V91.2Very high92.3Very high13 Ų1360 Ų608%0.07928%0.277CS..Hα-helixtrans-67.7-43.2179.8176.50000111.1A39 Y40 T41 H45 K46 L51 Y100 M101 V104A39-V43 WeakPolarHBondContact O-CG2 3.48Å; A39-V43 PolarHBondContact O-N 3.44Å; A39-V43 VanDerWaalsContact O-N 3.1Å; Y40-V43 PolarHBondContact O-N 3.39Å; T41-V43 PolarHBondContact O-N 3.3Å; V43-H45 PolarHBondContact O-N 3.02Å; V43-K46 PolarHBondContact O-N 3.39Å; V43-K46 VanDerWaalsContact O-N 3.09Å; V43-L51 HydrophobicContact CG2-CD2 3.83Å; V43-Y100 HydrophobicContact CB-CD1 3.87Å; V43-Y100 HydrophobicContact CB-CE1 4.14Å; V43-Y100 HydrophobicContact CG1-CD1 3.8Å; V43-Y100 HydrophobicContact CG1-CE1 3.84Å; V43-M101 HydrophobicContact CG2-CB 4.06Å; V43-M101 HydrophobicContact CG2-CG 4.23Å; V43-V104 HydrophobicContact CG1-CB 4.24Å; V43-V104 HydrophobicContact CG1-CG1 4.38Å
44L90.5Very high92.5Very high86 Ų8653.8 Ų53.845%0.4525%0.248SC..Hα-helixtrans-57.8-37178.5-176.868.5000112Y40 T41 K46Y40-L44 HydrophobicContact CE1-CB 4.46Å; Y40-L44 HydrophobicContact CE1-CD2 3.81Å; Y40-L44 VanDerWaalsContact O-CB 3.29Å; Y40-L44 WeakPolarHBondContact O-CB 3.35Å; Y40-L44 PolarHBondContact O-N 3.34Å; T41-L44 PolarHBondContact O-N 2.86Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 2.84Å
45H89.5Confident92.6Very high74 Ų7448.4 Ų48.434%0.34322%0.223SC..THydrogen-bonded Turntrans-91.223.1179.9-72.8-93.9000114M3 T41 M42 V43 H47M3-H45 HydrophobicContact CB-CB 4.26Å; M3-H45 HydrophobicContact CE-CB 3.83Å; M3-H45 WeakPolarHBondContact CE-CD2 3.38Å; M3-H45 HydrophobicContact SD-CB 4.05Å; T41-H45 PolarHBondContact O-CD2 3.45Å; T41-H45 VanDerWaalsContact O-CD2 3.24Å; T41-H45 PolarHBondContact O-N 3.39Å; T41-H45 VanDerWaalsContact O-N 3.13Å; M42-H45 PolarHBondContact O-N 3.46Å; V43-H45 PolarHBondContact O-N 3.02Å; H45-H47 VanDerWaalsContact C-N 3.35Å; H45-H47 PolarHBondContact O-CD2 3Å; H45-H47 VanDerWaalsContact O-CD2 3.28Å; H45-H47 PolarHBondContact O-N 3.3Å
46K88.9Confident92.7Very high189 Ų18953 Ų5382%0.82224%0.24SC*.THydrogen-bonded Turntrans64.327.8174.7-56.2-171.4173.5-171.50115.6V43 L44V43-K46 PolarHBondContact O-N 3.39Å; V43-K46 VanDerWaalsContact O-N 3.09Å; L44-K46 VanDerWaalsContact C-N 3.29Å; L44-K46 PolarHBondContact O-N 2.84Å
47H90.9Very high92.6Very high53 Ų5355.9 Ų55.925%0.24526%0.255CS..  trans-10628.7172.3-64.3-70.9000112.6V8 M42 H45 D49 L51V8-H47 HydrophobicContact CG1-CB 4.17Å; M42-H47 HydrophobicContact CE-CB 4.43Å; M42-H47 WeakPolarHBondContact O-CB 3.47Å; M42-H47 PolarHBondContact O-N 3.45Å; H45-H47 VanDerWaalsContact C-N 3.35Å; H45-H47 PolarHBondContact O-CD2 3Å; H45-H47 VanDerWaalsContact O-CD2 3.28Å; H45-H47 PolarHBondContact O-N 3.3Å; H47-D49 VanDerWaalsContact C-N 3.3Å; H47-D49 PolarHBondContact O-N 3.49Å; H47-L51 PolarHBondContact O-N 2.91Å
48G90.4Very high92.7Very high2 Ų248.4 Ų48.42%0.02123%0.228CC..Hα-helixtrans-67.5-27.9-179.900000113.7L51 Y52G48-L51 PolarHBondContact O-N 3.46Å; G48-Y52 VanDerWaalsContact O-CB 3.31Å; G48-Y52 WeakPolarHBondContact O-CB 3.25Å; G48-Y52 PolarHBondContact O-N 2.96Å
49D92.7Very high92.8Very high76 Ų7647.4 Ų47.441%0.40622%0.222SC..Hα-helixtrans-67.4-46.4175.864.6-42.4000112.2H47 L51 Y52 N53 Y105H47-D49 VanDerWaalsContact C-N 3.3Å; H47-D49 PolarHBondContact O-N 3.49Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 3.43Å; D49-Y52 PolarHBondContact O-N 3.22Å; D49-N53 WeakPolarHBondContact O-CB 3.3Å; D49-N53 PolarHBondContact O-N 3.33Å; D49-N53 PolarHBondContact O-ND2 3.27Å; D49-Y105 VanDerWaalsContact CA-OH 3.26Å; D49-Y105 WeakPolarHBondContact CA-OH 3.4Å; D49-Y105 HydrophobicContact CB-CE2 4.13Å; D49-Y105 WeakPolarHBondContact CB-OH 3.42Å; D49-Y105 VanDerWaalsContact N-CE2 3.26Å
50K91.8Very high92.7Very high66 Ų6650.9 Ų50.929%0.28724%0.239SC..Hα-helixtrans-61.5-41175.1-172.9171.6-178.1172.90111V8 G54V8-K50 HydrophobicContact CG1-CD 4.24Å; K50-G54 WeakPolarHBondContact O-CA 3.24Å; K50-G54 PolarHBondContact O-N 3.48Å
51L93.7Very high92.6Very high0 Ų051.8 Ų51.80%025%0.246CC..Hα-helixtrans-66.6-44.9177.4-175.461.1000112.1W12 L15 A39 M42 V43 H47 G48 D49 L55 L98 M101W12-L51 HydrophobicContact CE3-CD1 3.74Å; W12-L51 HydrophobicContact CZ3-CD1 3.7Å; L15-L51 HydrophobicContact CD1-CD1 3.74Å; A39-L51 HydrophobicContact CB-CD2 4.26Å; M42-L51 HydrophobicContact CB-CD2 4.44Å; M42-L51 HydrophobicContact CE-CB 4.21Å; M42-L51 HydrophobicContact CE-CD1 4.47Å; M42-L51 HydrophobicContact SD-CD1 4.2Å; V43-L51 HydrophobicContact CG2-CD2 3.83Å; H47-L51 PolarHBondContact O-N 2.91Å; G48-L51 PolarHBondContact O-N 3.46Å; D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 3.43Å; L51-L55 VanDerWaalsContact O-CB 3.31Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-L55 PolarHBondContact O-N 2.83Å; L51-L98 HydrophobicContact CD1-CD2 4.25Å; L51-L98 HydrophobicContact CD2-CD2 4.11Å; L51-L98 HydrophobicContact CG-CD2 4.41Å; L51-M101 HydrophobicContact CB-SD 4.2Å; L51-M101 HydrophobicContact CD2-SD 3.85Å; L51-M101 HydrophobicContact CG-SD 3.78Å
52Y95.7Very high92.5Very high7 Ų753.6 Ų53.63%0.02725%0.252CS..Hα-helixtrans-68.8-44.9-178.9-170.7-89.2000112.6G48 D49 L55 R56 M101 Y105 V106 V111 E112 L117G48-Y52 VanDerWaalsContact O-CB 3.31Å; G48-Y52 WeakPolarHBondContact O-CB 3.25Å; G48-Y52 PolarHBondContact O-N 2.96Å; D49-Y52 PolarHBondContact O-N 3.22Å; Y52-L55 PolarHBondContact O-N 3.3Å; Y52-R56 PolarHBondContact O-N 3.46Å; Y52-R56 VanDerWaalsContact O-N 3.07Å; Y52-M101 HydrophobicContact CD2-CE 3.77Å; Y52-M101 HydrophobicContact CD2-SD 4.09Å; Y52-Y105 HydrophobicContact CD1-CE1 4.48Å; Y52-Y105 HydrophobicContact CD2-CD1 4.19Å; Y52-Y105 HydrophobicContact CD2-CE1 4.14Å; Y52-Y105 HydrophobicContact CG-CD1 4.32Å; Y52-Y105 AromaticContact CG-CE1 3.85Å; Y52-Y105 HydrophobicContact CG-CE1 3.85Å; Y52-V106 HydrophobicContact CD2-CG2 4.37Å; Y52-V106 HydrophobicContact CE2-CG2 4.07Å; Y52-V111 HydrophobicContact CD2-CG2 4.34Å; Y52-V111 HydrophobicContact CE1-CB 4.36Å; Y52-V111 HydrophobicContact CE1-CG2 4.28Å; Y52-V111 HydrophobicContact CE2-CG2 3.84Å; Y52-E112 VanDerWaalsContact CE2-O 3.26Å; Y52-E112 WeakPolarHBondContact CE2-O 3.41Å; Y52-E112 PolarHBondContact OH-N 3.04Å; Y52-E112 PolarHBondContact OH-O 3.48Å; Y52-L117 HydrophobicContact CE1-CD2 4.03Å; Y52-L117 HydrophobicContact CE2-CD2 4.14Å
53N95Very high92.3Very high77 Ų7754.3 Ų54.341%0.41226%0.256SS..Hα-helixtrans-70.1-39.8177.4-68.7-34.2000111.6D49 L55 R56 E57D49-N53 WeakPolarHBondContact O-CB 3.3Å; D49-N53 PolarHBondContact O-N 3.33Å; D49-N53 PolarHBondContact O-ND2 3.27Å; N53-L55 VanDerWaalsContact C-N 3.34Å; N53-L55 PolarHBondContact O-N 3.49Å; N53-R56 WeakPolarHBondContact O-CB 3.41Å; N53-R56 PolarHBondContact O-N 3.38Å; N53-E57 WeakPolarHBondContact O-CG 3.22Å; N53-E57 PolarHBondContact O-N 2.93Å
54G94.7Very high91.4Very high4 Ų458.6 Ų58.64%0.04128%0.282CS..Hα-helixtrans-61.2-42.8173.500000111.9W12 K50 R56 E57 V58W12-G54 VanDerWaalsContact CH2-CA 3.47Å; W12-G54 WeakPolarHBondContact CH2-O 3.42Å; W12-G54 WeakPolarHBondContact CZ2-O 3.42Å; K50-G54 WeakPolarHBondContact O-CA 3.24Å; K50-G54 PolarHBondContact O-N 3.48Å; G54-R56 VanDerWaalsContact C-N 3.32Å; G54-R56 PolarHBondContact O-N 3.49Å; G54-E57 PolarHBondContact O-N 2.98Å; G54-V58 VanDerWaalsContact O-CG2 3.25Å; G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.31Å
55L95.3Very high90.4Very high0 Ų057 Ų570%027%0.27CS..Hα-helixtrans-57.1-47.2173.2169.468.8000110.9I19 L51 Y52 N53 E57 V58 V59 I94 L98 M101 V114 L117I19-L55 HydrophobicContact CD1-CD1 3.93Å; L51-L55 VanDerWaalsContact O-CB 3.31Å; L51-L55 WeakPolarHBondContact O-CB 3.29Å; L51-L55 PolarHBondContact O-N 2.83Å; Y52-L55 PolarHBondContact O-N 3.3Å; N53-L55 VanDerWaalsContact C-N 3.34Å; N53-L55 PolarHBondContact O-N 3.49Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 2.91Å; L55-V58 PolarHBondContact O-N 2.98Å; L55-V59 HydrophobicContact CD1-CG2 3.78Å; L55-V59 HydrophobicContact CG-CG2 4.34Å; L55-V59 WeakPolarHBondContact O-CB 3.44Å; L55-V59 VanDerWaalsContact O-CG2 3.29Å; L55-V59 WeakPolarHBondContact O-CG2 3.17Å; L55-V59 PolarHBondContact O-N 2.84Å; L55-I94 HydrophobicContact CD1-CG2 3.61Å; L55-L98 HydrophobicContact CD1-CD1 4.08Å; L55-L98 HydrophobicContact CD2-CD1 3.73Å; L55-L98 HydrophobicContact CG-CD1 4.32Å; L55-M101 HydrophobicContact CD2-CE 3.98Å; L55-V114 HydrophobicContact CD2-CB 4.46Å; L55-V114 HydrophobicContact CD2-CG1 3.89Å; L55-V114 HydrophobicContact CD2-CG2 4.11Å; L55-L117 HydrophobicContact CD2-CD2 4.2Å
56R95.6Very high89.6Confident106 Ų10657.3 Ų57.340%0.428%0.277SS..Hα-helixtrans-55.1-50.1177.8177.2-177.5-72.4-152.1-4.4111.1Y52 N53 G54 V59 M60 L117 L121Y52-R56 PolarHBondContact O-N 3.46Å; Y52-R56 VanDerWaalsContact O-N 3.07Å; N53-R56 WeakPolarHBondContact O-CB 3.41Å; N53-R56 PolarHBondContact O-N 3.38Å; G54-R56 VanDerWaalsContact C-N 3.32Å; G54-R56 PolarHBondContact O-N 3.49Å; R56-V59 PolarHBondContact O-N 3.44Å; R56-M60 HydrophobicContact CG-SD 3.95Å; R56-M60 WeakPolarHBondContact O-CB 3.35Å; R56-M60 VanDerWaalsContact O-CG 3.29Å; R56-M60 WeakPolarHBondContact O-CG 3.35Å; R56-M60 PolarHBondContact O-N 3.2Å; R56-L117 HydrophobicContact CB-CD2 4.23Å; R56-L121 HydrophobicContact CG-CD1 4.1Å; R56-L121 HydrophobicContact CG-CD2 4.12Å
57E94.7Very high88.8Confident119 Ų11954.1 Ų54.156%0.55627%0.269SS*.Hα-helixtrans-60.4-47.7180-71.7172.4-176.100111.8N53 G54 L55 V59 M60 E61N53-E57 WeakPolarHBondContact O-CG 3.22Å; N53-E57 PolarHBondContact O-N 2.93Å; G54-E57 PolarHBondContact O-N 2.98Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 2.91Å; E57-V59 VanDerWaalsContact C-N 3.33Å; E57-V59 PolarHBondContact O-N 3.32Å; E57-M60 PolarHBondContact O-N 3.35Å; E57-E61 WeakPolarHBondContact O-CB 3.49Å; E57-E61 WeakPolarHBondContact O-CG 3.32Å; E57-E61 PolarHBondContact O-N 3.36Å
58V94.2Very high88.2Confident3 Ų352.1 Ų52.12%0.01826%0.26CS..Hα-helixtrans-64.2-39-179.81760000111.5W12 R16 I19 Q20 G54 L55 E61 H62W12-V58 HydrophobicContact CH2-CG2 4.01Å; W12-V58 HydrophobicContact CZ2-CG2 3.86Å; R16-V58 HydrophobicContact CB-CG2 4.36Å; R16-V58 HydrophobicContact CG-CG2 3.68Å; I19-V58 HydrophobicContact CB-CG1 4.26Å; I19-V58 HydrophobicContact CG2-CG1 3.66Å; Q20-V58 HydrophobicContact CG-CG1 3.85Å; G54-V58 VanDerWaalsContact O-CG2 3.25Å; G54-V58 WeakPolarHBondContact O-CG2 3.47Å; G54-V58 PolarHBondContact O-N 3.31Å; L55-V58 PolarHBondContact O-N 2.98Å; V58-E61 PolarHBondContact O-N 3.5Å; V58-H62 PolarHBondContact O-N 3.38Å
59V94.5Very high87.7Confident1 Ų154.6 Ų54.61%0.00627%0.273CS..Hα-helixtrans-66.6-44175.3175.20000111L55 R56 E57 E61 H62 L63 M91 L121L55-V59 HydrophobicContact CD1-CG2 3.78Å; L55-V59 HydrophobicContact CG-CG2 4.34Å; L55-V59 WeakPolarHBondContact O-CB 3.44Å; L55-V59 VanDerWaalsContact O-CG2 3.29Å; L55-V59 WeakPolarHBondContact O-CG2 3.17Å; L55-V59 PolarHBondContact O-N 2.84Å; R56-V59 PolarHBondContact O-N 3.44Å; E57-V59 VanDerWaalsContact C-N 3.33Å; E57-V59 PolarHBondContact O-N 3.32Å; V59-E61 PolarHBondContact O-N 3.11Å; V59-H62 PolarHBondContact O-N 2.81Å; V59-L63 HydrophobicContact CG1-CD1 3.97Å; V59-L63 HydrophobicContact CG1-CG 4.39Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.5Å; V59-L63 PolarHBondContact O-N 3.21Å; V59-L63 VanDerWaalsContact O-N 3.15Å; V59-M91 HydrophobicContact CG1-SD 4.45Å; V59-M91 HydrophobicContact CG2-SD 4.07Å; V59-L121 HydrophobicContact CB-CD1 3.83Å; V59-L121 HydrophobicContact CG1-CB 4.32Å; V59-L121 HydrophobicContact CG1-CD1 3.66Å
60M92.2Very high87.2Confident75 Ų7556.9 Ų56.937%0.36929%0.285SS..Hα-helixtrans-60.9-42.3175.5-73.4176.967.900112.5R56 E57 H62 L63 L121 E125R56-M60 HydrophobicContact CG-SD 3.95Å; R56-M60 WeakPolarHBondContact O-CB 3.35Å; R56-M60 VanDerWaalsContact O-CG 3.29Å; R56-M60 WeakPolarHBondContact O-CG 3.35Å; R56-M60 PolarHBondContact O-N 3.2Å; E57-M60 PolarHBondContact O-N 3.35Å; M60-H62 PolarHBondContact O-N 3.31Å; M60-L63 PolarHBondContact O-N 2.91Å; M60-L121 HydrophobicContact CG-CD1 4.23Å; M60-L121 HydrophobicContact CG-CD2 3.72Å; M60-L121 HydrophobicContact CG-CG 4.46Å; M60-L121 HydrophobicContact SD-CD2 4.02Å; M60-E125 HydrophobicContact CE-CG 4.41Å; M60-E125 HydrophobicContact CG-CG 4.43Å
61E89.9Confident86.7Confident102 Ų10254.3 Ų54.348%0.47728%0.276SS..Hα-helixtrans-61-32.3176.4-79.1179.9175.300112.4R16 E57 V58 V59 V64R16-E61 IonicContact CZ-OE2 2.82Å; R16-E61 IonicContact NH2-OE1 2.78Å; R16-E61 PolarHBondContact NH2-OE1 3.45Å; R16-E61 IonicContact NH2-OE2 3.26Å; R16-E61 PolarHBondContact NH2-OE2 3.14Å; E57-E61 WeakPolarHBondContact O-CB 3.49Å; E57-E61 WeakPolarHBondContact O-CG 3.32Å; E57-E61 PolarHBondContact O-N 3.36Å; V58-E61 PolarHBondContact O-N 3.5Å; V59-E61 PolarHBondContact O-N 3.11Å; E61-V64 WeakPolarHBondContact O-CG2 3.31Å
62H89.9Confident86Confident72 Ų7255.9 Ų55.933%0.33328%0.284SS..Hα-helixtrans-81.1-28.1178.6-177.770.7000113.3V58 V59 M60 V64V58-H62 PolarHBondContact O-N 3.38Å; V59-H62 PolarHBondContact O-N 2.81Å; M60-H62 PolarHBondContact O-N 3.31Å; H62-V64 PolarHBondContact O-N 3.47Å
63L87.1Confident85Confident16 Ų1662.2 Ų62.28%0.08432%0.318CS..  trans-72.628.8-179.4-69.1171.9000113.5V59 M60 R65 L121 F122 E125 V126V59-L63 HydrophobicContact CG1-CD1 3.97Å; V59-L63 HydrophobicContact CG1-CG 4.39Å; V59-L63 VanDerWaalsContact O-CG 3.3Å; V59-L63 WeakPolarHBondContact O-CG 3.5Å; V59-L63 PolarHBondContact O-N 3.21Å; V59-L63 VanDerWaalsContact O-N 3.15Å; M60-L63 PolarHBondContact O-N 2.91Å; L63-R65 PolarHBondContact O-N 3.17Å; L63-L121 HydrophobicContact CD1-CB 3.84Å; L63-F122 HydrophobicContact CD2-CD2 3.71Å; L63-F122 HydrophobicContact CD2-CE2 4.32Å; L63-E125 HydrophobicContact CD1-CB 4.41Å; L63-V126 HydrophobicContact CB-CG2 4.18Å; L63-V126 HydrophobicContact CD2-CG2 3.97Å; L63-V126 HydrophobicContact CG-CG2 4.5Å
64V73Confident83.9Confident103 Ų10365.3 Ų65.362%0.62434%0.335SS*.  trans-63.9124.8178.7-161.70000110E61 H62 V66E61-V64 WeakPolarHBondContact O-CG2 3.31Å; H62-V64 PolarHBondContact O-N 3.47Å; V64-V66 VanDerWaalsContact C-N 3.27Å; V64-V66 HydrophobicContact CG1-CG2 3.83Å; V64-V66 PolarHBondContact O-N 3.47Å
65R69Low83.3Confident52 Ų5269.7 Ų69.720%0.19636%0.358CS..  trans-80.46.9-166.1-61.4164-108.6-131.5-6.3114.9L63 D67 V68 L69 E125 Y129L63-R65 PolarHBondContact O-N 3.17Å; R65-D67 PolarHBondContact O-N 3.42Å; R65-V68 PolarHBondContact O-N 3.36Å; R65-V68 VanDerWaalsContact O-N 3.12Å; R65-L69 HydrophobicContact CB-CD1 3.78Å; R65-L69 HydrophobicContact CB-CG 3.89Å; R65-L69 WeakPolarHBondContact O-CB 3.45Å; R65-L69 VanDerWaalsContact O-CG 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.45Å; R65-L69 PolarHBondContact O-N 2.99Å; R65-E125 WeakPolarHBondContact CD-O 3.09Å; R65-E125 WeakPolarHBondContact CG-O 3.31Å; R65-E125 IonicContact CZ-OE2 3.54Å; R65-E125 PolarHBondContact NE-O 2.98Å; R65-E125 PolarHBondContact NH1-O 2.93Å; R65-E125 IonicContact NH1-OE2 3.47Å; R65-E125 PolarHBondContact NH1-OE2 3.36Å; R65-E125 IonicContact NH2-OE2 2.81Å; R65-E125 PolarHBondContact NH2-OE2 3.44Å; R65-Y129 VanDerWaalsContact CD-CG 3.41Å
66V71.5Confident82.9Confident80 Ų8069.8 Ų69.849%0.48536%0.358SS..Hα-helixtrans-55.5-48.8-166.1179.50000112V64 L69 N70V64-V66 VanDerWaalsContact C-N 3.27Å; V64-V66 HydrophobicContact CG1-CG2 3.83Å; V64-V66 PolarHBondContact O-N 3.47Å; V66-L69 PolarHBondContact O-N 3.23Å; V66-N70 WeakPolarHBondContact O-CB 3.27Å; V66-N70 PolarHBondContact O-N 2.92Å; V66-N70 PolarHBondContact O-ND2 2.99Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å
67D73.8Confident82.5Confident123 Ų12365.4 Ų65.466%0.65834%0.343SS*.Hα-helixtrans-68.7-37.8-178.3-63.8-25.6000112.2R65 N70 A71R65-D67 PolarHBondContact O-N 3.42Å; D67-N70 PolarHBondContact O-N 3.45Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 3.26Å
68V78.3Confident82.2Confident10 Ų1065.6 Ų65.66%0.06134%0.343CS..Hα-helixtrans-68.2-40.5177.7-174.90000111R65 A71 L72 L76 V79 L80 A83 I132R65-V68 PolarHBondContact O-N 3.36Å; R65-V68 VanDerWaalsContact O-N 3.12Å; V68-A71 PolarHBondContact O-N 3.08Å; V68-L72 PolarHBondContact O-N 2.94Å; V68-L76 HydrophobicContact CG1-CD1 3.71Å; V68-V79 HydrophobicContact CG2-CG1 4.45Å; V68-L80 HydrophobicContact CG1-CD1 4.1Å; V68-A83 HydrophobicContact CG2-CB 4.48Å; V68-I132 HydrophobicContact CB-CD1 4.34Å; V68-I132 HydrophobicContact CG1-CD1 3.67Å; V68-I132 HydrophobicContact CG1-CG1 4.31Å; V68-I132 HydrophobicContact CG1-CG2 4.48Å
69L79.4Confident82Confident54 Ų5467.7 Ų67.728%0.28336%0.356SS..Hα-helixtrans-67.7-39.4177.1-70172.3000111.9R65 V66 A71 L72 Y129 I132R65-L69 HydrophobicContact CB-CD1 3.78Å; R65-L69 HydrophobicContact CB-CG 3.89Å; R65-L69 WeakPolarHBondContact O-CB 3.45Å; R65-L69 VanDerWaalsContact O-CG 3.29Å; R65-L69 WeakPolarHBondContact O-CG 3.45Å; R65-L69 PolarHBondContact O-N 2.99Å; V66-L69 PolarHBondContact O-N 3.23Å; L69-A71 PolarHBondContact O-N 3.4Å; L69-L72 HydrophobicContact CD2-CD1 3.88Å; L69-L72 WeakPolarHBondContact O-CB 3.41Å; L69-L72 WeakPolarHBondContact O-CD1 3.35Å; L69-L72 WeakPolarHBondContact O-CG 3.47Å; L69-L72 PolarHBondContact O-N 3.44Å; L69-Y129 HydrophobicContact CD1-CE1 3.97Å; L69-Y129 HydrophobicContact CD2-CD1 3.78Å; L69-Y129 HydrophobicContact CD2-CE1 3.58Å; L69-Y129 HydrophobicContact CG-CE1 4.36Å; L69-I132 HydrophobicContact CD2-CD1 4Å; L69-I132 HydrophobicContact CD2-CG1 4.09Å
70N81.5Confident81.8Confident125 Ų12567.7 Ų67.767%0.66836%0.356SS*.Hα-helixtrans-64.1-26.9175-70.6-25.1000112.2V66 D67V66-N70 WeakPolarHBondContact O-CB 3.27Å; V66-N70 PolarHBondContact O-N 2.92Å; V66-N70 PolarHBondContact O-ND2 2.99Å; V66-N70 VanDerWaalsContact O-ND2 3.13Å; D67-N70 PolarHBondContact O-N 3.45Å
71A82.3Confident81.7Confident12 Ų1264.8 Ų64.810%0.09934%0.342CS..THydrogen-bonded Turntrans-86.2-4.6-178.200000114.8D67 V68 L69 N73 N74 D75 L76 V79D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 3.26Å; V68-A71 PolarHBondContact O-N 3.08Å; L69-A71 PolarHBondContact O-N 3.4Å; A71-N73 PolarHBondContact O-N 2.89Å; A71-N74 PolarHBondContact O-N 3.5Å; A71-D75 PolarHBondContact O-N 3.43Å; A71-L76 WeakPolarHBondContact O-CA 3.37Å; A71-L76 PolarHBondContact O-N 2.91Å; A71-V79 HydrophobicContact CB-CB 3.88Å; A71-V79 HydrophobicContact CB-CG1 4.15Å; A71-V79 HydrophobicContact CB-CG2 3.72Å
72L78.9Confident81.7Confident32 Ų3266.4 Ų66.417%0.16835%0.348CS..THydrogen-bonded Turntrans-51-28.7-173.5-81.1167.6000115V68 L69 L76 I132 H135V68-L72 PolarHBondContact O-N 2.94Å; L69-L72 HydrophobicContact CD2-CD1 3.88Å; L69-L72 WeakPolarHBondContact O-CB 3.41Å; L69-L72 WeakPolarHBondContact O-CD1 3.35Å; L69-L72 WeakPolarHBondContact O-CG 3.47Å; L69-L72 PolarHBondContact O-N 3.44Å; L72-L76 HydrophobicContact CD2-CD1 4.09Å; L72-L76 HydrophobicContact CD2-CD2 4.01Å; L72-I132 HydrophobicContact CD2-CG1 4.16Å; L72-H135 HydrophobicContact CD2-CB 3.99Å
73N73.4Confident81.8Confident140 Ų14064.5 Ų64.575%0.74934%0.344SS*.THydrogen-bonded Turntrans-101.7-15.6-172-69.5-41.1000115.9A71A71-N73 PolarHBondContact O-N 2.89Å
74N73.4Confident82.1Confident142 Ų14264.9 Ų64.976%0.75935%0.345SS*.THydrogen-bonded Turntrans-130.6-47-171.3-74.1-24000113.4A71A71-N74 PolarHBondContact O-N 3.5Å
75D81.8Confident83.1Confident97 Ų9765.6 Ų65.652%0.51934%0.341SS..THydrogen-bonded Turntrans-141.629.3-168-60.9-58.6000112.9A71 L77 E78 V79A71-D75 PolarHBondContact O-N 3.43Å; D75-L77 VanDerWaalsContact C-N 3.25Å; D75-L77 PolarHBondContact O-N 3.07Å; D75-L77 VanDerWaalsContact O-N 3.14Å; D75-E78 PolarHBondContact O-N 2.93Å; D75-E78 VanDerWaalsContact O-N 3.14Å; D75-V79 PolarHBondContact O-N 3.45Å; D75-V79 VanDerWaalsContact O-N 3.14Å
76L86.8Confident84.3Confident2 Ų265.2 Ų65.21%0.0134%0.343CS..Hα-helixtrans-47.9-48.3-174.7176.963.5000112.1V68 A71 L72 E78 V79 L80 H135V68-L76 HydrophobicContact CG1-CD1 3.71Å; A71-L76 WeakPolarHBondContact O-CA 3.37Å; A71-L76 PolarHBondContact O-N 2.91Å; L72-L76 HydrophobicContact CD2-CD1 4.09Å; L72-L76 HydrophobicContact CD2-CD2 4.01Å; L76-E78 PolarHBondContact O-N 2.95Å; L76-V79 PolarHBondContact O-N 2.99Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 PolarHBondContact O-N 3.12Å; L76-H135 HydrophobicContact CD2-CB 3.52Å
77L87.3Confident85.4Confident14 Ų1461.8 Ų61.87%0.07332%0.322CS..Hα-helixtrans-66.6-36.7-173.5-164.867.5000113.2D75 N81 L136 L140 M143 N157 A161D75-L77 VanDerWaalsContact C-N 3.25Å; D75-L77 PolarHBondContact O-N 3.07Å; D75-L77 VanDerWaalsContact O-N 3.14Å; L77-N81 VanDerWaalsContact O-CB 3.27Å; L77-N81 WeakPolarHBondContact O-CB 3.47Å; L77-N81 PolarHBondContact O-N 2.97Å; L77-N81 PolarHBondContact O-ND2 2.71Å; L77-L136 HydrophobicContact CD1-CD1 3.42Å; L77-L136 VanDerWaalsContact CD1-CD1 3.42Å; L77-L140 HydrophobicContact CD1-CD2 3.8Å; L77-L140 HydrophobicContact CD2-CD2 4Å; L77-M143 HydrophobicContact CD2-CE 4.14Å; L77-M143 HydrophobicContact CD2-SD 3.33Å; L77-M143 WeakPolarHBondContact CD2-SD 3.43Å; L77-N157 HydrophobicContact CD2-CB 3.59Å; L77-N157 HydrophobicContact CG-CB 4.14Å; L77-A161 HydrophobicContact CD1-CB 3.78Å
78E87.7Confident86.4Confident122 Ų12256.8 Ų56.857%0.5730%0.295SS*.Hα-helixtrans-73.2-45.3179.7-172.2166.6174.300110.8D75 L76 L80 N81 K82D75-E78 PolarHBondContact O-N 2.93Å; D75-E78 VanDerWaalsContact O-N 3.14Å; L76-E78 PolarHBondContact O-N 2.95Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.5Å; E78-N81 PolarHBondContact O-N 2.95Å; E78-K82 PolarHBondContact O-N 3.34Å
79V90Very high87.2Confident48 Ų4859.2 Ų59.229%0.29131%0.31SS..Hα-helixtrans-61.8-42.8175.5176.60000110.8V68 A71 D75 L76 K82 A83V68-V79 HydrophobicContact CG2-CG1 4.45Å; A71-V79 HydrophobicContact CB-CB 3.88Å; A71-V79 HydrophobicContact CB-CG1 4.15Å; A71-V79 HydrophobicContact CB-CG2 3.72Å; D75-V79 PolarHBondContact O-N 3.45Å; D75-V79 VanDerWaalsContact O-N 3.14Å; L76-V79 PolarHBondContact O-N 2.99Å; V79-K82 PolarHBondContact O-N 3.48Å; V79-A83 WeakPolarHBondContact O-CB 3.42Å; V79-A83 PolarHBondContact O-N 3.35Å
80L91.1Very high87.9Confident0 Ų056.9 Ų56.90%030%0.298CS..Hα-helixtrans-67.7-42.8179.6-174.265.1000112.3V68 L76 E78 K82 A83 W84 F122 V126 I127 L136 M164V68-L80 HydrophobicContact CG1-CD1 4.1Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 PolarHBondContact O-N 3.12Å; E78-L80 VanDerWaalsContact C-N 3.32Å; E78-L80 PolarHBondContact O-N 3.5Å; L80-K82 VanDerWaalsContact C-N 3.28Å; L80-K82 PolarHBondContact O-N 3.18Å; L80-A83 PolarHBondContact O-N 2.85Å; L80-W84 WeakPolarHBondContact O-CB 3.49Å; L80-W84 PolarHBondContact O-N 3.43Å; L80-F122 HydrophobicContact CD1-CE1 4.46Å; L80-F122 HydrophobicContact CD1-CZ 4.23Å; L80-V126 HydrophobicContact CD1-CG1 3.87Å; L80-I127 HydrophobicContact CD1-CD1 3.78Å; L80-I127 HydrophobicContact CD2-CD1 3.68Å; L80-I127 HydrophobicContact CG-CD1 4.11Å; L80-L136 HydrophobicContact CD2-CD1 3.94Å; L80-L136 HydrophobicContact CD2-CD2 3.95Å; L80-L136 HydrophobicContact CD2-CG 4.43Å; L80-M164 HydrophobicContact CD2-CE 3.9Å; L80-M164 HydrophobicContact CG-CE 4.21Å; L80-M164 HydrophobicContact CG-SD 4.44Å
81N90.6Very high88.6Confident14 Ų1451 Ų518%0.07527%0.267CS..Hα-helixtrans-62.1-37.8175.5-80.7-27000111.7L77 E78 H85 N157 T160L77-N81 VanDerWaalsContact O-CB 3.27Å; L77-N81 WeakPolarHBondContact O-CB 3.47Å; L77-N81 PolarHBondContact O-N 2.97Å; L77-N81 PolarHBondContact O-ND2 2.71Å; E78-N81 PolarHBondContact O-N 2.95Å; N81-H85 WeakPolarHBondContact O-CB 3.41Å; N81-H85 PolarHBondContact O-N 3.01Å; N81-N157 PolarHBondContact ND2-O 3.04Å; N81-T160 HydrophobicContact CB-CG2 4.22Å; N81-T160 WeakPolarHBondContact OD1-CG2 3.45Å
82K90.1Very high89.3Confident137 Ų13752.8 Ų52.860%0.59628%0.277SS*.Hα-helixtrans-65.4-50.8174.1-176-179175.9-173.10111.3E78 V79 L80 W84 H85 D86E78-K82 PolarHBondContact O-N 3.34Å; V79-K82 PolarHBondContact O-N 3.48Å; L80-K82 VanDerWaalsContact C-N 3.28Å; L80-K82 PolarHBondContact O-N 3.18Å; K82-W84 PolarHBondContact O-N 3.14Å; K82-H85 WeakPolarHBondContact O-CB 3.48Å; K82-H85 PolarHBondContact O-N 2.82Å; K82-D86 PolarHBondContact O-N 3.34Å
83A91.6Very high90Very high32 Ų3253 Ų5326%0.26428%0.277SS..Hα-helixtrans-57.1-4017800000112V68 V79 L80 H87V68-A83 HydrophobicContact CG2-CB 4.48Å; V79-A83 WeakPolarHBondContact O-CB 3.42Å; V79-A83 PolarHBondContact O-N 3.35Å; L80-A83 PolarHBondContact O-N 2.85Å; A83-H87 VanDerWaalsContact O-CB 3.23Å; A83-H87 WeakPolarHBondContact O-CB 3.49Å; A83-H87 PolarHBondContact O-N 3.07Å
84W93.7Very high91.1Very high24 Ų2446.4 Ų46.49%0.09124%0.242CC..Hα-helixtrans-63.5-44173.6168.6-113.9000113L80 K82 H87 T88 L119 F122 M164 A167 L168L80-W84 WeakPolarHBondContact O-CB 3.49Å; L80-W84 PolarHBondContact O-N 3.43Å; K82-W84 PolarHBondContact O-N 3.14Å; W84-H87 PolarHBondContact O-N 2.9Å; W84-T88 HydrophobicContact CD2-CG2 3.7Å; W84-T88 VanDerWaalsContact CE2-CG2 3.48Å; W84-T88 HydrophobicContact CE3-CG2 3.73Å; W84-T88 HydrophobicContact CH2-CG2 3.48Å; W84-T88 VanDerWaalsContact CH2-CG2 3.48Å; W84-T88 HydrophobicContact CZ2-CG2 3.39Å; W84-T88 HydrophobicContact CZ3-CG2 3.62Å; W84-T88 WeakPolarHBondContact O-CB 3.31Å; W84-T88 WeakPolarHBondContact O-CG2 3.41Å; W84-T88 PolarHBondContact O-N 3.17Å; W84-T88 PolarHBondContact O-OG1 3.3Å; W84-L119 HydrophobicContact CH2-CD2 3.56Å; W84-L119 HydrophobicContact CZ3-CD2 3.85Å; W84-F122 HydrophobicContact CB-CE1 4.28Å; W84-F122 HydrophobicContact CB-CZ 3.92Å; W84-F122 AromaticContact CE3-CD1 3.74Å; W84-F122 HydrophobicContact CE3-CD1 3.74Å; W84-F122 HydrophobicContact CE3-CD2 4.42Å; W84-F122 AromaticContact CE3-CE1 3.77Å; W84-F122 HydrophobicContact CE3-CE1 3.77Å; W84-F122 HydrophobicContact CE3-CE2 4.46Å; W84-F122 HydrophobicContact CE3-CG 4.07Å; W84-F122 HydrophobicContact CE3-CZ 4.15Å; W84-F122 HydrophobicContact CZ3-CD1 4.07Å; W84-F122 HydrophobicContact CZ3-CG 4.28Å; W84-M164 HydrophobicContact CB-CG 4.44Å; W84-M164 HydrophobicContact CB-SD 3.68Å; W84-M164 HydrophobicContact CD2-CB 4.1Å; W84-M164 HydrophobicContact CD2-CG 3.53Å; W84-M164 HydrophobicContact CD2-SD 3.94Å; W84-M164 HydrophobicContact CE3-CG 3.9Å; W84-M164 HydrophobicContact CE3-SD 4.28Å; W84-M164 HydrophobicContact CG-CB 4.13Å; W84-M164 HydrophobicContact CG-CG 3.78Å; W84-M164 HydrophobicContact CG-SD 3.67Å; W84-M164 HydrophobicContact CH2-CG 4.42Å; W84-M164 HydrophobicContact CZ2-CB 4.28Å; W84-M164 HydrophobicContact CZ2-CG 4.14Å; W84-M164 HydrophobicContact CZ3-CG 4.34Å; W84-A167 HydrophobicContact CH2-CB 3.93Å; W84-A167 HydrophobicContact CZ2-CB 3.81Å; W84-L168 HydrophobicContact CE3-CD2 4.5Å; W84-L168 HydrophobicContact CH2-CD2 4.05Å; W84-L168 HydrophobicContact CH2-CG 4.39Å; W84-L168 HydrophobicContact CZ3-CD2 3.64Å; W84-L168 HydrophobicContact CZ3-CG 4.31Å
85H93.8Very high92.1Very high117 Ų11743.8 Ų43.854%0.54222%0.221SC..Hα-helixtrans-64-44.4178.1-173.665000111.8N81 K82 T88 T89N81-H85 WeakPolarHBondContact O-CB 3.41Å; N81-H85 PolarHBondContact O-N 3.01Å; K82-H85 WeakPolarHBondContact O-CB 3.48Å; K82-H85 PolarHBondContact O-N 2.82Å; H85-T88 PolarHBondContact O-OG1 2.79Å; H85-T88 VanDerWaalsContact O-OG1 3.07Å; H85-T89 VanDerWaalsContact O-CB 3.3Å; H85-T89 WeakPolarHBondContact O-CB 3.26Å; H85-T89 PolarHBondContact O-N 2.88Å; H85-T89 PolarHBondContact O-OG1 3.28Å
86D92.7Very high92.7Very high45 Ų4542.4 Ų42.424%0.24121%0.214CC..Hα-helixtrans-63.9-42.7178.1-66.3-18.5000110.7Q25 K82 S90Q25-D86 PolarHBondContact NE2-OD1 3.18Å; Q25-D86 PolarHBondContact NE2-OD2 2.95Å; K82-D86 PolarHBondContact O-N 3.34Å; D86-S90 WeakPolarHBondContact O-CB 3.42Å; D86-S90 PolarHBondContact O-N 3.12Å; D86-S90 PolarHBondContact O-OG 3.07Å
87H94.8Very high93Very high8 Ų842.6 Ų42.64%0.03722%0.215CC..Hα-helixtrans-64.3-49.8177.1-178.864.8000112.5A83 W84 T89 S90 M91 G118 F122A83-H87 VanDerWaalsContact O-CB 3.23Å; A83-H87 WeakPolarHBondContact O-CB 3.49Å; A83-H87 PolarHBondContact O-N 3.07Å; W84-H87 PolarHBondContact O-N 2.9Å; H87-T89 VanDerWaalsContact C-N 3.32Å; H87-T89 PolarHBondContact O-N 3.2Å; H87-S90 PolarHBondContact O-N 3.29Å; H87-M91 WeakPolarHBondContact O-CB 3.29Å; H87-M91 WeakPolarHBondContact O-CG 3.48Å; H87-M91 PolarHBondContact O-N 2.99Å; H87-G118 PolarHBondContact NE2-O 3.15Å; H87-F122 HydrophobicContact CB-CD2 3.91Å; H87-F122 HydrophobicContact CB-CE2 3.98Å; H87-F122 AromaticContact CD2-CD2 3.42Å; H87-F122 VanDerWaalsContact CD2-CD2 3.42Å; H87-F122 WeakPolarHBondContact CD2-CD2 3.05Å; H87-F122 AromaticContact CD2-CG 3.82Å; H87-F122 AromaticContact CG-CD2 3.63Å
88T95.4Very high93.4Very high17 Ų1742 Ų4210%0.10421%0.212CC..Hα-helixtrans-63-39.818048.50000112W84 H85 M91 V92 L119W84-T88 HydrophobicContact CD2-CG2 3.7Å; W84-T88 VanDerWaalsContact CE2-CG2 3.48Å; W84-T88 HydrophobicContact CE3-CG2 3.73Å; W84-T88 HydrophobicContact CH2-CG2 3.48Å; W84-T88 VanDerWaalsContact CH2-CG2 3.48Å; W84-T88 HydrophobicContact CZ2-CG2 3.39Å; W84-T88 HydrophobicContact CZ3-CG2 3.62Å; W84-T88 WeakPolarHBondContact O-CB 3.31Å; W84-T88 WeakPolarHBondContact O-CG2 3.41Å; W84-T88 PolarHBondContact O-N 3.17Å; W84-T88 PolarHBondContact O-OG1 3.3Å; H85-T88 PolarHBondContact O-OG1 2.79Å; H85-T88 VanDerWaalsContact O-OG1 3.07Å; T88-M91 PolarHBondContact O-N 3.37Å; T88-V92 WeakPolarHBondContact O-CG2 3.25Å; T88-V92 PolarHBondContact O-N 3.22Å; T88-V92 VanDerWaalsContact O-N 3.11Å; T88-L119 HydrophobicContact CG2-CD2 4.47Å
89T94.6Very high93.7Very high62 Ų6239.3 Ų39.338%0.3820%0.2SC..Hα-helixtrans-63.1-45.1175.7-58.20000111.2H85 H87 V92 M93H85-T89 VanDerWaalsContact O-CB 3.3Å; H85-T89 WeakPolarHBondContact O-CB 3.26Å; H85-T89 PolarHBondContact O-N 2.88Å; H85-T89 PolarHBondContact O-OG1 3.28Å; H87-T89 VanDerWaalsContact C-N 3.32Å; H87-T89 PolarHBondContact O-N 3.2Å; T89-V92 PolarHBondContact O-N 3.4Å; T89-M93 HydrophobicContact CG2-CE 4Å; T89-M93 WeakPolarHBondContact O-CE 3.3Å; T89-M93 PolarHBondContact O-N 2.96Å
90S94.9Very high93.9Very high4 Ų439.5 Ų39.53%0.02820%0.196CC..Hα-helixtrans-62.2-44.2176.5-59.90000112.1D86 H87 V92 M93 I94D86-S90 WeakPolarHBondContact O-CB 3.42Å; D86-S90 PolarHBondContact O-N 3.12Å; D86-S90 PolarHBondContact O-OG 3.07Å; H87-S90 PolarHBondContact O-N 3.29Å; S90-V92 VanDerWaalsContact C-N 3.32Å; S90-V92 PolarHBondContact O-N 2.86Å; S90-M93 PolarHBondContact O-N 3.19Å; S90-M93 VanDerWaalsContact O-N 3.17Å; S90-I94 VanDerWaalsContact O-CG1 3.29Å; S90-I94 WeakPolarHBondContact O-CG1 3.31Å; S90-I94 PolarHBondContact O-N 3.01Å
91M96.3Very high94Very high1 Ų139.6 Ų39.61%0.00520%0.196CC..Hα-helixtrans-66.7-29.8-179.6-74.1-55.2-48.700113.5V59 H87 T88 I94 R95 V114 Y115V59-M91 HydrophobicContact CG1-SD 4.45Å; V59-M91 HydrophobicContact CG2-SD 4.07Å; H87-M91 WeakPolarHBondContact O-CB 3.29Å; H87-M91 WeakPolarHBondContact O-CG 3.48Å; H87-M91 PolarHBondContact O-N 2.99Å; T88-M91 PolarHBondContact O-N 3.37Å; M91-I94 HydrophobicContact CE-CG2 4.48Å; M91-I94 HydrophobicContact SD-CD1 3.89Å; M91-R95 VanDerWaalsContact O-CB 3.26Å; M91-R95 WeakPolarHBondContact O-CB 3.4Å; M91-R95 PolarHBondContact O-N 3.42Å; M91-V114 HydrophobicContact CE-CG1 3.88Å; M91-V114 WeakPolarHBondContact CE-O 3.48Å; M91-Y115 HydrophobicContact CB-CD2 3.89Å; M91-Y115 HydrophobicContact CB-CE2 4.04Å
92V95.9Very high94.1Very high51 Ų5140.3 Ų40.331%0.30920%0.2SC..Hα-helixtrans-62.5-47.7171.3171.20000110.4T88 T89 S90 I94 R95 D96 Y115T88-V92 WeakPolarHBondContact O-CG2 3.25Å; T88-V92 PolarHBondContact O-N 3.22Å; T88-V92 VanDerWaalsContact O-N 3.11Å; T89-V92 PolarHBondContact O-N 3.4Å; S90-V92 VanDerWaalsContact C-N 3.32Å; S90-V92 PolarHBondContact O-N 2.86Å; V92-I94 PolarHBondContact O-N 3.48Å; V92-R95 WeakPolarHBondContact O-CB 3.44Å; V92-R95 PolarHBondContact O-N 3.42Å; V92-D96 VanDerWaalsContact O-CG 3.23Å; V92-D96 PolarHBondContact O-N 3.25Å; V92-Y115 HydrophobicContact CG2-CD2 4.33Å; V92-Y115 HydrophobicContact CG2-CE2 3.8Å
93M94.6Very high94.1Very high36 Ų3641 Ų4118%0.17720%0.199CC..Hα-helixtrans-64.4-41.7179.1-69.4-175.7-83.300112.1I22 N27 F32 T89 S90 D96 I97I22-M93 HydrophobicContact CD1-CB 4.41Å; I22-M93 HydrophobicContact CG2-CB 3.8Å; I22-M93 HydrophobicContact CG2-CE 3.7Å; I22-M93 HydrophobicContact CG2-SD 4.15Å; N27-M93 WeakPolarHBondContact ND2-CE 3.49Å; N27-M93 PolarHBondContact ND2-SD 2.63Å; F32-M93 HydrophobicContact CE1-CB 4.08Å; F32-M93 HydrophobicContact CE1-CG 4.4Å; F32-M93 HydrophobicContact CZ-CB 4.4Å; F32-M93 HydrophobicContact CZ-CG 4.43Å; F32-M93 HydrophobicContact CZ-SD 4.24Å; T89-M93 HydrophobicContact CG2-CE 4Å; T89-M93 WeakPolarHBondContact O-CE 3.3Å; T89-M93 PolarHBondContact O-N 2.96Å; S90-M93 PolarHBondContact O-N 3.19Å; S90-M93 VanDerWaalsContact O-N 3.17Å; M93-D96 PolarHBondContact O-N 2.96Å; M93-I97 PolarHBondContact O-N 3.02Å; M93-I97 VanDerWaalsContact O-N 3.1Å
94I95.6Very high94.2Very high1 Ų141 Ų411%0.00520%0.196CC..Hα-helixtrans-63.9-43.7176.9-66.4162.4000110.7I19 I22 Q23 L55 S90 M91 V92 D96 I97 L98 V114I19-I94 HydrophobicContact CG1-CG1 4.44Å; I19-I94 HydrophobicContact CG1-CG2 4.49Å; I19-I94 HydrophobicContact CG2-CD1 3.84Å; I19-I94 HydrophobicContact CG2-CG1 4.26Å; I22-I94 HydrophobicContact CD1-CG1 4.43Å; I22-I94 HydrophobicContact CG2-CG1 4.23Å; Q23-I94 HydrophobicContact CG-CD1 4.18Å; L55-I94 HydrophobicContact CD1-CG2 3.61Å; S90-I94 VanDerWaalsContact O-CG1 3.29Å; S90-I94 WeakPolarHBondContact O-CG1 3.31Å; S90-I94 PolarHBondContact O-N 3.01Å; M91-I94 HydrophobicContact CE-CG2 4.48Å; M91-I94 HydrophobicContact SD-CD1 3.89Å; V92-I94 PolarHBondContact O-N 3.48Å; I94-D96 VanDerWaalsContact C-N 3.27Å; I94-D96 PolarHBondContact O-N 3.49Å; I94-I97 PolarHBondContact O-N 3.25Å; I94-L98 HydrophobicContact CG2-CD1 3.8Å; I94-L98 HydrophobicContact CG2-CG 4.4Å; I94-L98 WeakPolarHBondContact O-CB 3.49Å; I94-L98 WeakPolarHBondContact O-CG 3.32Å; I94-L98 PolarHBondContact O-N 3.18Å; I94-V114 HydrophobicContact CG2-CG1 4.03Å
95R95.4Very high94.1Very high88 Ų8841.2 Ų41.233%0.33220%0.197SC..Hα-helixtrans-56.9-42.5173.9-179.4-15266-165.6-2.2111.3M91 V92 L98 M99 D102 V114M91-R95 VanDerWaalsContact O-CB 3.26Å; M91-R95 WeakPolarHBondContact O-CB 3.4Å; M91-R95 PolarHBondContact O-N 3.42Å; V92-R95 WeakPolarHBondContact O-CB 3.44Å; V92-R95 PolarHBondContact O-N 3.42Å; R95-L98 CarbonylContact O-C 3.51Å; R95-L98 VanDerWaalsContact O-C 3.27Å; R95-L98 PolarHBondContact O-N 3.15Å; R95-M99 WeakPolarHBondContact O-CA 3.26Å; R95-M99 PolarHBondContact O-N 3.46Å; R95-D102 WeakPolarHBondContact CG-OD2 3.42Å; R95-V114 HydrophobicContact CB-CB 4.42Å; R95-V114 HydrophobicContact CB-CG1 4.05Å; R95-V114 HydrophobicContact CG-CB 4.5Å
96D93.5Very high94.1Very high68 Ų6836.2 Ų36.236%0.36418%0.175SC..Hα-helixtrans-66.8-39.5-178.2-67.5-13.9000112V92 M93 I94 L98 M99V92-D96 VanDerWaalsContact O-CG 3.23Å; V92-D96 PolarHBondContact O-N 3.25Å; M93-D96 PolarHBondContact O-N 2.96Å; I94-D96 VanDerWaalsContact C-N 3.27Å; I94-D96 PolarHBondContact O-N 3.49Å; D96-L98 VanDerWaalsContact C-N 3.32Å; D96-M99 WeakPolarHBondContact O-CB 3.34Å; D96-M99 PolarHBondContact O-N 3.22Å
97I94.5Very high93.9Very high5 Ų540.9 Ų40.93%0.02620%0.195CC..Hα-helixtrans-63.9-40172-68.7166.4000111L15 I22 F32 L35 Y36 M93 I94 M99L15-I97 HydrophobicContact CD2-CG2 4.39Å; I22-I97 HydrophobicContact CD1-CD1 3.28Å; F32-I97 HydrophobicContact CD1-CD1 3.86Å; F32-I97 HydrophobicContact CD1-CG1 3.57Å; F32-I97 HydrophobicContact CE1-CD1 3.82Å; F32-I97 HydrophobicContact CE1-CG1 3.96Å; F32-I97 HydrophobicContact CG-CG1 4.43Å; L35-I97 HydrophobicContact CB-CD1 4.46Å; L35-I97 HydrophobicContact CB-CG1 4.38Å; L35-I97 HydrophobicContact CB-CG2 3.71Å; L35-I97 HydrophobicContact CD1-CD1 3.9Å; Y36-I97 WeakPolarHBondContact CD2-O 3.34Å; M93-I97 PolarHBondContact O-N 3.02Å; M93-I97 VanDerWaalsContact O-N 3.1Å; I94-I97 PolarHBondContact O-N 3.25Å; I97-M99 VanDerWaalsContact C-N 3.35Å
98L95.1Very high93.8Very high1 Ų147.1 Ų47.11%0.00522%0.224CC..THydrogen-bonded Turntrans-95.719-176-58.2-179000113.2A39 L51 L55 I94 R95 D96 Y100 M101 D102 V114A39-L98 HydrophobicContact CB-CD2 3.59Å; L51-L98 HydrophobicContact CD1-CD2 4.25Å; L51-L98 HydrophobicContact CD2-CD2 4.11Å; L51-L98 HydrophobicContact CG-CD2 4.41Å; L55-L98 HydrophobicContact CD1-CD1 4.08Å; L55-L98 HydrophobicContact CD2-CD1 3.73Å; L55-L98 HydrophobicContact CG-CD1 4.32Å; I94-L98 HydrophobicContact CG2-CD1 3.8Å; I94-L98 HydrophobicContact CG2-CG 4.4Å; I94-L98 WeakPolarHBondContact O-CB 3.49Å; I94-L98 WeakPolarHBondContact O-CG 3.32Å; I94-L98 PolarHBondContact O-N 3.18Å; R95-L98 CarbonylContact O-C 3.51Å; R95-L98 VanDerWaalsContact O-C 3.27Å; R95-L98 PolarHBondContact O-N 3.15Å; D96-L98 VanDerWaalsContact C-N 3.32Å; L98-Y100 PolarHBondContact O-N 2.98Å; L98-M101 HydrophobicContact CB-CB 4.38Å; L98-M101 HydrophobicContact CB-CE 4.2Å; L98-M101 HydrophobicContact CD1-CE 3.88Å; L98-M101 WeakPolarHBondContact O-CA 3.49Å; L98-M101 VanDerWaalsContact O-CB 3.22Å; L98-M101 WeakPolarHBondContact O-CB 3.2Å; L98-M101 PolarHBondContact O-N 2.92Å; L98-D102 PolarHBondContact O-N 3.42Å; L98-V114 HydrophobicContact CB-CG2 4.08Å; L98-V114 HydrophobicContact CD1-CG1 4.43Å; L98-V114 HydrophobicContact CD1-CG2 4.39Å
99M93.5Very high93.7Very high67 Ų6751.3 Ų51.333%0.3324%0.242SC..Hα-helixtrans-56.5-32.8-172.7174.3179.855.800113.1Y36 R95 D96 I97 R103Y36-M99 HydrophobicContact CD2-CE 4.41Å; Y36-M99 HydrophobicContact CE2-CB 4.1Å; Y36-M99 HydrophobicContact CE2-CE 3.7Å; R95-M99 WeakPolarHBondContact O-CA 3.26Å; R95-M99 PolarHBondContact O-N 3.46Å; D96-M99 WeakPolarHBondContact O-CB 3.34Å; D96-M99 PolarHBondContact O-N 3.22Å; I97-M99 VanDerWaalsContact C-N 3.35Å; M99-R103 WeakPolarHBondContact O-CG 3.41Å; M99-R103 PolarHBondContact O-N 3.01Å; M99-R103 PolarHBondContact SD-NH2 3.41Å
100Y93.6Very high93.5Very high52 Ų5254.1 Ų54.120%0.20426%0.263CS..Hα-helixtrans-71.4-31176.9-168.3-107.1000112.8Y40 V43 L98 R103 V104Y40-Y100 AromaticContact CD2-CD1 3.54Å; Y40-Y100 HydrophobicContact CD2-CD1 3.54Å; Y40-Y100 AromaticContact CD2-CD2 3.64Å; Y40-Y100 HydrophobicContact CD2-CD2 3.64Å; Y40-Y100 AromaticContact CD2-CE1 3.68Å; Y40-Y100 HydrophobicContact CD2-CE1 3.68Å; Y40-Y100 AromaticContact CD2-CE2 3.78Å; Y40-Y100 HydrophobicContact CD2-CE2 3.78Å; Y40-Y100 AromaticContact CD2-CG 3.52Å; Y40-Y100 HydrophobicContact CD2-CG 3.52Å; Y40-Y100 AromaticContact CD2-CZ 3.79Å; Y40-Y100 HydrophobicContact CE2-CD1 4.12Å; Y40-Y100 AromaticContact CE2-CD2 3.89Å; Y40-Y100 HydrophobicContact CE2-CD2 3.89Å; Y40-Y100 AromaticContact CE2-CE1 3.78Å; Y40-Y100 HydrophobicContact CE2-CE1 3.78Å; Y40-Y100 AromaticContact CE2-CE2 3.54Å; Y40-Y100 HydrophobicContact CE2-CE2 3.54Å; Y40-Y100 HydrophobicContact CE2-CG 4.17Å; Y40-Y100 AromaticContact CE2-CZ 3.46Å; Y40-Y100 VanDerWaalsContact CE2-CZ 3.46Å; Y40-Y100 HydrophobicContact CG-CD1 4.29Å; Y40-Y100 HydrophobicContact CG-CG 4.47Å; V43-Y100 HydrophobicContact CB-CD1 3.87Å; V43-Y100 HydrophobicContact CB-CE1 4.14Å; V43-Y100 HydrophobicContact CG1-CD1 3.8Å; V43-Y100 HydrophobicContact CG1-CE1 3.84Å; L98-Y100 PolarHBondContact O-N 2.98Å; Y100-R103 PolarHBondContact O-N 3.3Å; Y100-V104 HydrophobicContact CD1-CG2 4.31Å; Y100-V104 HydrophobicContact CD2-CG2 4.19Å; Y100-V104 HydrophobicContact CE1-CB 4.41Å; Y100-V104 HydrophobicContact CE1-CG2 3.87Å; Y100-V104 HydrophobicContact CE2-CG2 3.71Å; Y100-V104 HydrophobicContact CG-CG2 4.46Å; Y100-V104 PolarHBondContact O-N 3.04Å
101M93.4Very high93.4Very high1 Ų156.5 Ų56.51%0.00528%0.277CS..Hα-helixtrans-63.9-43.5174.5-169.3173.869.700110.9V43 L51 Y52 L55 L98 R103 V104 Y105 V106 V114V43-M101 HydrophobicContact CG2-CB 4.06Å; V43-M101 HydrophobicContact CG2-CG 4.23Å; L51-M101 HydrophobicContact CB-SD 4.2Å; L51-M101 HydrophobicContact CD2-SD 3.85Å; L51-M101 HydrophobicContact CG-SD 3.78Å; Y52-M101 HydrophobicContact CD2-CE 3.77Å; Y52-M101 HydrophobicContact CD2-SD 4.09Å; L55-M101 HydrophobicContact CD2-CE 3.98Å; L98-M101 HydrophobicContact CB-CB 4.38Å; L98-M101 HydrophobicContact CB-CE 4.2Å; L98-M101 HydrophobicContact CD1-CE 3.88Å; L98-M101 WeakPolarHBondContact O-CA 3.49Å; L98-M101 VanDerWaalsContact O-CB 3.22Å; L98-M101 WeakPolarHBondContact O-CB 3.2Å; L98-M101 PolarHBondContact O-N 2.92Å; M101-R103 VanDerWaalsContact C-N 3.31Å; M101-R103 PolarHBondContact O-N 3.28Å; M101-V104 PolarHBondContact O-N 3.13Å; M101-Y105 HydrophobicContact CG-CD1 4.25Å; M101-Y105 HydrophobicContact CG-CG 4.36Å; M101-Y105 WeakPolarHBondContact O-CB 3.45Å; M101-Y105 PolarHBondContact O-N 3.01Å; M101-V106 PolarHBondContact O-N 3.28Å; M101-V114 HydrophobicContact CE-CG2 3.16Å
102D92.4Very high93.3Very high30 Ų3060.2 Ų60.216%0.1629%0.294CS..Iπ-helixtrans-61-38.8174.9-89.9-17.6000112.5R95 L98 S113 V114R95-D102 WeakPolarHBondContact CG-OD2 3.42Å; L98-D102 PolarHBondContact O-N 3.42Å; D102-S113 VanDerWaalsContact OD1-CA 3.29Å; D102-S113 WeakPolarHBondContact OD1-CA 3.48Å; D102-S113 WeakPolarHBondContact OD1-CB 3.49Å; D102-V114 WeakPolarHBondContact OD1-CG2 3.25Å; D102-V114 PolarHBondContact OD1-N 3.47Å
103R91.5Very high93.3Very high151 Ų15159.2 Ų59.257%0.5729%0.29SS*.Iπ-helixtrans-74-31.9-178.6-72.5-178.2-176.4-177.83.3113.9M99 Y100 M101 Q107M99-R103 WeakPolarHBondContact O-CG 3.41Å; M99-R103 PolarHBondContact O-N 3.01Å; M99-R103 PolarHBondContact SD-NH2 3.41Å; Y100-R103 PolarHBondContact O-N 3.3Å; M101-R103 VanDerWaalsContact C-N 3.31Å; M101-R103 PolarHBondContact O-N 3.28Å; R103-Q107 PolarHBondContact O-OE1 2.87Å
104V92.4Very high93.3Very high32 Ų3257.5 Ų57.519%0.19428%0.282CS..Iπ-helixtrans-114.1-65.5-170.9-176.70000111.2V43 Y100 M101 Q108V43-V104 HydrophobicContact CG1-CB 4.24Å; V43-V104 HydrophobicContact CG1-CG1 4.38Å; Y100-V104 HydrophobicContact CD1-CG2 4.31Å; Y100-V104 HydrophobicContact CD2-CG2 4.19Å; Y100-V104 HydrophobicContact CE1-CB 4.41Å; Y100-V104 HydrophobicContact CE1-CG2 3.87Å; Y100-V104 HydrophobicContact CE2-CG2 3.71Å; Y100-V104 HydrophobicContact CG-CG2 4.46Å; Y100-V104 PolarHBondContact O-N 3.04Å; M101-V104 PolarHBondContact O-N 3.13Å; V104-Q108 VanDerWaalsContact O-CB 3.3Å; V104-Q108 WeakPolarHBondContact O-CB 3.33Å; V104-Q108 WeakPolarHBondContact O-CG 3.35Å; V104-Q108 PolarHBondContact O-N 2.92Å
105Y92.9Very high93.3Very high28 Ų2860.3 Ų60.311%0.1129%0.293CS..Iπ-helixtrans-65.6-49.5-172.5-178.5-94.9000111.9D49 Y52 M101 Q107 Q108 H109 V111D49-Y105 VanDerWaalsContact CA-OH 3.26Å; D49-Y105 WeakPolarHBondContact CA-OH 3.4Å; D49-Y105 HydrophobicContact CB-CE2 4.13Å; D49-Y105 WeakPolarHBondContact CB-OH 3.42Å; D49-Y105 VanDerWaalsContact N-CE2 3.26Å; Y52-Y105 HydrophobicContact CD1-CE1 4.48Å; Y52-Y105 HydrophobicContact CD2-CD1 4.19Å; Y52-Y105 HydrophobicContact CD2-CE1 4.14Å; Y52-Y105 HydrophobicContact CG-CD1 4.32Å; Y52-Y105 AromaticContact CG-CE1 3.85Å; Y52-Y105 HydrophobicContact CG-CE1 3.85Å; M101-Y105 HydrophobicContact CG-CD1 4.25Å; M101-Y105 HydrophobicContact CG-CG 4.36Å; M101-Y105 WeakPolarHBondContact O-CB 3.45Å; M101-Y105 PolarHBondContact O-N 3.01Å; Y105-Q107 VanDerWaalsContact C-N 3.33Å; Y105-Q107 PolarHBondContact O-N 2.86Å; Y105-Q108 PolarHBondContact O-N 3.44Å; Y105-H109 AromaticContact CD2-CD2 3.36Å; Y105-H109 WeakPolarHBondContact CD2-CD2 3.23Å; Y105-H109 AromaticContact CD2-NE2 3.73Å; Y105-H109 AromaticContact CE2-CD2 3.2Å; Y105-H109 WeakPolarHBondContact CE2-CD2 3.34Å; Y105-H109 AromaticContact CE2-CG 3.94Å; Y105-H109 AromaticContact CE2-NE2 3.4Å; Y105-H109 WeakPolarHBondContact CE2-NE2 3.36Å; Y105-H109 AromaticContact CG-CD2 3.99Å; Y105-H109 AromaticContact CZ-CD2 3.71Å; Y105-H109 WeakPolarHBondContact O-CB 3.44Å; Y105-H109 PolarHBondContact O-CD2 2.93Å; Y105-H109 PolarHBondContact O-N 3.42Å; Y105-V111 HydrophobicContact CD1-CG2 4.36Å; Y105-V111 HydrophobicContact CE1-CG2 4.15Å
106V93Very high93.4Very high13 Ų1357.7 Ų57.78%0.07929%0.285CS..Iπ-helixtrans-59.8-44.1-178.3171.10000111.3Y52 M101 C110 V111Y52-V106 HydrophobicContact CD2-CG2 4.37Å; Y52-V106 HydrophobicContact CE2-CG2 4.07Å; M101-V106 PolarHBondContact O-N 3.28Å; V106-C110 WeakPolarHBondContact O-CA 3.48Å; V106-C110 PolarHBondContact O-N 2.96Å; V106-V111 HydrophobicContact CB-CG2 4.28Å; V106-V111 HydrophobicContact CG1-CG2 4.38Å; V106-V111 WeakPolarHBondContact CG1-O 3.32Å; V106-V111 HydrophobicContact CG2-CG2 4.14Å; V106-V111 PolarHBondContact O-N 2.8Å
107Q89.8Confident93.5Very high142 Ų14254.7 Ų54.766%0.66427%0.269SS*.Hα-helixtrans-67-43.6177.4-68-171.7-1.200112.8R103 Y105R103-Q107 PolarHBondContact O-OE1 2.87Å; Y105-Q107 VanDerWaalsContact C-N 3.33Å; Y105-Q107 PolarHBondContact O-N 2.86Å
108Q91.8Very high93.5Very high140 Ų14054.5 Ų54.565%0.65427%0.268SS*.Hα-helixtrans-68.1-34.6-178-75.8175.7-1.500113.1V104 Y105V104-Q108 VanDerWaalsContact O-CB 3.3Å; V104-Q108 WeakPolarHBondContact O-CB 3.33Å; V104-Q108 WeakPolarHBondContact O-CG 3.35Å; V104-Q108 PolarHBondContact O-N 2.92Å; Y105-Q108 PolarHBondContact O-N 3.44Å
109H92.3Very high93.6Very high105 Ų10554.8 Ų54.849%0.48627%0.27SS..Hα-helixtrans-98.9-0.2-177.5-70.5-81.7000113.8Y105 V111Y105-H109 AromaticContact CD2-CD2 3.36Å; Y105-H109 WeakPolarHBondContact CD2-CD2 3.23Å; Y105-H109 AromaticContact CD2-NE2 3.73Å; Y105-H109 AromaticContact CE2-CD2 3.2Å; Y105-H109 WeakPolarHBondContact CE2-CD2 3.34Å; Y105-H109 AromaticContact CE2-CG 3.94Å; Y105-H109 AromaticContact CE2-NE2 3.4Å; Y105-H109 WeakPolarHBondContact CE2-NE2 3.36Å; Y105-H109 AromaticContact CG-CD2 3.99Å; Y105-H109 AromaticContact CZ-CD2 3.71Å; Y105-H109 WeakPolarHBondContact O-CB 3.44Å; Y105-H109 PolarHBondContact O-CD2 2.93Å; Y105-H109 PolarHBondContact O-N 3.42Å; H109-V111 HydrophobicContact CB-CG1 4.22Å; H109-V111 HydrophobicContact CB-CG2 4.45Å; H109-V111 PolarHBondContact O-N 3.02Å
110C91Very high93.7Very high121 Ų12153.1 Ų53.182%0.81826%0.262SS*.THydrogen-bonded Turntrans50.939.1-177.9-56.30000112.9V106V106-C110 WeakPolarHBondContact O-CA 3.48Å; V106-C110 PolarHBondContact O-N 2.96Å
111V93.5Very high93.7Very high54 Ų5451.1 Ų51.133%0.32725%0.254SS..PPolyproline II helixtrans-94.9173.8173.5-63.70000110.2Y52 Y105 V106 H109Y52-V111 HydrophobicContact CD2-CG2 4.34Å; Y52-V111 HydrophobicContact CE1-CB 4.36Å; Y52-V111 HydrophobicContact CE1-CG2 4.28Å; Y52-V111 HydrophobicContact CE2-CG2 3.84Å; Y105-V111 HydrophobicContact CD1-CG2 4.36Å; Y105-V111 HydrophobicContact CE1-CG2 4.15Å; V106-V111 HydrophobicContact CB-CG2 4.28Å; V106-V111 HydrophobicContact CG1-CG2 4.38Å; V106-V111 WeakPolarHBondContact CG1-O 3.32Å; V106-V111 HydrophobicContact CG2-CG2 4.14Å; V106-V111 PolarHBondContact O-N 2.8Å; H109-V111 HydrophobicContact CB-CG1 4.22Å; H109-V111 HydrophobicContact CB-CG2 4.45Å; H109-V111 PolarHBondContact O-N 3.02Å
112E93.8Very high93.8Very high78 Ų7851.2 Ų51.236%0.36426%0.255SS..PPolyproline II helixtrans-72146178.7-71-66.4161.400111.9Y52 N116 I120Y52-E112 VanDerWaalsContact CE2-O 3.26Å; Y52-E112 WeakPolarHBondContact CE2-O 3.41Å; Y52-E112 PolarHBondContact OH-N 3.04Å; Y52-E112 PolarHBondContact OH-O 3.48Å; E112-N116 HydrophobicContact CB-CB 4.19Å; E112-N116 WeakPolarHBondContact OE2-CB 3.42Å; E112-N116 PolarHBondContact OE2-ND2 3.46Å; E112-I120 HydrophobicContact CB-CD1 4.26Å; E112-I120 HydrophobicContact CG-CD1 3.62Å
113S95.2Very high93.9Very high31 Ų3152 Ų5222%0.21726%0.256CS..PPolyproline II helixtrans-59.4155.9173.470.80000111.3D102 Y115 N116 L117D102-S113 VanDerWaalsContact OD1-CA 3.29Å; D102-S113 WeakPolarHBondContact OD1-CA 3.48Å; D102-S113 WeakPolarHBondContact OD1-CB 3.49Å; S113-Y115 PolarHBondContact O-N 2.77Å; S113-N116 PolarHBondContact O-N 3.01Å; S113-N116 VanDerWaalsContact O-N 3.08Å; S113-N116 WeakPolarHBondContact OG-CB 3.48Å; S113-N116 PolarHBondContact OG-N 3.07Å; S113-N116 PolarHBondContact OG-ND2 3.3Å; S113-N116 PolarHBondContact OG-OD1 3.15Å; S113-L117 WeakPolarHBondContact O-CB 3.37Å; S113-L117 PolarHBondContact O-N 3.16Å
114V95.6Very high93.9Very high0 Ų047.7 Ų47.70%024%0.244CC..Hα-helixtrans-51.6-46.3-179.9168.40000111.5L55 M91 I94 R95 L98 M101 D102 L117 G118L55-V114 HydrophobicContact CD2-CB 4.46Å; L55-V114 HydrophobicContact CD2-CG1 3.89Å; L55-V114 HydrophobicContact CD2-CG2 4.11Å; M91-V114 HydrophobicContact CE-CG1 3.88Å; M91-V114 WeakPolarHBondContact CE-O 3.48Å; I94-V114 HydrophobicContact CG2-CG1 4.03Å; R95-V114 HydrophobicContact CB-CB 4.42Å; R95-V114 HydrophobicContact CB-CG1 4.05Å; R95-V114 HydrophobicContact CG-CB 4.5Å; L98-V114 HydrophobicContact CB-CG2 4.08Å; L98-V114 HydrophobicContact CD1-CG1 4.43Å; L98-V114 HydrophobicContact CD1-CG2 4.39Å; M101-V114 HydrophobicContact CE-CG2 3.16Å; D102-V114 WeakPolarHBondContact OD1-CG2 3.25Å; D102-V114 PolarHBondContact OD1-N 3.47Å; V114-L117 PolarHBondContact O-N 3.02Å; V114-G118 PolarHBondContact O-N 2.98Å; V114-G118 VanDerWaalsContact O-N 3.15Å
115Y96.3Very high93.9Very high60 Ų6048.7 Ų48.724%0.23525%0.246CC..Hα-helixtrans-65.4-47.2179.2-170.6-101.5000111.6M91 V92 S113 L117 G118 L119M91-Y115 HydrophobicContact CB-CD2 3.89Å; M91-Y115 HydrophobicContact CB-CE2 4.04Å; V92-Y115 HydrophobicContact CG2-CD2 4.33Å; V92-Y115 HydrophobicContact CG2-CE2 3.8Å; S113-Y115 PolarHBondContact O-N 2.77Å; Y115-L117 VanDerWaalsContact C-N 3.33Å; Y115-L117 PolarHBondContact O-N 3.27Å; Y115-G118 WeakPolarHBondContact O-CA 3.43Å; Y115-G118 PolarHBondContact O-N 2.92Å; Y115-G118 VanDerWaalsContact O-N 3.09Å; Y115-L119 HydrophobicContact CD1-CD1 4.16Å; Y115-L119 HydrophobicContact CD1-CG 4.25Å; Y115-L119 HydrophobicContact CE1-CD1 3.85Å; Y115-L119 HydrophobicContact CE1-CD2 3.99Å; Y115-L119 HydrophobicContact CE1-CG 4.08Å; Y115-L119 WeakPolarHBondContact O-CG 3.48Å; Y115-L119 PolarHBondContact O-N 3.13Å; Y115-L119 VanDerWaalsContact O-N 3.08Å
116N95.7Very high93.8Very high33 Ų3347.6 Ų47.618%0.17624%0.243CC..Hα-helixtrans-62.2-38.8178.2-72.2-0.9000112.5E112 S113 G118 L119 I120 V170E112-N116 HydrophobicContact CB-CB 4.19Å; E112-N116 WeakPolarHBondContact OE2-CB 3.42Å; E112-N116 PolarHBondContact OE2-ND2 3.46Å; S113-N116 PolarHBondContact O-N 3.01Å; S113-N116 VanDerWaalsContact O-N 3.08Å; S113-N116 WeakPolarHBondContact OG-CB 3.48Å; S113-N116 PolarHBondContact OG-N 3.07Å; S113-N116 PolarHBondContact OG-ND2 3.3Å; S113-N116 PolarHBondContact OG-OD1 3.15Å; N116-G118 VanDerWaalsContact C-N 3.28Å; N116-G118 PolarHBondContact O-N 3.2Å; N116-L119 WeakPolarHBondContact O-CB 3.33Å; N116-L119 PolarHBondContact O-N 3.15Å; N116-L119 VanDerWaalsContact O-N 3.09Å; N116-I120 WeakPolarHBondContact O-CG1 3.3Å; N116-I120 PolarHBondContact O-N 3.02Å; N116-V170 HydrophobicContact CB-CG1 4.06Å; N116-V170 HydrophobicContact CB-CG2 4.49Å; N116-V170 WeakPolarHBondContact ND2-CG1 3.46Å
117L95.6Very high93.8Very high4 Ų447 Ų472%0.02124%0.239CC..Hα-helixtrans-57.4-45.7173.6175.865.7000110Y52 L55 R56 S113 V114 Y115 L119 I120 L121Y52-L117 HydrophobicContact CE1-CD2 4.03Å; Y52-L117 HydrophobicContact CE2-CD2 4.14Å; L55-L117 HydrophobicContact CD2-CD2 4.2Å; R56-L117 HydrophobicContact CB-CD2 4.23Å; S113-L117 WeakPolarHBondContact O-CB 3.37Å; S113-L117 PolarHBondContact O-N 3.16Å; V114-L117 PolarHBondContact O-N 3.02Å; Y115-L117 VanDerWaalsContact C-N 3.33Å; Y115-L117 PolarHBondContact O-N 3.27Å; L117-L119 VanDerWaalsContact C-N 3.3Å; L117-L119 PolarHBondContact O-N 3.48Å; L117-I120 PolarHBondContact O-N 3.16Å; L117-L121 HydrophobicContact CD1-CD1 4.17Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 4.02Å; L117-L121 HydrophobicContact CG-CG 4.38Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 VanDerWaalsContact O-CG 3.26Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 3.39Å
118G95.7Very high93.8Very high1 Ų144.7 Ų44.71%0.0122%0.224CC..Hα-helixtrans-57.5-40.817400000113H87 V114 Y115 N116 F122H87-G118 PolarHBondContact NE2-O 3.15Å; V114-G118 PolarHBondContact O-N 2.98Å; V114-G118 VanDerWaalsContact O-N 3.15Å; Y115-G118 WeakPolarHBondContact O-CA 3.43Å; Y115-G118 PolarHBondContact O-N 2.92Å; Y115-G118 VanDerWaalsContact O-N 3.09Å; N116-G118 VanDerWaalsContact C-N 3.28Å; N116-G118 PolarHBondContact O-N 3.2Å; G118-F122 WeakPolarHBondContact O-CB 3.42Å; G118-F122 PolarHBondContact O-N 2.73Å
119L96.4Very high93.6Very high8 Ų842.3 Ų42.34%0.04221%0.21CC..Hα-helixtrans-65.5-44.7176.4-56.3-168.4000112.1W84 T88 Y115 N116 L117 L121 F122 R123 A167 L168 V170W84-L119 HydrophobicContact CH2-CD2 3.56Å; W84-L119 HydrophobicContact CZ3-CD2 3.85Å; T88-L119 HydrophobicContact CG2-CD2 4.47Å; Y115-L119 HydrophobicContact CD1-CD1 4.16Å; Y115-L119 HydrophobicContact CD1-CG 4.25Å; Y115-L119 HydrophobicContact CE1-CD1 3.85Å; Y115-L119 HydrophobicContact CE1-CD2 3.99Å; Y115-L119 HydrophobicContact CE1-CG 4.08Å; Y115-L119 WeakPolarHBondContact O-CG 3.48Å; Y115-L119 PolarHBondContact O-N 3.13Å; Y115-L119 VanDerWaalsContact O-N 3.08Å; N116-L119 WeakPolarHBondContact O-CB 3.33Å; N116-L119 PolarHBondContact O-N 3.15Å; N116-L119 VanDerWaalsContact O-N 3.09Å; L117-L119 VanDerWaalsContact C-N 3.3Å; L117-L119 PolarHBondContact O-N 3.48Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.03Å; L119-F122 PolarHBondContact O-N 2.9Å; L119-R123 WeakPolarHBondContact O-CB 3.26Å; L119-R123 PolarHBondContact O-N 3.45Å; L119-A167 WeakPolarHBondContact CD1-O 3.41Å; L119-L168 HydrophobicContact CB-CD2 4.47Å; L119-L168 WeakPolarHBondContact O-CD2 3.5Å; L119-V170 HydrophobicContact CB-CG2 4.08Å; L119-V170 HydrophobicContact CD1-CG2 4.3Å
120I95.1Very high93.1Very high31 Ų3145.6 Ų45.616%0.15923%0.225CC..Hα-helixtrans-61.7-44.5178.3-73.6164000110.7E112 N116 L117 R123 D124 V170E112-I120 HydrophobicContact CB-CD1 4.26Å; E112-I120 HydrophobicContact CG-CD1 3.62Å; N116-I120 WeakPolarHBondContact O-CG1 3.3Å; N116-I120 PolarHBondContact O-N 3.02Å; L117-I120 PolarHBondContact O-N 3.16Å; I120-R123 WeakPolarHBondContact O-CB 3.41Å; I120-R123 PolarHBondContact O-N 3.47Å; I120-D124 WeakPolarHBondContact O-CB 3.26Å; I120-D124 PolarHBondContact O-N 3.43Å; I120-V170 HydrophobicContact CD1-CG2 4.47Å; I120-V170 HydrophobicContact CG1-CG2 4.05Å
121L94.8Very high92.8Very high10 Ų1040.7 Ų40.75%0.05220%0.195CC..Hα-helixtrans-64.6-41.4177.3-66.8175.7000111.5R56 V59 M60 L63 L117 L119 R123 D124 E125R56-L121 HydrophobicContact CG-CD1 4.1Å; R56-L121 HydrophobicContact CG-CD2 4.12Å; V59-L121 HydrophobicContact CB-CD1 3.83Å; V59-L121 HydrophobicContact CG1-CB 4.32Å; V59-L121 HydrophobicContact CG1-CD1 3.66Å; M60-L121 HydrophobicContact CG-CD1 4.23Å; M60-L121 HydrophobicContact CG-CD2 3.72Å; M60-L121 HydrophobicContact CG-CG 4.46Å; M60-L121 HydrophobicContact SD-CD2 4.02Å; L63-L121 HydrophobicContact CD1-CB 3.84Å; L117-L121 HydrophobicContact CD1-CD1 4.17Å; L117-L121 HydrophobicContact CD1-CG 4.15Å; L117-L121 HydrophobicContact CG-CD1 4.02Å; L117-L121 HydrophobicContact CG-CG 4.38Å; L117-L121 WeakPolarHBondContact O-CB 3.47Å; L117-L121 VanDerWaalsContact O-CG 3.26Å; L117-L121 WeakPolarHBondContact O-CG 3.46Å; L117-L121 PolarHBondContact O-N 3.39Å; L119-L121 VanDerWaalsContact C-N 3.35Å; L119-L121 PolarHBondContact O-N 3.03Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.42Å; L121-D124 PolarHBondContact O-N 2.96Å; L121-E125 WeakPolarHBondContact O-CA 3.31Å; L121-E125 WeakPolarHBondContact O-CB 3.49Å; L121-E125 PolarHBondContact O-N 3.44Å
122F95Very high92.7Very high3 Ų338.1 Ų38.11%0.01318%0.18CC..Hα-helixtrans-63.8-39.2174.8-164.9-86.6000112.1L63 L80 W84 H87 G118 L119 V126 I127 M164 L168L63-F122 HydrophobicContact CD2-CD2 3.71Å; L63-F122 HydrophobicContact CD2-CE2 4.32Å; L80-F122 HydrophobicContact CD1-CE1 4.46Å; L80-F122 HydrophobicContact CD1-CZ 4.23Å; W84-F122 HydrophobicContact CB-CE1 4.28Å; W84-F122 HydrophobicContact CB-CZ 3.92Å; W84-F122 AromaticContact CE3-CD1 3.74Å; W84-F122 HydrophobicContact CE3-CD1 3.74Å; W84-F122 HydrophobicContact CE3-CD2 4.42Å; W84-F122 AromaticContact CE3-CE1 3.77Å; W84-F122 HydrophobicContact CE3-CE1 3.77Å; W84-F122 HydrophobicContact CE3-CE2 4.46Å; W84-F122 HydrophobicContact CE3-CG 4.07Å; W84-F122 HydrophobicContact CE3-CZ 4.15Å; W84-F122 HydrophobicContact CZ3-CD1 4.07Å; W84-F122 HydrophobicContact CZ3-CG 4.28Å; H87-F122 HydrophobicContact CB-CD2 3.91Å; H87-F122 HydrophobicContact CB-CE2 3.98Å; H87-F122 AromaticContact CD2-CD2 3.42Å; H87-F122 VanDerWaalsContact CD2-CD2 3.42Å; H87-F122 WeakPolarHBondContact CD2-CD2 3.05Å; H87-F122 AromaticContact CD2-CG 3.82Å; H87-F122 AromaticContact CG-CD2 3.63Å; G118-F122 WeakPolarHBondContact O-CB 3.42Å; G118-F122 PolarHBondContact O-N 2.73Å; L119-F122 PolarHBondContact O-N 2.9Å; F122-V126 HydrophobicContact CD1-CB 4.31Å; F122-V126 HydrophobicContact CD2-CB 4.42Å; F122-V126 HydrophobicContact CD2-CG2 4Å; F122-V126 HydrophobicContact CE1-CB 4.25Å; F122-V126 HydrophobicContact CE1-CG1 4.32Å; F122-V126 HydrophobicContact CE2-CB 4.36Å; F122-V126 HydrophobicContact CE2-CG1 4.42Å; F122-V126 HydrophobicContact CE2-CG2 4.1Å; F122-V126 HydrophobicContact CG-CB 4.41Å; F122-V126 HydrophobicContact CG-CG2 4.32Å; F122-V126 HydrophobicContact CZ-CB 4.28Å; F122-V126 HydrophobicContact CZ-CG1 4.09Å; F122-V126 WeakPolarHBondContact O-CA 3.43Å; F122-V126 VanDerWaalsContact O-CB 3.25Å; F122-V126 WeakPolarHBondContact O-CB 3.4Å; F122-V126 PolarHBondContact O-N 2.68Å; F122-I127 HydrophobicContact CD1-CG1 4.03Å; F122-I127 HydrophobicContact CE1-CD1 3.95Å; F122-I127 HydrophobicContact CE1-CG1 3.92Å; F122-I127 PolarHBondContact O-N 2.63Å; F122-I127 VanDerWaalsContact O-N 3.16Å; F122-M164 HydrophobicContact CE1-SD 3.86Å; F122-L168 HydrophobicContact CB-CD2 4.11Å; F122-L168 HydrophobicContact CD1-CD1 4.35Å; F122-L168 HydrophobicContact CD1-CD2 3.91Å; F122-L168 HydrophobicContact CG-CD2 4.46Å
123R94.1Very high92.5Very high47 Ų4739.4 Ų39.418%0.17718%0.181CC..Iπ-helixtrans-60.4-54.1175.6-178.2-166.366.6-154.5-1.1110.9L119 I120 L121 I127 R128 L168 V175L119-R123 WeakPolarHBondContact O-CB 3.26Å; L119-R123 PolarHBondContact O-N 3.45Å; I120-R123 WeakPolarHBondContact O-CB 3.41Å; I120-R123 PolarHBondContact O-N 3.47Å; L121-R123 VanDerWaalsContact C-N 3.33Å; L121-R123 PolarHBondContact O-N 3.42Å; R123-I127 PolarHBondContact O-N 3.28Å; R123-R128 HydrophobicContact CG-CG 4.29Å; R123-R128 WeakPolarHBondContact O-CB 3.33Å; R123-R128 WeakPolarHBondContact O-CG 3.39Å; R123-R128 PolarHBondContact O-N 2.84Å; R123-L168 HydrophobicContact CB-CB 4.17Å; R123-L168 HydrophobicContact CB-CD2 4.03Å; R123-L168 HydrophobicContact CB-CG 4.47Å; R123-L168 HydrophobicContact CG-CB 4.34Å; R123-V175 VanDerWaalsContact CD-CG2 3.45Å; R123-V175 HydrophobicContact CG-CG2 4.14Å
124D92.5Very high92.3Very high60 Ų6042 Ų4232%0.32119%0.19SC..Iπ-helixtrans-77.8-37.3-170-65.1-22.7000111.7I120 L121I120-D124 WeakPolarHBondContact O-CB 3.26Å; I120-D124 PolarHBondContact O-N 3.43Å; L121-D124 PolarHBondContact O-N 2.96Å
125E90.8Very high92Very high53 Ų5345.4 Ų45.425%0.24821%0.206CC..Iπ-helixtrans-95.4-15.2-177-60.1-58.9152.300114.6M60 L63 R65 L121M60-E125 HydrophobicContact CE-CG 4.41Å; M60-E125 HydrophobicContact CG-CG 4.43Å; L63-E125 HydrophobicContact CD1-CB 4.41Å; R65-E125 WeakPolarHBondContact CD-O 3.09Å; R65-E125 WeakPolarHBondContact CG-O 3.31Å; R65-E125 IonicContact CZ-OE2 3.54Å; R65-E125 PolarHBondContact NE-O 2.98Å; R65-E125 PolarHBondContact NH1-O 2.93Å; R65-E125 IonicContact NH1-OE2 3.47Å; R65-E125 PolarHBondContact NH1-OE2 3.36Å; R65-E125 IonicContact NH2-OE2 2.81Å; R65-E125 PolarHBondContact NH2-OE2 3.44Å; L121-E125 WeakPolarHBondContact O-CA 3.31Å; L121-E125 WeakPolarHBondContact O-CB 3.49Å; L121-E125 PolarHBondContact O-N 3.44Å
126V92.2Very high91.8Very high5 Ų542.7 Ų42.73%0.0320%0.195CC..Iπ-helixtrans-116.9-63.8177.9-172.20000110.8L63 L80 F122 Y129 I132L63-V126 HydrophobicContact CB-CG2 4.18Å; L63-V126 HydrophobicContact CD2-CG2 3.97Å; L63-V126 HydrophobicContact CG-CG2 4.5Å; L80-V126 HydrophobicContact CD1-CG1 3.87Å; F122-V126 HydrophobicContact CD1-CB 4.31Å; F122-V126 HydrophobicContact CD2-CB 4.42Å; F122-V126 HydrophobicContact CD2-CG2 4Å; F122-V126 HydrophobicContact CE1-CB 4.25Å; F122-V126 HydrophobicContact CE1-CG1 4.32Å; F122-V126 HydrophobicContact CE2-CB 4.36Å; F122-V126 HydrophobicContact CE2-CG1 4.42Å; F122-V126 HydrophobicContact CE2-CG2 4.1Å; F122-V126 HydrophobicContact CG-CB 4.41Å; F122-V126 HydrophobicContact CG-CG2 4.32Å; F122-V126 HydrophobicContact CZ-CB 4.28Å; F122-V126 HydrophobicContact CZ-CG1 4.09Å; F122-V126 WeakPolarHBondContact O-CA 3.43Å; F122-V126 VanDerWaalsContact O-CB 3.25Å; F122-V126 WeakPolarHBondContact O-CB 3.4Å; F122-V126 PolarHBondContact O-N 2.68Å; V126-Y129 WeakPolarHBondContact O-CB 3.24Å; V126-Y129 PolarHBondContact O-N 3.4Å; V126-I132 WeakPolarHBondContact O-CD1 3.43Å
127I91.8Very high91.7Very high1 Ų142.1 Ų42.11%0.00519%0.193CC..Iπ-helixtrans-67.2-44.1-172.3-61.9-57000112.3L80 F122 R123 Y129 R133 L136 M164 L165 L168L80-I127 HydrophobicContact CD1-CD1 3.78Å; L80-I127 HydrophobicContact CD2-CD1 3.68Å; L80-I127 HydrophobicContact CG-CD1 4.11Å; F122-I127 HydrophobicContact CD1-CG1 4.03Å; F122-I127 HydrophobicContact CE1-CD1 3.95Å; F122-I127 HydrophobicContact CE1-CG1 3.92Å; F122-I127 PolarHBondContact O-N 2.63Å; F122-I127 VanDerWaalsContact O-N 3.16Å; R123-I127 PolarHBondContact O-N 3.28Å; I127-Y129 VanDerWaalsContact C-N 3.25Å; I127-Y129 PolarHBondContact O-N 2.9Å; I127-R133 WeakPolarHBondContact O-CA 3.39Å; I127-R133 WeakPolarHBondContact O-CB 3.43Å; I127-R133 PolarHBondContact O-N 3.25Å; I127-L136 HydrophobicContact CD1-CD2 4.17Å; I127-L136 HydrophobicContact CG2-CD2 4.36Å; I127-M164 HydrophobicContact CD1-CE 3.6Å; I127-M164 HydrophobicContact CD1-SD 4.04Å; I127-M164 HydrophobicContact CG1-CE 4.45Å; I127-L165 HydrophobicContact CG2-CD2 4.08Å; I127-L168 HydrophobicContact CB-CD1 4.3Å; I127-L168 HydrophobicContact CG1-CD1 3.53Å
128R90.2Very high91.6Very high93 Ų9345.3 Ų45.335%0.35121%0.208SC..THydrogen-bonded Turntrans-86.38.7-178.1-68.1-175.6167-167.3-11.8113.8R123 E178R123-R128 HydrophobicContact CG-CG 4.29Å; R123-R128 WeakPolarHBondContact O-CB 3.33Å; R123-R128 WeakPolarHBondContact O-CG 3.39Å; R123-R128 PolarHBondContact O-N 2.84Å; R128-E178 IonicContact NH2-OE2 3.83Å; R128-E178 PolarHBondContact NH2-OE2 3.1Å
129Y88.4Confident91.4Very high91 Ų9147.4 Ų47.436%0.35722%0.219SC..SBendtrans-67.3145.4170.8-172-109.9000111R65 L69 V126 I127 G131 I132R65-Y129 VanDerWaalsContact CD-CG 3.41Å; L69-Y129 HydrophobicContact CD1-CE1 3.97Å; L69-Y129 HydrophobicContact CD2-CD1 3.78Å; L69-Y129 HydrophobicContact CD2-CE1 3.58Å; L69-Y129 HydrophobicContact CG-CE1 4.36Å; V126-Y129 WeakPolarHBondContact O-CB 3.24Å; V126-Y129 PolarHBondContact O-N 3.4Å; I127-Y129 VanDerWaalsContact C-N 3.25Å; I127-Y129 PolarHBondContact O-N 2.9Å; Y129-G131 PolarHBondContact O-N 3.19Å; Y129-I132 HydrophobicContact CD1-CD1 4.07Å; Y129-I132 HydrophobicContact CD1-CG1 4.3Å; Y129-I132 PolarHBondContact O-N 3.2Å; Y129-I132 VanDerWaalsContact O-N 3.11Å
130E81.9Confident91.3Very high173 Ų17347 Ų4781%0.80822%0.217SC*.THydrogen-bonded Turntrans-54.9126.4-178.5-168.6175.4-179.100111.1I132E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.27Å
131G84.9Confident91.3Very high18 Ų1846.4 Ų46.419%0.18621%0.214CC..THydrogen-bonded Turntrans90.6-38.8-178.400000113.9Y129 E134 H135Y129-G131 PolarHBondContact O-N 3.19Å; G131-E134 WeakPolarHBondContact CA-OE2 3.41Å; G131-E134 PolarHBondContact N-OE2 3.49Å; G131-E134 VanDerWaalsContact N-OE2 3.07Å; G131-H135 WeakPolarHBondContact O-CB 3.28Å; G131-H135 PolarHBondContact O-N 3.09Å; G131-H135 VanDerWaalsContact O-N 3.08Å; G131-H135 PolarHBondContact O-ND1 3.31Å
132I89.8Confident91.2Very high0 Ų051.2 Ų51.20%023%0.234CC..Hα-helixtrans-66.7-46.4-177.2-65.9177.5000110.5V68 L69 L72 V126 Y129 E130 E134 H135 L136V68-I132 HydrophobicContact CB-CD1 4.34Å; V68-I132 HydrophobicContact CG1-CD1 3.67Å; V68-I132 HydrophobicContact CG1-CG1 4.31Å; V68-I132 HydrophobicContact CG1-CG2 4.48Å; L69-I132 HydrophobicContact CD2-CD1 4Å; L69-I132 HydrophobicContact CD2-CG1 4.09Å; L72-I132 HydrophobicContact CD2-CG1 4.16Å; V126-I132 WeakPolarHBondContact O-CD1 3.43Å; Y129-I132 HydrophobicContact CD1-CD1 4.07Å; Y129-I132 HydrophobicContact CD1-CG1 4.3Å; Y129-I132 PolarHBondContact O-N 3.2Å; Y129-I132 VanDerWaalsContact O-N 3.11Å; E130-I132 VanDerWaalsContact C-N 3.32Å; E130-I132 PolarHBondContact O-N 3.27Å; I132-E134 PolarHBondContact O-N 3.41Å; I132-H135 PolarHBondContact O-N 3.43Å; I132-L136 VanDerWaalsContact O-CB 3.24Å; I132-L136 WeakPolarHBondContact O-CB 3.49Å; I132-L136 PolarHBondContact O-N 3.44Å
133R90.1Very high91.1Very high105 Ų10552.5 Ų52.540%0.39624%0.241SC..Hα-helixtrans-57.7-52.2179.3-176-17661.4173.4-1.2111.2I127 H135 L136 T137 D179I127-R133 WeakPolarHBondContact O-CA 3.39Å; I127-R133 WeakPolarHBondContact O-CB 3.43Å; I127-R133 PolarHBondContact O-N 3.25Å; R133-H135 PolarHBondContact O-N 3.03Å; R133-L136 PolarHBondContact O-N 2.88Å; R133-T137 PolarHBondContact O-N 3.37Å; R133-T137 PolarHBondContact O-OG1 3.5Å; R133-T137 VanDerWaalsContact O-OG1 3.04Å; R133-D179 VanDerWaalsContact CD-OD1 3.31Å; R133-D179 WeakPolarHBondContact CD-OD1 3.45Å; R133-D179 HydrophobicContact CG-CB 4.45Å
134E90.2Very high91.1Very high85 Ų8550.4 Ų50.440%0.39723%0.233SC..Hα-helixtrans-63.1-41.8-176.2-6672.5-151.200111.8G131 I132 E138G131-E134 WeakPolarHBondContact CA-OE2 3.41Å; G131-E134 PolarHBondContact N-OE2 3.49Å; G131-E134 VanDerWaalsContact N-OE2 3.07Å; I132-E134 PolarHBondContact O-N 3.41Å; E134-E138 WeakPolarHBondContact O-CB 3.31Å; E134-E138 PolarHBondContact O-N 2.79Å
135H91.1Very high91.2Very high72 Ų7249.5 Ų49.533%0.33323%0.234SC..Hα-helixtrans-68.5-42.1177.2-73.876.4000111.8L72 L76 G131 I132 R133 T137 E138 D139L72-H135 HydrophobicContact CD2-CB 3.99Å; L76-H135 HydrophobicContact CD2-CB 3.52Å; G131-H135 WeakPolarHBondContact O-CB 3.28Å; G131-H135 PolarHBondContact O-N 3.09Å; G131-H135 VanDerWaalsContact O-N 3.08Å; G131-H135 PolarHBondContact O-ND1 3.31Å; I132-H135 PolarHBondContact O-N 3.43Å; R133-H135 PolarHBondContact O-N 3.03Å; H135-T137 PolarHBondContact O-N 3.21Å; H135-E138 PolarHBondContact O-N 3.33Å; H135-D139 WeakPolarHBondContact O-CB 3.46Å; H135-D139 VanDerWaalsContact O-CG 3.32Å; H135-D139 PolarHBondContact O-N 3.31Å
136L92.1Very high91.4Very high3 Ų348.2 Ų48.22%0.01623%0.233CC..Hα-helixtrans-58.1-50.9175.7175.361.4000110.8L77 L80 I127 I132 R133 E138 D139 L140 M164 L165L77-L136 HydrophobicContact CD1-CD1 3.42Å; L77-L136 VanDerWaalsContact CD1-CD1 3.42Å; L80-L136 HydrophobicContact CD2-CD1 3.94Å; L80-L136 HydrophobicContact CD2-CD2 3.95Å; L80-L136 HydrophobicContact CD2-CG 4.43Å; I127-L136 HydrophobicContact CD1-CD2 4.17Å; I127-L136 HydrophobicContact CG2-CD2 4.36Å; I132-L136 VanDerWaalsContact O-CB 3.24Å; I132-L136 WeakPolarHBondContact O-CB 3.49Å; I132-L136 PolarHBondContact O-N 3.44Å; R133-L136 PolarHBondContact O-N 2.88Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-E138 PolarHBondContact O-N 2.89Å; L136-D139 PolarHBondContact O-N 3.3Å; L136-L140 HydrophobicContact CD1-CD1 3.95Å; L136-L140 HydrophobicContact CD1-CD2 4.48Å; L136-L140 HydrophobicContact CD1-CG 4.05Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 WeakPolarHBondContact O-CG 3.2Å; L136-L140 PolarHBondContact O-N 3.37Å; L136-M164 HydrophobicContact CD2-CE 4.19Å; L136-L165 HydrophobicContact CD2-CD2 4.16Å
137T93.5Very high91.4Very high21 Ų2152 Ų5213%0.12925%0.249CC..Hα-helixtrans-57.3-49.5177.5-56.80000110.6R133 H135 D139 L140 L141 D179 P183R133-T137 PolarHBondContact O-N 3.37Å; R133-T137 PolarHBondContact O-OG1 3.5Å; R133-T137 VanDerWaalsContact O-OG1 3.04Å; H135-T137 PolarHBondContact O-N 3.21Å; T137-D139 PolarHBondContact O-N 2.88Å; T137-L140 PolarHBondContact O-N 2.87Å; T137-L141 HydrophobicContact CG2-CD1 3.84Å; T137-L141 HydrophobicContact CG2-CG 4.4Å; T137-L141 WeakPolarHBondContact O-CB 3.26Å; T137-L141 WeakPolarHBondContact O-CG 3.46Å; T137-L141 PolarHBondContact O-N 3.49Å; T137-D179 WeakPolarHBondContact CB-O 3.16Å; T137-D179 VanDerWaalsContact CG2-O 3.32Å; T137-D179 WeakPolarHBondContact CG2-O 3.47Å; T137-D179 PolarHBondContact OG1-O 3.35Å; T137-P183 HydrophobicContact CG2-CB 3.78Å; T137-P183 HydrophobicContact CG2-CG 3.88Å
138E92.9Very high91.5Very high72 Ų7253.2 Ų53.234%0.33625%0.253SS..Hα-helixtrans-64.1-40-178-175.560.6-15700112.6E134 H135 L136 L141 K142E134-E138 WeakPolarHBondContact O-CB 3.31Å; E134-E138 PolarHBondContact O-N 2.79Å; H135-E138 PolarHBondContact O-N 3.33Å; L136-E138 VanDerWaalsContact C-N 3.35Å; L136-E138 PolarHBondContact O-N 2.89Å; E138-L141 PolarHBondContact O-N 2.92Å; E138-K142 HydrophobicContact CG-CD 4.24Å; E138-K142 WeakPolarHBondContact O-CB 3.47Å; E138-K142 VanDerWaalsContact O-CG 3.29Å; E138-K142 WeakPolarHBondContact O-CG 3.07Å; E138-K142 PolarHBondContact O-N 3.08Å; E138-K142 VanDerWaalsContact OE1-CE 3.28Å; E138-K142 WeakPolarHBondContact OE1-CE 3.36Å
139D91.3Very high91.6Very high44 Ų4455 Ų5524%0.23527%0.265CS..Hα-helixtrans-65.9-44177.6-75.9-11.4000111.8H135 L136 T137 L141 K142 M143H135-D139 WeakPolarHBondContact O-CB 3.46Å; H135-D139 VanDerWaalsContact O-CG 3.32Å; H135-D139 PolarHBondContact O-N 3.31Å; L136-D139 PolarHBondContact O-N 3.3Å; T137-D139 PolarHBondContact O-N 2.88Å; D139-L141 VanDerWaalsContact C-N 3.31Å; D139-L141 PolarHBondContact O-N 3.49Å; D139-K142 PolarHBondContact O-N 3.5Å; D139-K142 IonicContact OD1-NZ 3.88Å; D139-M143 VanDerWaalsContact O-CG 3.31Å; D139-M143 WeakPolarHBondContact O-CG 3.39Å; D139-M143 PolarHBondContact O-N 2.95Å
140L94Very high91.6Very high0 Ų053.6 Ų53.60%028%0.279CS..Hα-helixtrans-61.2-41.5175-64.6175.2000111.2L77 L136 T137 M143 V144 L158 A161 L165 F180L77-L140 HydrophobicContact CD1-CD2 3.8Å; L77-L140 HydrophobicContact CD2-CD2 4Å; L136-L140 HydrophobicContact CD1-CD1 3.95Å; L136-L140 HydrophobicContact CD1-CD2 4.48Å; L136-L140 HydrophobicContact CD1-CG 4.05Å; L136-L140 HydrophobicContact CG-CD1 4.09Å; L136-L140 WeakPolarHBondContact O-CG 3.2Å; L136-L140 PolarHBondContact O-N 3.37Å; T137-L140 PolarHBondContact O-N 2.87Å; L140-M143 WeakPolarHBondContact O-CB 3.47Å; L140-M143 PolarHBondContact O-N 3.21Å; L140-V144 WeakPolarHBondContact O-CG2 3.26Å; L140-V144 PolarHBondContact O-N 3Å; L140-V144 VanDerWaalsContact O-N 3.13Å; L140-L158 HydrophobicContact CB-CD1 4.19Å; L140-L158 HydrophobicContact CD2-CD1 3.69Å; L140-L158 HydrophobicContact CG-CD1 4.45Å; L140-A161 HydrophobicContact CD1-CB 4.29Å; L140-A161 HydrophobicContact CD2-CB 3.75Å; L140-L165 HydrophobicContact CD1-CD1 4.2Å; L140-F180 HydrophobicContact CB-CD2 3.84Å; L140-F180 HydrophobicContact CB-CE2 3.7Å; L140-F180 HydrophobicContact CD1-CD2 3.76Å; L140-F180 HydrophobicContact CD1-CE2 4.28Å; L140-F180 HydrophobicContact CD1-CG 4.39Å; L140-F180 HydrophobicContact CG-CD2 4.46Å
141L95Very high92Very high18 Ų1852.4 Ų52.49%0.09427%0.268CS..Hα-helixtrans-66.8-40.8177.3-66.9172.8000112.3T137 E138 D139 M143 V144 A145 P183 F184 R187T137-L141 HydrophobicContact CG2-CD1 3.84Å; T137-L141 HydrophobicContact CG2-CG 4.4Å; T137-L141 WeakPolarHBondContact O-CB 3.26Å; T137-L141 WeakPolarHBondContact O-CG 3.46Å; T137-L141 PolarHBondContact O-N 3.49Å; E138-L141 PolarHBondContact O-N 2.92Å; D139-L141 VanDerWaalsContact C-N 3.31Å; D139-L141 PolarHBondContact O-N 3.49Å; L141-M143 VanDerWaalsContact C-N 3.34Å; L141-M143 PolarHBondContact O-N 3.44Å; L141-V144 PolarHBondContact O-N 3.08Å; L141-A145 WeakPolarHBondContact O-CB 3.42Å; L141-A145 PolarHBondContact O-N 3.31Å; L141-P183 HydrophobicContact CD1-CB 3.98Å; L141-F184 VanDerWaalsContact CD2-CA 3.44Å; L141-F184 HydrophobicContact CD2-CB 3.88Å; L141-R187 HydrophobicContact CD1-CG 4.02Å; L141-R187 HydrophobicContact CD2-CB 4.38Å; L141-R187 HydrophobicContact CD2-CG 4.26Å
142K92.8Very high92.1Very high111 Ų11156.7 Ų56.748%0.48330%0.302SS..Hα-helixtrans-61.9-40.5173.9-76.8170.1-177.2159.70111.8E138 D139 V144 A145 A146E138-K142 HydrophobicContact CG-CD 4.24Å; E138-K142 WeakPolarHBondContact O-CB 3.47Å; E138-K142 VanDerWaalsContact O-CG 3.29Å; E138-K142 WeakPolarHBondContact O-CG 3.07Å; E138-K142 PolarHBondContact O-N 3.08Å; E138-K142 VanDerWaalsContact OE1-CE 3.28Å; E138-K142 WeakPolarHBondContact OE1-CE 3.36Å; D139-K142 PolarHBondContact O-N 3.5Å; D139-K142 IonicContact OD1-NZ 3.88Å; K142-V144 VanDerWaalsContact C-N 3.34Å; K142-V144 PolarHBondContact O-N 3.36Å; K142-A145 PolarHBondContact O-N 3.18Å; K142-A146 VanDerWaalsContact O-CB 3.31Å; K142-A146 WeakPolarHBondContact O-CB 3.15Å; K142-A146 PolarHBondContact O-N 3.49Å
143M92.7Very high91.9Very high30 Ų3058.5 Ų58.515%0.14831%0.312CS..Hα-helixtrans-60.2-43.8175.1-75.217976.900111.9L77 D139 L140 L141 K147 V153 N154 N157 L158L77-M143 HydrophobicContact CD2-CE 4.14Å; L77-M143 HydrophobicContact CD2-SD 3.33Å; L77-M143 WeakPolarHBondContact CD2-SD 3.43Å; D139-M143 VanDerWaalsContact O-CG 3.31Å; D139-M143 WeakPolarHBondContact O-CG 3.39Å; D139-M143 PolarHBondContact O-N 2.95Å; L140-M143 WeakPolarHBondContact O-CB 3.47Å; L140-M143 PolarHBondContact O-N 3.21Å; L141-M143 VanDerWaalsContact C-N 3.34Å; L141-M143 PolarHBondContact O-N 3.44Å; M143-K147 WeakPolarHBondContact O-CB 3.23Å; M143-K147 PolarHBondContact O-N 3.31Å; M143-V153 HydrophobicContact CB-CG1 3.77Å; M143-V153 HydrophobicContact CE-CG1 3.43Å; M143-V153 VanDerWaalsContact CE-CG1 3.43Å; M143-V153 HydrophobicContact CG-CG1 3.78Å; M143-V153 HydrophobicContact SD-CG1 4.46Å; M143-N154 WeakPolarHBondContact CE-O 3.26Å; M143-N157 HydrophobicContact CE-CB 4.28Å; M143-L158 HydrophobicContact CE-CB 4.06Å
144V95.3Very high91.7Very high3 Ų357.7 Ų57.72%0.01832%0.316CS..Hα-helixtrans-63-46.7174.7172.90000111L140 L141 K142 A146 K147 R148 L158 F184 F222 M227L140-V144 WeakPolarHBondContact O-CG2 3.26Å; L140-V144 PolarHBondContact O-N 3Å; L140-V144 VanDerWaalsContact O-N 3.13Å; L141-V144 PolarHBondContact O-N 3.08Å; K142-V144 VanDerWaalsContact C-N 3.34Å; K142-V144 PolarHBondContact O-N 3.36Å; V144-A146 PolarHBondContact O-N 3.09Å; V144-K147 PolarHBondContact O-N 3.15Å; V144-R148 WeakPolarHBondContact O-CG 3.44Å; V144-R148 PolarHBondContact O-N 2.94Å; V144-L158 HydrophobicContact CG2-CD2 4.22Å; V144-F184 HydrophobicContact CG1-CD2 4.27Å; V144-F184 HydrophobicContact CG1-CE2 3.89Å; V144-F184 HydrophobicContact CG2-CD2 4.43Å; V144-F184 HydrophobicContact CG2-CE2 4.47Å; V144-F222 HydrophobicContact CB-CE1 4.43Å; V144-F222 HydrophobicContact CG1-CE1 4.01Å; V144-F222 HydrophobicContact CG2-CE1 3.94Å; V144-F222 HydrophobicContact CG2-CZ 4.06Å; V144-M227 HydrophobicContact CG2-CE 4.01Å
145A94.7Very high91.7Very high42 Ų4254.5 Ų54.535%0.34730%0.302SS..Hα-helixtrans-60.8-44179.100000112.1L141 K142 K147 R148 Q149L141-A145 WeakPolarHBondContact O-CB 3.42Å; L141-A145 PolarHBondContact O-N 3.31Å; K142-A145 PolarHBondContact O-N 3.18Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 3.37Å; A145-R148 PolarHBondContact O-N 2.94Å; A145-Q149 WeakPolarHBondContact O-CG 3.28Å; A145-Q149 PolarHBondContact O-N 3.43Å; A145-Q149 VanDerWaalsContact O-N 3.15Å
146A93.4Very high91.7Very high26 Ų2655.5 Ų55.522%0.21531%0.313CS..Hα-helixtrans-62.5-41.6176.100000111.4K142 V144 R148 Q149 G150 Y151 V153K142-A146 VanDerWaalsContact O-CB 3.31Å; K142-A146 WeakPolarHBondContact O-CB 3.15Å; K142-A146 PolarHBondContact O-N 3.49Å; V144-A146 PolarHBondContact O-N 3.09Å; A146-R148 PolarHBondContact O-N 3.48Å; A146-Q149 PolarHBondContact O-N 2.9Å; A146-G150 PolarHBondContact O-N 2.93Å; A146-Y151 HydrophobicContact CB-CD2 4.27Å; A146-Y151 WeakPolarHBondContact O-CB 3.07Å; A146-Y151 WeakPolarHBondContact O-CD2 3.22Å; A146-Y151 PolarHBondContact O-N 3.4Å; A146-V153 HydrophobicContact CB-CG2 3.73Å
147K93.6Very high91.6Very high84 Ų8456.9 Ų56.937%0.36532%0.32SS..Hα-helixtrans-63.6-39.1176.5176.762.2-165.183.10112.8M143 V144 A145 Q149 G150 V153 L155 F222M143-K147 WeakPolarHBondContact O-CB 3.23Å; M143-K147 PolarHBondContact O-N 3.31Å; V144-K147 PolarHBondContact O-N 3.15Å; A145-K147 VanDerWaalsContact C-N 3.34Å; A145-K147 PolarHBondContact O-N 3.37Å; K147-Q149 VanDerWaalsContact C-N 3.27Å; K147-Q149 PolarHBondContact O-N 3.24Å; K147-G150 PolarHBondContact O-N 3.47Å; K147-G150 VanDerWaalsContact O-N 3.16Å; K147-V153 HydrophobicContact CB-CG2 4.38Å; K147-L155 HydrophobicContact CB-CD2 4.43Å; K147-L155 HydrophobicContact CD-CD1 4.14Å; K147-L155 HydrophobicContact CD-CD2 4.49Å; K147-L155 HydrophobicContact CG-CD2 4.36Å; K147-F222 HydrophobicContact CG-CD2 4.3Å; K147-F222 HydrophobicContact CG-CE2 3.94Å; K147-F222 HydrophobicContact CG-CZ 4.37Å
148R94.3Very high91.5Very high27 Ų2755.9 Ų55.910%0.10231%0.314CS..Hα-helixtrans-65.2-30.4175.8-75.8174.3171.3157.93112.6V144 A145 A146 G150 S188 F191 E219V144-R148 WeakPolarHBondContact O-CG 3.44Å; V144-R148 PolarHBondContact O-N 2.94Å; A145-R148 PolarHBondContact O-N 2.94Å; A146-R148 PolarHBondContact O-N 3.48Å; R148-G150 VanDerWaalsContact C-N 3.27Å; R148-S188 PolarHBondContact NH1-OG 2.88Å; R148-S188 PolarHBondContact NH2-OG 3.24Å; R148-F191 HydrophobicContact CB-CE1 4.43Å; R148-F191 HydrophobicContact CB-CE2 4.16Å; R148-F191 HydrophobicContact CB-CZ 3.92Å; R148-F191 HydrophobicContact CG-CE1 4.36Å; R148-F191 HydrophobicContact CG-CZ 4.34Å; R148-E219 IonicContact CZ-OE1 3.51Å; R148-E219 IonicContact CZ-OE2 2.6Å; R148-E219 IonicContact NE-OE1 2.87Å; R148-E219 PolarHBondContact NE-OE1 3.34Å; R148-E219 IonicContact NE-OE2 3.29Å; R148-E219 IonicContact NH2-OE1 2.68Å; R148-E219 PolarHBondContact NH2-OE1 3.26Å; R148-E219 IonicContact NH2-OE2 3.03Å; R148-E219 PolarHBondContact NH2-OE2 3.04Å
149Q90.9Very high91.6Very high130 Ų13056.4 Ų56.461%0.60732%0.315SS*.THydrogen-bonded Turntrans-82.6-1.6175.3-68173.31.800113.5A145 A146 K147 Y151A145-Q149 WeakPolarHBondContact O-CG 3.28Å; A145-Q149 PolarHBondContact O-N 3.43Å; A145-Q149 VanDerWaalsContact O-N 3.15Å; A146-Q149 PolarHBondContact O-N 2.9Å; K147-Q149 VanDerWaalsContact C-N 3.27Å; K147-Q149 PolarHBondContact O-N 3.24Å; Q149-Y151 HydrophobicContact CB-CD2 3.68Å; Q149-Y151 HydrophobicContact CB-CE2 3.64Å; Q149-Y151 VanDerWaalsContact OE1-CE2 3.28Å
150G89.2Confident91.8Very high62 Ų6256.2 Ų56.264%0.63932%0.315SS*.THydrogen-bonded Turntrans87.67177.600000114.9A146 K147 R148A146-G150 PolarHBondContact O-N 2.93Å; K147-G150 PolarHBondContact O-N 3.47Å; K147-G150 VanDerWaalsContact O-N 3.16Å; R148-G150 VanDerWaalsContact C-N 3.27Å
151Y91Very high91.8Very high148 Ų14856.2 Ų56.258%0.5832%0.315SS*.  trans-71150.1174.7-62.6-70000111.6A146 Q149 V153A146-Y151 HydrophobicContact CB-CD2 4.27Å; A146-Y151 WeakPolarHBondContact O-CB 3.07Å; A146-Y151 WeakPolarHBondContact O-CD2 3.22Å; A146-Y151 PolarHBondContact O-N 3.4Å; Q149-Y151 HydrophobicContact CB-CD2 3.68Å; Q149-Y151 HydrophobicContact CB-CE2 3.64Å; Q149-Y151 VanDerWaalsContact OE1-CE2 3.28Å; Y151-V153 PolarHBondContact O-N 3.44Å
152A85.7Confident91.8Very high108 Ų10855.5 Ų55.589%0.89331%0.312SS*.  trans-73.3123172.700000109.6
153V86.9Confident91.9Very high37 Ų3755.5 Ų55.522%0.22431%0.314CS..  trans-133.1140.5-177.5-175.70000108.6M143 A146 K147 Y151 L155M143-V153 HydrophobicContact CB-CG1 3.77Å; M143-V153 HydrophobicContact CE-CG1 3.43Å; M143-V153 VanDerWaalsContact CE-CG1 3.43Å; M143-V153 HydrophobicContact CG-CG1 3.78Å; M143-V153 HydrophobicContact SD-CG1 4.46Å; A146-V153 HydrophobicContact CB-CG2 3.73Å; K147-V153 HydrophobicContact CB-CG2 4.38Å; Y151-V153 PolarHBondContact O-N 3.44Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 HydrophobicContact CB-CD2 4.12Å; V153-L155 HydrophobicContact CG1-CD2 4.15Å; V153-L155 PolarHBondContact O-N 2.88Å
154N85.2Confident92Very high88 Ų8854.1 Ų54.147%0.47131%0.307SS..  trans-7584174.8-172.9-7.6000110.8M143 V156 N157M143-N154 WeakPolarHBondContact CE-O 3.26Å; N154-V156 PolarHBondContact O-N 2.77Å; N154-V156 VanDerWaalsContact O-N 3.15Å; N154-V156 WeakPolarHBondContact OD1-CB 3.46Å; N154-V156 PolarHBondContact OD1-N 2.7Å; N154-N157 PolarHBondContact O-N 2.85Å; N154-N157 VanDerWaalsContact O-N 3.13Å
155L89.8Confident92.1Very high19 Ų1954 Ų5410%0.09931%0.306CS..Hα-helixtrans-66.8-12.8-177.1-59.3-179.2000114K147 V153 N157 L158 K159 F222 Y226K147-L155 HydrophobicContact CB-CD2 4.43Å; K147-L155 HydrophobicContact CD-CD1 4.14Å; K147-L155 HydrophobicContact CD-CD2 4.49Å; K147-L155 HydrophobicContact CG-CD2 4.36Å; V153-L155 VanDerWaalsContact C-N 3.31Å; V153-L155 HydrophobicContact CB-CD2 4.12Å; V153-L155 HydrophobicContact CG1-CD2 4.15Å; V153-L155 PolarHBondContact O-N 2.88Å; L155-N157 VanDerWaalsContact C-N 3.33Å; L155-L158 HydrophobicContact CD2-CD2 4.32Å; L155-K159 PolarHBondContact O-N 3.48Å; L155-K159 VanDerWaalsContact O-N 3.1Å; L155-F222 HydrophobicContact CD1-CD2 4.41Å; L155-F222 HydrophobicContact CD1-CE2 3.98Å; L155-F222 HydrophobicContact CD2-CE2 3.74Å; L155-F222 HydrophobicContact CD2-CZ 4.29Å; L155-F222 HydrophobicContact CG-CE2 4.46Å; L155-Y226 HydrophobicContact CB-CD1 3.6Å; L155-Y226 HydrophobicContact CB-CE1 3.35Å; L155-Y226 HydrophobicContact CB-CE2 4.46Å; L155-Y226 HydrophobicContact CB-CG 4.26Å; L155-Y226 HydrophobicContact CD1-CD1 4.44Å; L155-Y226 HydrophobicContact CD1-CD2 4.13Å; L155-Y226 HydrophobicContact CD1-CE1 3.91Å; L155-Y226 HydrophobicContact CD1-CE2 3.57Å; L155-Y226 VanDerWaalsContact CD1-CZ 3.43Å; L155-Y226 HydrophobicContact CG-CE1 4.28Å
156V90.9Very high92.1Very high93 Ų9354.4 Ų54.456%0.56430%0.302SS*.Hα-helixtrans-65.6-41.4172.4-178.50000109.8N154 L158 K159 T160N154-V156 PolarHBondContact O-N 2.77Å; N154-V156 VanDerWaalsContact O-N 3.15Å; N154-V156 WeakPolarHBondContact OD1-CB 3.46Å; N154-V156 PolarHBondContact OD1-N 2.7Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 2.77Å; V156-K159 PolarHBondContact O-N 3.19Å; V156-K159 VanDerWaalsContact O-N 3.17Å; V156-T160 PolarHBondContact O-N 3.45Å; V156-T160 PolarHBondContact O-OG1 2.88Å
157N90.3Very high92.2Very high31 Ų3154.9 Ų54.917%0.16631%0.305CS..Hα-helixtrans-64.2-39.6179.5-68.2-5.5000112L77 N81 M143 N154 L155 A161L77-N157 HydrophobicContact CD2-CB 3.59Å; L77-N157 HydrophobicContact CG-CB 4.14Å; N81-N157 PolarHBondContact ND2-O 3.04Å; M143-N157 HydrophobicContact CE-CB 4.28Å; N154-N157 PolarHBondContact O-N 2.85Å; N154-N157 VanDerWaalsContact O-N 3.13Å; L155-N157 VanDerWaalsContact C-N 3.33Å; N157-A161 WeakPolarHBondContact O-CB 3.49Å; N157-A161 PolarHBondContact O-N 2.86Å
158L92.4Very high92.3Very high0 Ų050.9 Ų50.90%029%0.288CS..Hα-helixtrans-59.6-47.3172.917366.2000111L140 M143 V144 L155 V156 A161 C162 F180 F222L140-L158 HydrophobicContact CB-CD1 4.19Å; L140-L158 HydrophobicContact CD2-CD1 3.69Å; L140-L158 HydrophobicContact CG-CD1 4.45Å; M143-L158 HydrophobicContact CE-CB 4.06Å; V144-L158 HydrophobicContact CG2-CD2 4.22Å; L155-L158 HydrophobicContact CD2-CD2 4.32Å; V156-L158 VanDerWaalsContact C-N 3.34Å; V156-L158 PolarHBondContact O-N 2.77Å; L158-A161 PolarHBondContact O-N 2.93Å; L158-C162 PolarHBondContact O-N 2.92Å; L158-C162 PolarHBondContact O-SG 2.85Å; L158-F180 HydrophobicContact CD1-CE2 4.31Å; L158-F180 HydrophobicContact CD1-CZ 4.18Å; L158-F222 HydrophobicContact CD2-CE1 4.47Å; L158-F222 HydrophobicContact CD2-CE2 4.16Å; L158-F222 HydrophobicContact CD2-CZ 3.58Å
159K94.7Very high92.2Very high84 Ų8449.9 Ų49.937%0.36529%0.286SS..Hα-helixtrans-63-46.5-179.8-177.4174.3-177.4162.80111.9L155 V156 A161 C162 Q163 H225 Y226L155-K159 PolarHBondContact O-N 3.48Å; L155-K159 VanDerWaalsContact O-N 3.1Å; V156-K159 PolarHBondContact O-N 3.19Å; V156-K159 VanDerWaalsContact O-N 3.17Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 3.27Å; K159-C162 PolarHBondContact O-N 2.9Å; K159-Q163 VanDerWaalsContact O-CG 3.3Å; K159-Q163 WeakPolarHBondContact O-CG 3.46Å; K159-Q163 PolarHBondContact O-N 3.11Å; K159-H225 PolarHBondContact NZ-O 3.35Å; K159-Y226 HydrophobicContact CB-CD1 4.35Å
160T94.5Very high92.2Very high39 Ų3944.7 Ų44.724%0.23926%0.263CS..Hα-helixtrans-61.2-43.3178.4-55.10000111N81 V156 Q163 M164N81-T160 HydrophobicContact CB-CG2 4.22Å; N81-T160 WeakPolarHBondContact OD1-CG2 3.45Å; V156-T160 PolarHBondContact O-N 3.45Å; V156-T160 PolarHBondContact O-OG1 2.88Å; T160-Q163 PolarHBondContact O-N 3.4Å; T160-M164 WeakPolarHBondContact O-CB 3.47Å; T160-M164 PolarHBondContact O-N 3.17Å
161A94Very high92.1Very high0 Ų049.6 Ų49.60%028%0.275CS..Hα-helixtrans-65.2-41.5176.800000112.4L77 L140 N157 L158 K159 Q163 M164 L165L77-A161 HydrophobicContact CD1-CB 3.78Å; L140-A161 HydrophobicContact CD1-CB 4.29Å; L140-A161 HydrophobicContact CD2-CB 3.75Å; N157-A161 WeakPolarHBondContact O-CB 3.49Å; N157-A161 PolarHBondContact O-N 2.86Å; L158-A161 PolarHBondContact O-N 2.93Å; K159-A161 VanDerWaalsContact C-N 3.33Å; K159-A161 PolarHBondContact O-N 3.27Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 2.89Å; A161-M164 WeakPolarHBondContact O-CB 3.44Å; A161-M164 PolarHBondContact O-N 3.45Å; A161-L165 WeakPolarHBondContact O-CG 3.3Å; A161-L165 PolarHBondContact O-N 3.29Å
162C95.2Very high92.2Very high4 Ų445 Ų453%0.02726%0.264CS..Hα-helixtrans-60.5-42.9173.7-69.20000111.6L158 K159 L165 M166 Y176L158-C162 PolarHBondContact O-N 2.92Å; L158-C162 PolarHBondContact O-SG 2.85Å; K159-C162 PolarHBondContact O-N 2.9Å; C162-L165 PolarHBondContact O-N 3.29Å; C162-M166 WeakPolarHBondContact O-CB 3.49Å; C162-M166 VanDerWaalsContact O-CG 3.26Å; C162-M166 WeakPolarHBondContact O-CG 3.39Å; C162-M166 PolarHBondContact O-N 3.4Å; C162-Y176 HydrophobicContact CB-CD2 4.42Å; C162-Y176 HydrophobicContact CB-CE2 3.86Å
163Q95.3Very high92.6Very high111 Ų11141.2 Ų41.252%0.51923%0.227SC..Hα-helixtrans-65.2-39.7177-72.4174.4-21.800112.2K159 T160 A161 M166 A167K159-Q163 VanDerWaalsContact O-CG 3.3Å; K159-Q163 WeakPolarHBondContact O-CG 3.46Å; K159-Q163 PolarHBondContact O-N 3.11Å; T160-Q163 PolarHBondContact O-N 3.4Å; A161-Q163 VanDerWaalsContact C-N 3.33Å; A161-Q163 PolarHBondContact O-N 2.89Å; Q163-M166 PolarHBondContact O-N 3.38Å; Q163-A167 WeakPolarHBondContact O-CB 3.37Å; Q163-A167 PolarHBondContact O-N 2.91Å
164M95.6Very high93Very high0 Ų042.1 Ų42.10%023%0.232CC..Hα-helixtrans-59.9-55.1172.8173.5-176.67100110.6L80 W84 F122 I127 L136 T160 A161 M166 A167 L168L80-M164 HydrophobicContact CD2-CE 3.9Å; L80-M164 HydrophobicContact CG-CE 4.21Å; L80-M164 HydrophobicContact CG-SD 4.44Å; W84-M164 HydrophobicContact CB-CG 4.44Å; W84-M164 HydrophobicContact CB-SD 3.68Å; W84-M164 HydrophobicContact CD2-CB 4.1Å; W84-M164 HydrophobicContact CD2-CG 3.53Å; W84-M164 HydrophobicContact CD2-SD 3.94Å; W84-M164 HydrophobicContact CE3-CG 3.9Å; W84-M164 HydrophobicContact CE3-SD 4.28Å; W84-M164 HydrophobicContact CG-CB 4.13Å; W84-M164 HydrophobicContact CG-CG 3.78Å; W84-M164 HydrophobicContact CG-SD 3.67Å; W84-M164 HydrophobicContact CH2-CG 4.42Å; W84-M164 HydrophobicContact CZ2-CB 4.28Å; W84-M164 HydrophobicContact CZ2-CG 4.14Å; W84-M164 HydrophobicContact CZ3-CG 4.34Å; F122-M164 HydrophobicContact CE1-SD 3.86Å; I127-M164 HydrophobicContact CD1-CE 3.6Å; I127-M164 HydrophobicContact CD1-SD 4.04Å; I127-M164 HydrophobicContact CG1-CE 4.45Å; L136-M164 HydrophobicContact CD2-CE 4.19Å; T160-M164 WeakPolarHBondContact O-CB 3.47Å; T160-M164 PolarHBondContact O-N 3.17Å; A161-M164 WeakPolarHBondContact O-CB 3.44Å; A161-M164 PolarHBondContact O-N 3.45Å; M164-M166 PolarHBondContact O-N 3.38Å; M164-A167 WeakPolarHBondContact O-CB 3.29Å; M164-A167 PolarHBondContact O-N 2.95Å; M164-L168 HydrophobicContact CG-CD1 3.82Å; M164-L168 HydrophobicContact CG-CG 4.26Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.47Å; M164-L168 PolarHBondContact O-N 3.33Å
165L95.8Very high93.4Very high1 Ų137.9 Ų37.91%0.00521%0.21CC..Hα-helixtrans-57.7-35.6179.9-68.6173.6000112.4I127 L136 L140 A161 C162 V175 Y176 D179 F180I127-L165 HydrophobicContact CG2-CD2 4.08Å; L136-L165 HydrophobicContact CD2-CD2 4.16Å; L140-L165 HydrophobicContact CD1-CD1 4.2Å; A161-L165 WeakPolarHBondContact O-CG 3.3Å; A161-L165 PolarHBondContact O-N 3.29Å; C162-L165 PolarHBondContact O-N 3.29Å; L165-V175 HydrophobicContact CD2-CG1 3.99Å; L165-V175 WeakPolarHBondContact O-CB 3.45Å; L165-Y176 HydrophobicContact CB-CD2 4.17Å; L165-Y176 PolarHBondContact O-N 2.76Å; L165-D179 HydrophobicContact CD2-CB 4.46Å; L165-F180 HydrophobicContact CD1-CB 3.82Å
166M95.4Very high93.8Very high51 Ų5137 Ų3725%0.25121%0.205SC..Hα-helixtrans-65.6-44.4172.7-75.2-71.7-65.800112.4C162 Q163 M164 L168 G169 R173 Y176 D228C162-M166 WeakPolarHBondContact O-CB 3.49Å; C162-M166 VanDerWaalsContact O-CG 3.26Å; C162-M166 WeakPolarHBondContact O-CG 3.39Å; C162-M166 PolarHBondContact O-N 3.4Å; Q163-M166 PolarHBondContact O-N 3.38Å; M164-M166 PolarHBondContact O-N 3.38Å; M166-L168 VanDerWaalsContact C-N 3.35Å; M166-L168 PolarHBondContact O-N 3.49Å; M166-G169 PolarHBondContact O-N 3.24Å; M166-R173 HydrophobicContact CE-CG 3.85Å; M166-R173 HydrophobicContact SD-CB 4.32Å; M166-R173 HydrophobicContact SD-CG 4.08Å; M166-Y176 HydrophobicContact CG-CD1 4.37Å; M166-Y176 HydrophobicContact CG-CD2 3.86Å; M166-Y176 HydrophobicContact CG-CG 3.76Å; M166-Y176 VanDerWaalsContact SD-CB 3.52Å; M166-Y176 HydrophobicContact SD-CD1 3.6Å; M166-Y176 HydrophobicContact SD-CD2 4.18Å; M166-Y176 HydrophobicContact SD-CE1 4.37Å; M166-Y176 HydrophobicContact SD-CG 3.49Å; M166-D228 HydrophobicContact CE-CB 4.26Å; M166-D228 HydrophobicContact SD-CB 4.13Å
167A95.6Very high94Very high36 Ų3635.2 Ų35.230%0.29819%0.19SC..Hα-helixtrans-65.2-38.2179.500000112.4W84 L119 Q163 M164 G169 V170W84-A167 HydrophobicContact CH2-CB 3.93Å; W84-A167 HydrophobicContact CZ2-CB 3.81Å; L119-A167 WeakPolarHBondContact CD1-O 3.41Å; Q163-A167 WeakPolarHBondContact O-CB 3.37Å; Q163-A167 PolarHBondContact O-N 2.91Å; M164-A167 WeakPolarHBondContact O-CB 3.29Å; M164-A167 PolarHBondContact O-N 2.95Å; A167-G169 PolarHBondContact O-N 3.03Å; A167-V170 PolarHBondContact O-N 3.44Å; A167-V170 VanDerWaalsContact O-N 3.16Å
168L96.1Very high94.3Very high0 Ų038.8 Ų38.80%021%0.206CC..Hα-helixtrans-65.3-17.3180-66.9173.6000113.9W84 L119 F122 R123 I127 M164 M166 V170 V175W84-L168 HydrophobicContact CE3-CD2 4.5Å; W84-L168 HydrophobicContact CH2-CD2 4.05Å; W84-L168 HydrophobicContact CH2-CG 4.39Å; W84-L168 HydrophobicContact CZ3-CD2 3.64Å; W84-L168 HydrophobicContact CZ3-CG 4.31Å; L119-L168 HydrophobicContact CB-CD2 4.47Å; L119-L168 WeakPolarHBondContact O-CD2 3.5Å; F122-L168 HydrophobicContact CB-CD2 4.11Å; F122-L168 HydrophobicContact CD1-CD1 4.35Å; F122-L168 HydrophobicContact CD1-CD2 3.91Å; F122-L168 HydrophobicContact CG-CD2 4.46Å; R123-L168 HydrophobicContact CB-CB 4.17Å; R123-L168 HydrophobicContact CB-CD2 4.03Å; R123-L168 HydrophobicContact CB-CG 4.47Å; R123-L168 HydrophobicContact CG-CB 4.34Å; I127-L168 HydrophobicContact CB-CD1 4.3Å; I127-L168 HydrophobicContact CG1-CD1 3.53Å; M164-L168 HydrophobicContact CG-CD1 3.82Å; M164-L168 HydrophobicContact CG-CG 4.26Å; M164-L168 VanDerWaalsContact O-CG 3.26Å; M164-L168 WeakPolarHBondContact O-CG 3.47Å; M164-L168 PolarHBondContact O-N 3.33Å; M166-L168 VanDerWaalsContact C-N 3.35Å; M166-L168 PolarHBondContact O-N 3.49Å; L168-V170 VanDerWaalsContact C-N 3.27Å; L168-V170 PolarHBondContact O-N 3.1Å; L168-V175 HydrophobicContact CB-CB 4.42Å; L168-V175 HydrophobicContact CB-CG1 4.02Å; L168-V175 HydrophobicContact CB-CG2 4.45Å
169G92.6Very high94.3Very high6 Ų639.1 Ų39.16%0.06221%0.208CC..THydrogen-bonded Turntrans-72.1-15.1174.900000114.7M166 A167 S172M166-G169 PolarHBondContact O-N 3.24Å; A167-G169 PolarHBondContact O-N 3.03Å; G169-S172 WeakPolarHBondContact CA-O 3.47Å; G169-S172 WeakPolarHBondContact O-CB 3.44Å; G169-S172 PolarHBondContact O-N 2.99Å
170V90.1Very high94.4Very high21 Ų2135.1 Ų35.113%0.12719%0.191CC..SBendtrans41.594.7-177.4-174.80000112.9N116 L119 I120 A167 L168 S172N116-V170 HydrophobicContact CB-CG1 4.06Å; N116-V170 HydrophobicContact CB-CG2 4.49Å; N116-V170 WeakPolarHBondContact ND2-CG1 3.46Å; L119-V170 HydrophobicContact CB-CG2 4.08Å; L119-V170 HydrophobicContact CD1-CG2 4.3Å; I120-V170 HydrophobicContact CD1-CG2 4.47Å; I120-V170 HydrophobicContact CG1-CG2 4.05Å; A167-V170 PolarHBondContact O-N 3.44Å; A167-V170 VanDerWaalsContact O-N 3.16Å; L168-V170 VanDerWaalsContact C-N 3.27Å; L168-V170 PolarHBondContact O-N 3.1Å; V170-S172 PolarHBondContact O-N 3.15Å; V170-S172 VanDerWaalsContact O-N 3.12Å
171N87.7Confident94.5Very high165 Ų16533.4 Ų33.488%0.88218%0.18SC*.SBendtrans60.711.7-174.5-51-51.3000114.6
172S93.1Very high94.7Very high50 Ų5036.9 Ų36.935%0.3520%0.201SC..SBendtrans-138.3160.4178.1-177.40000111.4G169 V170 T174G169-S172 WeakPolarHBondContact CA-O 3.47Å; G169-S172 WeakPolarHBondContact O-CB 3.44Å; G169-S172 PolarHBondContact O-N 2.99Å; V170-S172 PolarHBondContact O-N 3.15Å; V170-S172 VanDerWaalsContact O-N 3.12Å; S172-T174 VanDerWaalsContact OG-CG2 3.25Å; S172-T174 WeakPolarHBondContact OG-CG2 3.48Å; S172-T174 PolarHBondContact OG-N 2.69Å; S172-T174 PolarHBondContact OG-OG1 2.81Å
173R93.6Very high94.8Very high30 Ų3038.2 Ų38.211%0.11321%0.21CC..SBendtrans-95.6-1.7173.1-60.4179.473.5-128.72112.9M166 V175 Y176 E177 E181 D228M166-R173 HydrophobicContact CE-CG 3.85Å; M166-R173 HydrophobicContact SD-CB 4.32Å; M166-R173 HydrophobicContact SD-CG 4.08Å; R173-V175 VanDerWaalsContact C-N 3.33Å; R173-V175 PolarHBondContact O-N 3.37Å; R173-Y176 WeakPolarHBondContact O-CB 3.3Å; R173-Y176 PolarHBondContact O-N 3.24Å; R173-Y176 VanDerWaalsContact O-N 3.07Å; R173-E177 HydrophobicContact CB-CG 3.87Å; R173-E177 IonicContact CZ-OE1 3.83Å; R173-E177 IonicContact NH1-OE1 2.97Å; R173-E177 PolarHBondContact NH1-OE1 3.17Å; R173-E177 WeakPolarHBondContact O-CG 3.38Å; R173-E177 PolarHBondContact O-N 3.41Å; R173-E181 IonicContact CZ-OE1 3.83Å; R173-E181 IonicContact NH1-OE1 3.72Å; R173-E181 PolarHBondContact NH1-OE1 2.75Å; R173-E181 IonicContact NH1-OE2 2.75Å; R173-E181 IonicContact NH2-OE1 2.85Å; R173-E181 PolarHBondContact NH2-OE1 2.65Å; R173-D228 IonicContact CZ-OD1 3.37Å; R173-D228 IonicContact NE-OD1 3.21Å; R173-D228 PolarHBondContact NE-OD1 3.39Å; R173-D228 IonicContact NH2-OD1 3.6Å; R173-D228 PolarHBondContact NH2-OD1 2.91Å
174T94.4Very high95Very high55 Ų5533 Ų3334%0.33719%0.185SC..Hα-helixtrans-53.3-44.6-167.843.30000113.8S172 E177 E178S172-T174 VanDerWaalsContact OG-CG2 3.25Å; S172-T174 WeakPolarHBondContact OG-CG2 3.48Å; S172-T174 PolarHBondContact OG-N 2.69Å; S172-T174 PolarHBondContact OG-OG1 2.81Å; T174-E177 PolarHBondContact O-N 2.68Å; T174-E178 VanDerWaalsContact O-CB 3.28Å; T174-E178 WeakPolarHBondContact O-CB 3.4Å; T174-E178 VanDerWaalsContact O-CG 3.24Å; T174-E178 WeakPolarHBondContact O-CG 3.2Å; T174-E178 PolarHBondContact O-N 3.1Å
175V95.1Very high95.1Very high0 Ų034.3 Ų34.30%019%0.192CC..Hα-helixtrans-63.8-46.4179.4178.40000111.4R123 L165 L168 R173 E177 D179R123-V175 VanDerWaalsContact CD-CG2 3.45Å; R123-V175 HydrophobicContact CG-CG2 4.14Å; L165-V175 HydrophobicContact CD2-CG1 3.99Å; L165-V175 WeakPolarHBondContact O-CB 3.45Å; L168-V175 HydrophobicContact CB-CB 4.42Å; L168-V175 HydrophobicContact CB-CG1 4.02Å; L168-V175 HydrophobicContact CB-CG2 4.45Å; R173-V175 VanDerWaalsContact C-N 3.33Å; R173-V175 PolarHBondContact O-N 3.37Å; V175-E177 VanDerWaalsContact C-N 3.35Å; V175-E177 PolarHBondContact O-N 3.47Å; V175-D179 VanDerWaalsContact O-CB 3.26Å; V175-D179 WeakPolarHBondContact O-CB 3.36Å; V175-D179 PolarHBondContact O-N 3.49Å
176Y96.9Very high95.2Very high0 Ų039.5 Ų39.50%022%0.219CC..Hα-helixtrans-62.7-40.6174.1173.8-97.2000112.7C162 L165 M166 R173 F180 E181 D228 T231C162-Y176 HydrophobicContact CB-CD2 4.42Å; C162-Y176 HydrophobicContact CB-CE2 3.86Å; L165-Y176 HydrophobicContact CB-CD2 4.17Å; L165-Y176 PolarHBondContact O-N 2.76Å; M166-Y176 HydrophobicContact CG-CD1 4.37Å; M166-Y176 HydrophobicContact CG-CD2 3.86Å; M166-Y176 HydrophobicContact CG-CG 3.76Å; M166-Y176 VanDerWaalsContact SD-CB 3.52Å; M166-Y176 HydrophobicContact SD-CD1 3.6Å; M166-Y176 HydrophobicContact SD-CD2 4.18Å; M166-Y176 HydrophobicContact SD-CE1 4.37Å; M166-Y176 HydrophobicContact SD-CG 3.49Å; R173-Y176 WeakPolarHBondContact O-CB 3.3Å; R173-Y176 PolarHBondContact O-N 3.24Å; R173-Y176 VanDerWaalsContact O-N 3.07Å; Y176-F180 HydrophobicContact CD2-CD1 4.21Å; Y176-F180 AromaticContact CE2-CD1 3.45Å; Y176-F180 HydrophobicContact CE2-CD1 3.45Å; Y176-F180 VanDerWaalsContact CE2-CD1 3.45Å; Y176-F180 HydrophobicContact CE2-CE1 4.06Å; Y176-F180 HydrophobicContact CE2-CG 4.41Å; Y176-F180 AromaticContact CZ-CD1 3.74Å; Y176-F180 PolarHBondContact O-N 3.3Å; Y176-F180 VanDerWaalsContact O-N 3.14Å; Y176-E181 HydrophobicContact CD1-CB 4.1Å; Y176-E181 HydrophobicContact CE1-CB 3.75Å; Y176-E181 HydrophobicContact CE1-CG 3.85Å; Y176-E181 PolarHBondContact O-N 3.08Å; Y176-D228 HydrophobicContact CE1-CB 3.94Å; Y176-T231 WeakPolarHBondContact CE1-OG1 3.33Å; Y176-T231 PolarHBondContact OH-OG1 3.1Å
177E96.5Very high95.3Very high55 Ų5542.7 Ų42.726%0.25723%0.229SC..Iπ-helixtrans-67.8-49.5-178.8-71-179150.100111.8R173 T174 V175 E181 V182 K234R173-E177 HydrophobicContact CB-CG 3.87Å; R173-E177 IonicContact CZ-OE1 3.83Å; R173-E177 IonicContact NH1-OE1 2.97Å; R173-E177 PolarHBondContact NH1-OE1 3.17Å; R173-E177 WeakPolarHBondContact O-CG 3.38Å; R173-E177 PolarHBondContact O-N 3.41Å; T174-E177 PolarHBondContact O-N 2.68Å; V175-E177 VanDerWaalsContact C-N 3.35Å; V175-E177 PolarHBondContact O-N 3.47Å; E177-E181 PolarHBondContact O-N 3.39Å; E177-V182 WeakPolarHBondContact O-CB 3.19Å; E177-V182 WeakPolarHBondContact O-CG2 3.49Å; E177-V182 PolarHBondContact O-N 2.89Å; E177-K234 IonicContact OE1-NZ 3.67Å; E177-K234 PolarHBondContact OE1-NZ 2.97Å
178E95.1Very high95.4Very high106 Ų10641 Ų4150%0.49522%0.215SC..Iπ-helixtrans-68.2-49.2-178.5-70.4168.8-173.400111.9R128 T174R128-E178 IonicContact NH2-OE2 3.83Å; R128-E178 PolarHBondContact NH2-OE2 3.1Å; T174-E178 VanDerWaalsContact O-CB 3.28Å; T174-E178 WeakPolarHBondContact O-CB 3.4Å; T174-E178 VanDerWaalsContact O-CG 3.24Å; T174-E178 WeakPolarHBondContact O-CG 3.2Å; T174-E178 PolarHBondContact O-N 3.1Å
179D93.4Very high95.5Very high8 Ų842 Ų424%0.04322%0.223CC..Iπ-helixtrans-89.1-15.5-168.1-58.8-25.1000112.5R133 T137 L165 V175R133-D179 VanDerWaalsContact CD-OD1 3.31Å; R133-D179 WeakPolarHBondContact CD-OD1 3.45Å; R133-D179 HydrophobicContact CG-CB 4.45Å; T137-D179 WeakPolarHBondContact CB-O 3.16Å; T137-D179 VanDerWaalsContact CG2-O 3.32Å; T137-D179 WeakPolarHBondContact CG2-O 3.47Å; T137-D179 PolarHBondContact OG1-O 3.35Å; L165-D179 HydrophobicContact CD2-CB 4.46Å; V175-D179 VanDerWaalsContact O-CB 3.26Å; V175-D179 WeakPolarHBondContact O-CB 3.36Å; V175-D179 PolarHBondContact O-N 3.49Å
180F96.2Very high95.8Very high0 Ų046 Ų460%024%0.24CC..Iπ-helixtrans-137.1-56.8178.9177.1-103.3000115.2L140 L158 L165 Y176 V182 P183 F184 M227L140-F180 HydrophobicContact CB-CD2 3.84Å; L140-F180 HydrophobicContact CB-CE2 3.7Å; L140-F180 HydrophobicContact CD1-CD2 3.76Å; L140-F180 HydrophobicContact CD1-CE2 4.28Å; L140-F180 HydrophobicContact CD1-CG 4.39Å; L140-F180 HydrophobicContact CG-CD2 4.46Å; L158-F180 HydrophobicContact CD1-CE2 4.31Å; L158-F180 HydrophobicContact CD1-CZ 4.18Å; L165-F180 HydrophobicContact CD1-CB 3.82Å; Y176-F180 HydrophobicContact CD2-CD1 4.21Å; Y176-F180 AromaticContact CE2-CD1 3.45Å; Y176-F180 HydrophobicContact CE2-CD1 3.45Å; Y176-F180 VanDerWaalsContact CE2-CD1 3.45Å; Y176-F180 HydrophobicContact CE2-CE1 4.06Å; Y176-F180 HydrophobicContact CE2-CG 4.41Å; Y176-F180 AromaticContact CZ-CD1 3.74Å; Y176-F180 PolarHBondContact O-N 3.3Å; Y176-F180 VanDerWaalsContact O-N 3.14Å; F180-V182 PolarHBondContact O-N 3.01Å; F180-P183 WeakPolarHBondContact O-CD 3.37Å; F180-F184 HydrophobicContact CE1-CB 4.22Å; F180-F184 HydrophobicContact CE1-CG 4.31Å; F180-F184 HydrophobicContact CE2-CB 4.16Å; F180-F184 HydrophobicContact CZ-CB 4.01Å; F180-F184 HydrophobicContact CZ-CD2 4.3Å; F180-F184 HydrophobicContact CZ-CG 4.09Å; F180-F184 WeakPolarHBondContact O-CB 3.25Å; F180-F184 PolarHBondContact O-N 3.02Å; F180-M227 HydrophobicContact CE1-CE 4.28Å; F180-M227 HydrophobicContact CE1-CG 4.44Å; F180-M227 HydrophobicContact CE1-SD 3.99Å; F180-M227 HydrophobicContact CZ-CE 3.92Å; F180-M227 HydrophobicContact CZ-SD 4.25Å
181E97.5Very high96.2Very high2 Ų246.4 Ų46.41%0.00924%0.24CC..Iπ-helixtrans-60.8-45.3-168.4-157.7-168.8-130.900111.9R173 Y176 E177 F184 L185 T231 K234R173-E181 IonicContact CZ-OE1 3.83Å; R173-E181 IonicContact NH1-OE1 3.72Å; R173-E181 PolarHBondContact NH1-OE1 2.75Å; R173-E181 IonicContact NH1-OE2 2.75Å; R173-E181 IonicContact NH2-OE1 2.85Å; R173-E181 PolarHBondContact NH2-OE1 2.65Å; Y176-E181 HydrophobicContact CD1-CB 4.1Å; Y176-E181 HydrophobicContact CE1-CB 3.75Å; Y176-E181 HydrophobicContact CE1-CG 3.85Å; Y176-E181 PolarHBondContact O-N 3.08Å; E177-E181 PolarHBondContact O-N 3.39Å; E181-F184 PolarHBondContact O-N 3.21Å; E181-L185 HydrophobicContact CG-CD1 4.17Å; E181-L185 WeakPolarHBondContact O-CB 3.49Å; E181-L185 WeakPolarHBondContact O-CG 3.33Å; E181-L185 PolarHBondContact O-N 3.26Å; E181-T231 HydrophobicContact CG-CG2 3.99Å; E181-T231 PolarHBondContact OE1-OG1 2.67Å; E181-T231 VanDerWaalsContact OE1-OG1 3.11Å; E181-K234 IonicContact OE1-NZ 3.48Å; E181-K234 IonicContact OE2-NZ 2.81Å; E181-K234 PolarHBondContact OE2-NZ 3.35Å
182V97.8Very high96.7Very high74 Ų7438.5 Ų38.545%0.44820%0.198SC..Hα-helixtrans-64.1-53.3179.3168.20000111.7E177 F180 F184 L185 L186E177-V182 WeakPolarHBondContact O-CB 3.19Å; E177-V182 WeakPolarHBondContact O-CG2 3.49Å; E177-V182 PolarHBondContact O-N 2.89Å; F180-V182 PolarHBondContact O-N 3.01Å; V182-F184 VanDerWaalsContact C-N 3.28Å; V182-F184 PolarHBondContact O-N 3.37Å; V182-L185 PolarHBondContact O-N 2.99Å; V182-L186 HydrophobicContact CG1-CD1 4.16Å; V182-L186 WeakPolarHBondContact O-CG 3.38Å; V182-L186 PolarHBondContact O-N 3.38Å; V182-L186 VanDerWaalsContact O-N 3.08Å
183P97.6Very high96.9Very high32 Ų3240.4 Ų40.421%0.20820%0.201CC..Hα-helixtrans-55.2-40.3172.1-2733.2000113.7T137 L141 F180 L186 R187T137-P183 HydrophobicContact CG2-CB 3.78Å; T137-P183 HydrophobicContact CG2-CG 3.88Å; L141-P183 HydrophobicContact CD1-CB 3.98Å; F180-P183 WeakPolarHBondContact O-CD 3.37Å; P183-L186 PolarHBondContact O-N 3.25Å; P183-R187 WeakPolarHBondContact O-CB 3.13Å; P183-R187 WeakPolarHBondContact O-CG 3.41Å; P183-R187 PolarHBondContact O-N 3.26Å
184F97.9Very high97.1Very high1 Ų146.9 Ų46.90%0.00423%0.226CC..Hα-helixtrans-63.7-44.9178.5161.6-107.2000112.5L141 V144 F180 E181 V182 R187 S188 M227 T231 V235L141-F184 VanDerWaalsContact CD2-CA 3.44Å; L141-F184 HydrophobicContact CD2-CB 3.88Å; V144-F184 HydrophobicContact CG1-CD2 4.27Å; V144-F184 HydrophobicContact CG1-CE2 3.89Å; V144-F184 HydrophobicContact CG2-CD2 4.43Å; V144-F184 HydrophobicContact CG2-CE2 4.47Å; F180-F184 HydrophobicContact CE1-CB 4.22Å; F180-F184 HydrophobicContact CE1-CG 4.31Å; F180-F184 HydrophobicContact CE2-CB 4.16Å; F180-F184 HydrophobicContact CZ-CB 4.01Å; F180-F184 HydrophobicContact CZ-CD2 4.3Å; F180-F184 HydrophobicContact CZ-CG 4.09Å; F180-F184 WeakPolarHBondContact O-CB 3.25Å; F180-F184 PolarHBondContact O-N 3.02Å; E181-F184 PolarHBondContact O-N 3.21Å; V182-F184 VanDerWaalsContact C-N 3.28Å; V182-F184 PolarHBondContact O-N 3.37Å; F184-R187 PolarHBondContact O-N 3.13Å; F184-S188 VanDerWaalsContact CE2-OG 3.28Å; F184-S188 WeakPolarHBondContact CE2-OG 3.29Å; F184-S188 WeakPolarHBondContact O-CB 3.5Å; F184-S188 PolarHBondContact O-N 3.46Å; F184-S188 PolarHBondContact O-OG 3.36Å; F184-M227 HydrophobicContact CD1-SD 4.23Å; F184-M227 HydrophobicContact CD2-CE 4.14Å; F184-M227 HydrophobicContact CE1-CE 4.2Å; F184-M227 HydrophobicContact CE1-SD 3.71Å; F184-M227 HydrophobicContact CE2-CE 3.65Å; F184-M227 HydrophobicContact CE2-SD 4.27Å; F184-M227 HydrophobicContact CZ-CE 3.66Å; F184-M227 HydrophobicContact CZ-SD 3.73Å; F184-T231 HydrophobicContact CD1-CG2 4.05Å; F184-T231 HydrophobicContact CE1-CG2 3.7Å; F184-V235 HydrophobicContact CE1-CB 3.89Å; F184-V235 HydrophobicContact CE1-CG2 3.88Å; F184-V235 HydrophobicContact CZ-CB 4.08Å; F184-V235 HydrophobicContact CZ-CG2 3.65Å
185L98.5Very high97.1Very high28 Ų2845.6 Ų45.615%0.14722%0.216CC..Hα-helixtrans-65.8-40.3178.3-68.5171.9000111.2E181 V182 S188 A189 K234 V235 V238E181-L185 HydrophobicContact CG-CD1 4.17Å; E181-L185 WeakPolarHBondContact O-CB 3.49Å; E181-L185 WeakPolarHBondContact O-CG 3.33Å; E181-L185 PolarHBondContact O-N 3.26Å; V182-L185 PolarHBondContact O-N 2.99Å; L185-S188 PolarHBondContact O-N 3.26Å; L185-A189 PolarHBondContact O-N 2.65Å; L185-K234 HydrophobicContact CD1-CB 3.98Å; L185-K234 HydrophobicContact CD1-CD 4.11Å; L185-K234 HydrophobicContact CD2-CB 3.98Å; L185-V235 HydrophobicContact CD2-CB 3.96Å; L185-V235 HydrophobicContact CD2-CG2 4.45Å; L185-V238 HydrophobicContact CB-CG2 4.48Å; L185-V238 HydrophobicContact CD2-CG2 4.1Å
186L98.2Very high97.2Very high110 Ų11045.6 Ų45.658%0.57622%0.216SC*.Hα-helixtrans-61.6-50.8175.1-73.7168000112V182 P183 S188 A189 E190V182-L186 HydrophobicContact CG1-CD1 4.16Å; V182-L186 WeakPolarHBondContact O-CG 3.38Å; V182-L186 PolarHBondContact O-N 3.38Å; V182-L186 VanDerWaalsContact O-N 3.08Å; P183-L186 PolarHBondContact O-N 3.25Å; L186-S188 VanDerWaalsContact C-N 3.25Å; L186-S188 PolarHBondContact O-N 3.42Å; L186-A189 WeakPolarHBondContact O-CB 3.43Å; L186-A189 PolarHBondContact O-N 3.09Å; L186-E190 PolarHBondContact O-N 2.83Å; L186-E190 VanDerWaalsContact O-N 3.12Å
187R97.6Very high97.2Very high118 Ų11849.4 Ų49.445%0.44524%0.236SC..Hα-helixtrans-64.1-31.6176.5-71.4-56.6-156.5156.58.8112.8L141 P183 F184 E190 F191L141-R187 HydrophobicContact CD1-CG 4.02Å; L141-R187 HydrophobicContact CD2-CB 4.38Å; L141-R187 HydrophobicContact CD2-CG 4.26Å; P183-R187 WeakPolarHBondContact O-CB 3.13Å; P183-R187 WeakPolarHBondContact O-CG 3.41Å; P183-R187 PolarHBondContact O-N 3.26Å; F184-R187 PolarHBondContact O-N 3.13Å; R187-E190 WeakPolarHBondContact CD-OE2 3.46Å; R187-E190 IonicContact NH1-OE2 3.85Å; R187-E190 PolarHBondContact NH1-OE2 3.42Å; R187-F191 WeakPolarHBondContact O-CB 3.22Å; R187-F191 PolarHBondContact O-N 3.12Å
188S98.2Very high97.2Very high0 Ų049.3 Ų49.30%025%0.245CC..Hα-helixtrans-68.1-40.8174.8-620000111.4R148 F184 L185 L186 F191 F192R148-S188 PolarHBondContact NH1-OG 2.88Å; R148-S188 PolarHBondContact NH2-OG 3.24Å; F184-S188 VanDerWaalsContact CE2-OG 3.28Å; F184-S188 WeakPolarHBondContact CE2-OG 3.29Å; F184-S188 WeakPolarHBondContact O-CB 3.5Å; F184-S188 PolarHBondContact O-N 3.46Å; F184-S188 PolarHBondContact O-OG 3.36Å; L185-S188 PolarHBondContact O-N 3.26Å; L186-S188 VanDerWaalsContact C-N 3.25Å; L186-S188 PolarHBondContact O-N 3.42Å; S188-F191 PolarHBondContact O-N 3.16Å; S188-F192 WeakPolarHBondContact O-CD2 3.29Å; S188-F192 VanDerWaalsContact O-CG 3.23Å; S188-F192 WeakPolarHBondContact O-CG 3.43Å; S188-F192 PolarHBondContact O-N 3.04Å
189A98.5Very high97.2Very high22 Ų2245.8 Ų45.818%0.18223%0.227CC..Hα-helixtrans-59.2-48.2173.400000111.6L185 L186 F191 F192 Q193 V238 E242L185-A189 PolarHBondContact O-N 2.65Å; L186-A189 WeakPolarHBondContact O-CB 3.43Å; L186-A189 PolarHBondContact O-N 3.09Å; A189-F191 VanDerWaalsContact C-N 3.28Å; A189-F191 PolarHBondContact O-N 2.69Å; A189-F192 PolarHBondContact O-N 3.21Å; A189-Q193 VanDerWaalsContact O-CB 3.3Å; A189-Q193 WeakPolarHBondContact O-CB 3.3Å; A189-Q193 PolarHBondContact O-N 3.07Å; A189-V238 HydrophobicContact CB-CG1 3.64Å; A189-E242 HydrophobicContact CB-CG 4.19Å
190E98Very high97.2Very high88 Ų8847 Ų4741%0.41123%0.233SC..Hα-helixtrans-59.5-37175.9-68.1175.6179.500112.9L186 R187 R194L186-E190 PolarHBondContact O-N 2.83Å; L186-E190 VanDerWaalsContact O-N 3.12Å; R187-E190 WeakPolarHBondContact CD-OE2 3.46Å; R187-E190 IonicContact NH1-OE2 3.85Å; R187-E190 PolarHBondContact NH1-OE2 3.42Å; E190-R194 WeakPolarHBondContact O-CG 3.44Å; E190-R194 PolarHBondContact O-N 2.79Å; E190-R194 PolarHBondContact O-NE 3.35Å
191F97.7Very high97.1Very high30 Ų3051.4 Ų51.413%0.13226%0.264CS..Hα-helixtrans-68.7-52.3176.9174.3-95.1000111.4R148 R187 S188 A189 Q193 R194 E195R148-F191 HydrophobicContact CB-CE1 4.43Å; R148-F191 HydrophobicContact CB-CE2 4.16Å; R148-F191 HydrophobicContact CB-CZ 3.92Å; R148-F191 HydrophobicContact CG-CE1 4.36Å; R148-F191 HydrophobicContact CG-CZ 4.34Å; R187-F191 WeakPolarHBondContact O-CB 3.22Å; R187-F191 PolarHBondContact O-N 3.12Å; S188-F191 PolarHBondContact O-N 3.16Å; A189-F191 VanDerWaalsContact C-N 3.28Å; A189-F191 PolarHBondContact O-N 2.69Å; F191-Q193 VanDerWaalsContact C-N 3.29Å; F191-Q193 PolarHBondContact O-N 3.4Å; F191-R194 PolarHBondContact O-N 3.22Å; F191-E195 WeakPolarHBondContact CE1-OE2 3.35Å; F191-E195 WeakPolarHBondContact O-CB 3.44Å; F191-E195 PolarHBondContact O-N 3.43Å
192F98.3Very high96.8Very high0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-64.1-33.9-179.5-61.7-38.6000112.3S188 A189 S196 R215 E219 V235 V238 L239 E242 M243S188-F192 WeakPolarHBondContact O-CD2 3.29Å; S188-F192 VanDerWaalsContact O-CG 3.23Å; S188-F192 WeakPolarHBondContact O-CG 3.43Å; S188-F192 PolarHBondContact O-N 3.04Å; A189-F192 PolarHBondContact O-N 3.21Å; F192-S196 VanDerWaalsContact O-CB 3.26Å; F192-S196 WeakPolarHBondContact O-CB 3.42Å; F192-S196 PolarHBondContact O-N 3.35Å; F192-S196 PolarHBondContact O-OG 2.69Å; F192-R215 HydrophobicContact CE1-CG 4.21Å; F192-E219 HydrophobicContact CE1-CG 3.96Å; F192-E219 HydrophobicContact CZ-CG 3.83Å; F192-V235 HydrophobicContact CE2-CG2 4.09Å; F192-V235 HydrophobicContact CZ-CG2 4.22Å; F192-V238 HydrophobicContact CD2-CG1 4.13Å; F192-V238 HydrophobicContact CE2-CG1 4.41Å; F192-L239 HydrophobicContact CD1-CD1 4.46Å; F192-L239 HydrophobicContact CD1-CG 4.33Å; F192-L239 HydrophobicContact CD2-CB 3.87Å; F192-L239 HydrophobicContact CD2-CG 4.31Å; F192-L239 HydrophobicContact CE1-CD1 4.01Å; F192-L239 HydrophobicContact CE1-CG 4.29Å; F192-L239 HydrophobicContact CE2-CB 3.68Å; F192-L239 HydrophobicContact CE2-CD1 4.46Å; F192-L239 HydrophobicContact CE2-CG 4.25Å; F192-L239 HydrophobicContact CG-CB 4.42Å; F192-L239 HydrophobicContact CG-CG 4.38Å; F192-L239 HydrophobicContact CZ-CB 4.07Å; F192-L239 HydrophobicContact CZ-CD1 4.02Å; F192-L239 HydrophobicContact CZ-CG 4.26Å; F192-E242 HydrophobicContact CB-CB 3.82Å; F192-E242 HydrophobicContact CB-CG 4.4Å; F192-M243 HydrophobicContact CB-CG 3.82Å; F192-M243 HydrophobicContact CB-SD 4.16Å; F192-M243 HydrophobicContact CD1-SD 4.02Å; F192-M243 HydrophobicContact CG-CG 4.41Å; F192-M243 HydrophobicContact CG-SD 4.29Å
193Q97.9Very high96.5Very high90 Ų9059.2 Ų59.242%0.42130%0.296SS..Hα-helixtrans-62.9-47.5173.6-172.2-175.542.900111.6A189 F191 S196 N197A189-Q193 VanDerWaalsContact O-CB 3.3Å; A189-Q193 WeakPolarHBondContact O-CB 3.3Å; A189-Q193 PolarHBondContact O-N 3.07Å; F191-Q193 VanDerWaalsContact C-N 3.29Å; F191-Q193 PolarHBondContact O-N 3.4Å; Q193-S196 PolarHBondContact O-OG 3.49Å; Q193-N197 VanDerWaalsContact O-CG 3.26Å; Q193-N197 PolarHBondContact O-N 3.3Å; Q193-N197 VanDerWaalsContact O-N 3.17Å; Q193-N197 PolarHBondContact O-ND2 3.32Å
194R97.2Very high96.3Very high166 Ų16660.5 Ų60.563%0.62630%0.301SS*.Hα-helixtrans-64.5-42.4177.9-74.5-176.2-66.7151-4.5111.8E190 F191 A198E190-R194 WeakPolarHBondContact O-CG 3.44Å; E190-R194 PolarHBondContact O-N 2.79Å; E190-R194 PolarHBondContact O-NE 3.35Å; F191-R194 PolarHBondContact O-N 3.22Å; R194-A198 PolarHBondContact O-N 3.08Å; R194-A198 VanDerWaalsContact O-N 3.07Å
195E96Very high96.3Very high27 Ų2760.5 Ų60.513%0.12630%0.301CS..Hα-helixtrans-68.7-44.4-178.7-177.3163.1-117.600112.4F191 N197 A198 Y199 R215 M243F191-E195 WeakPolarHBondContact CE1-OE2 3.35Å; F191-E195 WeakPolarHBondContact O-CB 3.44Å; F191-E195 PolarHBondContact O-N 3.43Å; E195-N197 VanDerWaalsContact C-N 3.34Å; E195-N197 PolarHBondContact O-N 3.11Å; E195-A198 WeakPolarHBondContact O-CB 3.47Å; E195-A198 PolarHBondContact O-N 3.25Å; E195-Y199 VanDerWaalsContact CD-CZ 3.44Å; E195-Y199 HydrophobicContact CG-CD1 4.25Å; E195-Y199 HydrophobicContact CG-CD2 4.17Å; E195-Y199 HydrophobicContact CG-CE1 3.63Å; E195-Y199 HydrophobicContact CG-CE2 3.56Å; E195-Y199 HydrophobicContact CG-CG 4.49Å; E195-Y199 WeakPolarHBondContact CG-OH 3.49Å; E195-Y199 WeakPolarHBondContact O-CD1 3.46Å; E195-Y199 PolarHBondContact O-N 3.32Å; E195-Y199 PolarHBondContact OE1-OH 3.42Å; E195-R215 IonicContact OE1-CZ 3.63Å; E195-R215 IonicContact OE1-NE 2.79Å; E195-R215 IonicContact OE1-NH2 3.23Å; E195-R215 PolarHBondContact OE1-NH2 2.85Å; E195-R215 IonicContact OE2-CZ 2.75Å; E195-R215 IonicContact OE2-NE 2.63Å; E195-R215 PolarHBondContact OE2-NE 3.02Å; E195-R215 IonicContact OE2-NH2 3.8Å; E195-R215 PolarHBondContact OE2-NH2 3.49Å; E195-M243 HydrophobicContact CB-CE 4.35Å; E195-M243 HydrophobicContact CG-CE 4.03Å
196S96.6Very high96.1Very high0 Ų059.4 Ų59.40%030%0.296CS..Hα-helixtrans-60.2-42.9175.754.20000112.1F192 Q193 A198 Y199 L200 Y208 H247F192-S196 VanDerWaalsContact O-CB 3.26Å; F192-S196 WeakPolarHBondContact O-CB 3.42Å; F192-S196 PolarHBondContact O-N 3.35Å; F192-S196 PolarHBondContact O-OG 2.69Å; Q193-S196 PolarHBondContact O-OG 3.49Å; S196-A198 VanDerWaalsContact C-N 3.34Å; S196-A198 PolarHBondContact O-N 3.1Å; S196-Y199 PolarHBondContact O-N 3.38Å; S196-L200 WeakPolarHBondContact O-CG 3.26Å; S196-L200 PolarHBondContact O-N 2.98Å; S196-Y208 WeakPolarHBondContact CB-OH 3.37Å; S196-H247 WeakPolarHBondContact CB-NE2 3.46Å; S196-H247 PolarHBondContact OG-NE2 3.13Å
197N96.5Very high96Very high81 Ų8156.3 Ų56.343%0.43328%0.281SS..Hα-helixtrans-62.4-40175.2-70.9-24.6000112.4Q193 E195 L200 S201 H247Q193-N197 VanDerWaalsContact O-CG 3.26Å; Q193-N197 PolarHBondContact O-N 3.3Å; Q193-N197 VanDerWaalsContact O-N 3.17Å; Q193-N197 PolarHBondContact O-ND2 3.32Å; E195-N197 VanDerWaalsContact C-N 3.34Å; E195-N197 PolarHBondContact O-N 3.11Å; N197-L200 PolarHBondContact O-N 3.4Å; N197-S201 PolarHBondContact O-N 3.11Å; N197-S201 VanDerWaalsContact O-N 3.15Å; N197-H247 PolarHBondContact OD1-CE1 2.91Å
198A96Very high96Very high52 Ų5251 Ų5143%0.4326%0.261SS..Hα-helixtrans-63.6-43.2175.100000111.5R194 E195 S196 L200 S201R194-A198 PolarHBondContact O-N 3.08Å; R194-A198 VanDerWaalsContact O-N 3.07Å; E195-A198 WeakPolarHBondContact O-CB 3.47Å; E195-A198 PolarHBondContact O-N 3.25Å; S196-A198 VanDerWaalsContact C-N 3.34Å; S196-A198 PolarHBondContact O-N 3.1Å; A198-L200 PolarHBondContact O-N 3.16Å; A198-S201 PolarHBondContact O-N 3.34Å; A198-S201 PolarHBondContact O-OG 2.96Å
199Y95.4Very high95.9Very high32 Ų3251.2 Ų51.213%0.12526%0.262CS..Hα-helixtrans-66.5-37177.6-64-9.2000112.5E195 S196 S201 E202 Y208 K211 M243E195-Y199 VanDerWaalsContact CD-CZ 3.44Å; E195-Y199 HydrophobicContact CG-CD1 4.25Å; E195-Y199 HydrophobicContact CG-CD2 4.17Å; E195-Y199 HydrophobicContact CG-CE1 3.63Å; E195-Y199 HydrophobicContact CG-CE2 3.56Å; E195-Y199 HydrophobicContact CG-CG 4.49Å; E195-Y199 WeakPolarHBondContact CG-OH 3.49Å; E195-Y199 WeakPolarHBondContact O-CD1 3.46Å; E195-Y199 PolarHBondContact O-N 3.32Å; E195-Y199 PolarHBondContact OE1-OH 3.42Å; S196-Y199 PolarHBondContact O-N 3.38Å; Y199-S201 VanDerWaalsContact C-N 3.26Å; Y199-S201 PolarHBondContact O-N 2.98Å; Y199-E202 WeakPolarHBondContact O-CB 3.45Å; Y199-E202 PolarHBondContact O-N 3.41Å; Y199-Y208 VanDerWaalsContact CB-CD2 3.47Å; Y199-K211 HydrophobicContact CD1-CD 3.78Å; Y199-K211 HydrophobicContact CD2-CB 3.73Å; Y199-K211 HydrophobicContact CD2-CD 4.04Å; Y199-K211 HydrophobicContact CE1-CD 3.77Å; Y199-K211 HydrophobicContact CE2-CB 3.44Å; Y199-K211 VanDerWaalsContact CE2-CB 3.44Å; Y199-K211 HydrophobicContact CE2-CD 4Å; Y199-K211 HydrophobicContact CE2-CG 4.29Å; Y199-K211 HydrophobicContact CG-CB 4.45Å; Y199-K211 HydrophobicContact CG-CD 3.92Å; Y199-M243 HydrophobicContact CD2-CE 4.03Å; Y199-M243 HydrophobicContact CE2-CE 3.89Å
200L93.9Very high95.8Very high33 Ų3356.9 Ų56.917%0.17328%0.279CS..Hα-helixtrans-63.5-32.9175.1-77.8176.3000112.5S196 N197 A198 E202 E203 Y208 H247 V251 M254S196-L200 WeakPolarHBondContact O-CG 3.26Å; S196-L200 PolarHBondContact O-N 2.98Å; N197-L200 PolarHBondContact O-N 3.4Å; A198-L200 PolarHBondContact O-N 3.16Å; L200-E202 PolarHBondContact O-N 3.38Å; L200-E202 VanDerWaalsContact O-N 3.15Å; L200-E203 PolarHBondContact O-N 3.08Å; L200-Y208 HydrophobicContact CD2-CD2 3.85Å; L200-Y208 HydrophobicContact CD2-CE2 3.8Å; L200-Y208 HydrophobicContact CD2-CG 4.48Å; L200-Y208 HydrophobicContact CG-CD2 4.01Å; L200-Y208 HydrophobicContact CG-CE2 3.64Å; L200-H247 HydrophobicContact CD1-CB 4.12Å; L200-H247 VanDerWaalsContact CD1-ND1 3.31Å; L200-H247 WeakPolarHBondContact CD1-ND1 3.28Å; L200-V251 HydrophobicContact CD2-CG2 3.8Å; L200-M254 HydrophobicContact CD2-CE 4.4Å
201S93.9Very high95.7Very high93 Ų9355.7 Ų55.765%0.6527%0.273SS*.THydrogen-bonded Turntrans-65.2-14.317876.30000114.2N197 A198 Y199 E203N197-S201 PolarHBondContact O-N 3.11Å; N197-S201 VanDerWaalsContact O-N 3.15Å; A198-S201 PolarHBondContact O-N 3.34Å; A198-S201 PolarHBondContact O-OG 2.96Å; Y199-S201 VanDerWaalsContact C-N 3.26Å; Y199-S201 PolarHBondContact O-N 2.98Å; S201-E203 PolarHBondContact O-N 3.38Å
202E91.8Very high95.7Very high97 Ų9754.2 Ų54.245%0.45327%0.266SS..THydrogen-bonded Turntrans-78.5-6.6172.6-62.6178.2-169.500112.9Y199 L200 N204 V207 K211Y199-E202 WeakPolarHBondContact O-CB 3.45Å; Y199-E202 PolarHBondContact O-N 3.41Å; L200-E202 PolarHBondContact O-N 3.38Å; L200-E202 VanDerWaalsContact O-N 3.15Å; E202-N204 PolarHBondContact O-N 3.22Å; E202-N204 VanDerWaalsContact O-N 3.08Å; E202-V207 WeakPolarHBondContact OE2-CG1 3.34Å; E202-K211 IonicContact OE1-NZ 3.48Å; E202-K211 PolarHBondContact OE1-NZ 3.46Å; E202-K211 IonicContact OE2-NZ 2.77Å; E202-K211 PolarHBondContact OE2-NZ 3.3Å
203E90.6Very high95.6Very high144 Ų14457.5 Ų57.567%0.67328%0.284SS*.  trans49.935.3177.3-62.7-174.1170.500114.2L200 S201 M254 S257L200-E203 PolarHBondContact O-N 3.08Å; S201-E203 PolarHBondContact O-N 3.38Å; E203-M254 VanDerWaalsContact O-SD 3.34Å; E203-S257 PolarHBondContact O-OG 3.19Å
204N94.8Very high95.5Very high59 Ų5957.9 Ų57.932%0.31629%0.285SS..  trans-132.9104.2179.5-168.8-43.4000111.9E202 S206 V207 Y208 S257E202-N204 PolarHBondContact O-N 3.22Å; E202-N204 VanDerWaalsContact O-N 3.08Å; N204-S206 VanDerWaalsContact C-N 3.35Å; N204-S206 PolarHBondContact O-N 3.35Å; N204-S206 WeakPolarHBondContact OD1-CB 3.43Å; N204-S206 PolarHBondContact OD1-N 3.46Å; N204-S206 VanDerWaalsContact OD1-N 3.11Å; N204-V207 HydrophobicContact CB-CB 4.06Å; N204-V207 HydrophobicContact CB-CG2 4.03Å; N204-V207 PolarHBondContact O-N 2.98Å; N204-V207 PolarHBondContact OD1-N 2.88Å; N204-V207 VanDerWaalsContact OD1-N 3.1Å; N204-Y208 WeakPolarHBondContact O-CB 3.48Å; N204-Y208 PolarHBondContact O-N 2.75Å; N204-S257 WeakPolarHBondContact CA-OG 3.3Å
205A96Very high95.5Very high0 Ų051.3 Ų51.30%026%0.261CS..Hα-helixtrans-60.8-40-178.500000112.5V207 Y208 I209 V251 M254 S257 M262 M274A205-V207 PolarHBondContact O-N 3.11Å; A205-Y208 WeakPolarHBondContact O-CB 3.37Å; A205-Y208 PolarHBondContact O-N 2.69Å; A205-I209 WeakPolarHBondContact O-CB 3.21Å; A205-I209 VanDerWaalsContact O-CD1 3.29Å; A205-I209 WeakPolarHBondContact O-CD1 3.42Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 2.97Å; A205-V251 HydrophobicContact CB-CG1 3.84Å; A205-V251 WeakPolarHBondContact CB-O 3.05Å; A205-M254 HydrophobicContact CB-SD 4.07Å; A205-M254 PolarHBondContact N-SD 2.97Å; A205-M254 VanDerWaalsContact N-SD 3.39Å; A205-S257 PolarHBondContact N-OG 3.04Å; A205-M262 HydrophobicContact CB-CE 4.02Å; A205-M274 HydrophobicContact CB-CE 4.39Å
206S95.3Very high95.6Very high6 Ų650.3 Ų50.34%0.04226%0.256CS..Hα-helixtrans-62.9-43.1178.3-59.10000111.8N204 R210 M262 R267 D270N204-S206 VanDerWaalsContact C-N 3.35Å; N204-S206 PolarHBondContact O-N 3.35Å; N204-S206 WeakPolarHBondContact OD1-CB 3.43Å; N204-S206 PolarHBondContact OD1-N 3.46Å; N204-S206 VanDerWaalsContact OD1-N 3.11Å; S206-R210 VanDerWaalsContact O-CG 3.3Å; S206-R210 WeakPolarHBondContact O-CG 3.29Å; S206-R210 PolarHBondContact O-N 3.34Å; S206-R210 VanDerWaalsContact O-N 3.17Å; S206-M262 WeakPolarHBondContact OG-CE 3.31Å; S206-R267 PolarHBondContact OG-NH1 3.39Å; S206-D270 WeakPolarHBondContact CB-OD2 3.4Å; S206-D270 PolarHBondContact OG-OD2 3.15Å
207V95.4Very high95.6Very high45 Ų4554.6 Ų54.627%0.27328%0.278SS..Hα-helixtrans-66.4-45.2177.2176.50000110.2E202 N204 A205 I209 R210 K211E202-V207 WeakPolarHBondContact OE2-CG1 3.34Å; N204-V207 HydrophobicContact CB-CB 4.06Å; N204-V207 HydrophobicContact CB-CG2 4.03Å; N204-V207 PolarHBondContact O-N 2.98Å; N204-V207 PolarHBondContact OD1-N 2.88Å; N204-V207 VanDerWaalsContact OD1-N 3.1Å; A205-V207 PolarHBondContact O-N 3.11Å; V207-I209 PolarHBondContact O-N 3.17Å; V207-R210 PolarHBondContact O-N 3.49Å; V207-K211 HydrophobicContact CG1-CD 3.89Å; V207-K211 HydrophobicContact CG1-CG 4.29Å; V207-K211 WeakPolarHBondContact O-CB 3.38Å; V207-K211 WeakPolarHBondContact O-CG 3.27Å; V207-K211 PolarHBondContact O-N 3.06Å
208Y97.5Very high95.6Very high5 Ų554.3 Ų54.32%0.0227%0.274CS..Hα-helixtrans-53.9-55.1176.5-174.6-87.4000111.6S196 Y199 L200 N204 A205 R210 K211 V212 M243 H247 V251S196-Y208 WeakPolarHBondContact CB-OH 3.37Å; Y199-Y208 VanDerWaalsContact CB-CD2 3.47Å; L200-Y208 HydrophobicContact CD2-CD2 3.85Å; L200-Y208 HydrophobicContact CD2-CE2 3.8Å; L200-Y208 HydrophobicContact CD2-CG 4.48Å; L200-Y208 HydrophobicContact CG-CD2 4.01Å; L200-Y208 HydrophobicContact CG-CE2 3.64Å; N204-Y208 WeakPolarHBondContact O-CB 3.48Å; N204-Y208 PolarHBondContact O-N 2.75Å; A205-Y208 WeakPolarHBondContact O-CB 3.37Å; A205-Y208 PolarHBondContact O-N 2.69Å; Y208-R210 VanDerWaalsContact C-N 3.32Å; Y208-R210 PolarHBondContact O-N 3.19Å; Y208-K211 PolarHBondContact O-N 2.81Å; Y208-V212 HydrophobicContact CD1-CG2 3.92Å; Y208-V212 HydrophobicContact CE1-CG2 3.51Å; Y208-V212 HydrophobicContact CE2-CG2 4.41Å; Y208-V212 WeakPolarHBondContact O-CG2 3.47Å; Y208-V212 PolarHBondContact O-N 2.95Å; Y208-M243 WeakPolarHBondContact CE1-O 3.26Å; Y208-M243 PolarHBondContact OH-O 3.1Å; Y208-H247 PolarHBondContact OH-CD2 2.65Å; Y208-H247 VanDerWaalsContact OH-CD2 3.3Å; Y208-V251 HydrophobicContact CD1-CG1 4.17Å; Y208-V251 HydrophobicContact CD1-CG2 3.52Å; Y208-V251 HydrophobicContact CE1-CG2 3.62Å; Y208-V251 HydrophobicContact CG-CG2 4.04Å
209I96.6Very high95.6Very high5 Ų552.1 Ų52.13%0.02626%0.255CS..Hα-helixtrans-59.5-43.1-176.9-69.2160.5000111.1A205 V207 N213 V251 M262 C273 M274 L277A205-I209 WeakPolarHBondContact O-CB 3.21Å; A205-I209 VanDerWaalsContact O-CD1 3.29Å; A205-I209 WeakPolarHBondContact O-CD1 3.42Å; A205-I209 WeakPolarHBondContact O-CG1 3.49Å; A205-I209 PolarHBondContact O-N 2.97Å; V207-I209 PolarHBondContact O-N 3.17Å; I209-N213 WeakPolarHBondContact O-CB 3.32Å; I209-N213 PolarHBondContact O-N 3.17Å; I209-V251 HydrophobicContact CD1-CG1 3.95Å; I209-V251 HydrophobicContact CG1-CG1 3.92Å; I209-M262 HydrophobicContact CD1-CE 4.21Å; I209-C273 HydrophobicContact CG2-CB 3.72Å; I209-M274 HydrophobicContact CD1-CB 3.63Å; I209-M274 HydrophobicContact CD1-CE 3.53Å; I209-M274 HydrophobicContact CD1-CG 3.77Å; I209-L277 HydrophobicContact CB-CD2 4.19Å; I209-L277 HydrophobicContact CG1-CD2 4Å; I209-L277 HydrophobicContact CG2-CB 4.31Å; I209-L277 HydrophobicContact CG2-CD2 3.95Å
210R96Very high95.7Very high142 Ų14252.2 Ų52.254%0.53626%0.26SS..Hα-helixtrans-66-43.2178.5-71.2178.2-165.71662.7112S206 V207 Y208 N213 Q214 D270S206-R210 VanDerWaalsContact O-CG 3.3Å; S206-R210 WeakPolarHBondContact O-CG 3.29Å; S206-R210 PolarHBondContact O-N 3.34Å; S206-R210 VanDerWaalsContact O-N 3.17Å; V207-R210 PolarHBondContact O-N 3.49Å; Y208-R210 VanDerWaalsContact C-N 3.32Å; Y208-R210 PolarHBondContact O-N 3.19Å; R210-N213 PolarHBondContact O-N 2.92Å; R210-Q214 WeakPolarHBondContact O-CB 3.41Å; R210-Q214 PolarHBondContact O-N 3.1Å; R210-D270 IonicContact CZ-OD1 3.66Å; R210-D270 IonicContact NE-OD1 2.71Å; R210-D270 IonicContact NH2-OD1 3.16Å; R210-D270 PolarHBondContact NH2-OD1 2.96Å; R210-D270 IonicContact NH2-OD2 3.7Å
211K96.4Very high95.7Very high62 Ų6256.9 Ų56.927%0.2728%0.277SS..Hα-helixtrans-64.3-42.7177.7-73179.2172173.80111.7Y199 E202 V207 Y208 Q214 R215Y199-K211 HydrophobicContact CD1-CD 3.78Å; Y199-K211 HydrophobicContact CD2-CB 3.73Å; Y199-K211 HydrophobicContact CD2-CD 4.04Å; Y199-K211 HydrophobicContact CE1-CD 3.77Å; Y199-K211 HydrophobicContact CE2-CB 3.44Å; Y199-K211 VanDerWaalsContact CE2-CB 3.44Å; Y199-K211 HydrophobicContact CE2-CD 4Å; Y199-K211 HydrophobicContact CE2-CG 4.29Å; Y199-K211 HydrophobicContact CG-CB 4.45Å; Y199-K211 HydrophobicContact CG-CD 3.92Å; E202-K211 IonicContact OE1-NZ 3.48Å; E202-K211 PolarHBondContact OE1-NZ 3.46Å; E202-K211 IonicContact OE2-NZ 2.77Å; E202-K211 PolarHBondContact OE2-NZ 3.3Å; V207-K211 HydrophobicContact CG1-CD 3.89Å; V207-K211 HydrophobicContact CG1-CG 4.29Å; V207-K211 WeakPolarHBondContact O-CB 3.38Å; V207-K211 WeakPolarHBondContact O-CG 3.27Å; V207-K211 PolarHBondContact O-N 3.06Å; Y208-K211 PolarHBondContact O-N 2.81Å; K211-Q214 PolarHBondContact O-N 2.99Å; K211-R215 PolarHBondContact O-N 3.28Å
212V97.8Very high95.8Very high0 Ų053 Ų530%025%0.248CC..Hα-helixtrans-62.7-45.8175.2177.20000111Y208 Q214 R215 I216 L239 M243 I244 L277Y208-V212 HydrophobicContact CD1-CG2 3.92Å; Y208-V212 HydrophobicContact CE1-CG2 3.51Å; Y208-V212 HydrophobicContact CE2-CG2 4.41Å; Y208-V212 WeakPolarHBondContact O-CG2 3.47Å; Y208-V212 PolarHBondContact O-N 2.95Å; V212-Q214 VanDerWaalsContact C-N 3.31Å; V212-Q214 PolarHBondContact O-N 2.57Å; V212-R215 PolarHBondContact O-N 2.8Å; V212-R215 VanDerWaalsContact O-N 3.14Å; V212-I216 HydrophobicContact CG1-CD1 4.21Å; V212-I216 WeakPolarHBondContact O-CG1 3.27Å; V212-I216 PolarHBondContact O-N 2.82Å; V212-L239 HydrophobicContact CG1-CD2 4.17Å; V212-M243 HydrophobicContact CG1-CB 4.03Å; V212-M243 HydrophobicContact CG2-CB 4.12Å; V212-M243 HydrophobicContact CG2-CE 4.02Å; V212-I244 HydrophobicContact CG1-CG1 4.03Å; V212-L277 HydrophobicContact CB-CD1 4.49Å; V212-L277 HydrophobicContact CB-CD2 4.32Å; V212-L277 HydrophobicContact CG1-CD1 3.84Å; V212-L277 HydrophobicContact CG1-CD2 4.25Å
213N96.1Very high96Very high69 Ų6948.4 Ų48.437%0.36923%0.227SC..Hα-helixtrans-62-39.9178.1-171.163.9000112.3I209 R210 I216 I217I209-N213 WeakPolarHBondContact O-CB 3.32Å; I209-N213 PolarHBondContact O-N 3.17Å; R210-N213 PolarHBondContact O-N 2.92Å; N213-I216 PolarHBondContact O-N 2.92Å; N213-I217 WeakPolarHBondContact O-CG1 3.38Å; N213-I217 PolarHBondContact O-N 3.21Å
214Q96.2Very high96.2Very high97 Ų9747.9 Ų47.945%0.45322%0.222SC..Hα-helixtrans-61.8-44173.6-179.159.127.100111.4R210 K211 V212 I216 I217 E218R210-Q214 WeakPolarHBondContact O-CB 3.41Å; R210-Q214 PolarHBondContact O-N 3.1Å; K211-Q214 PolarHBondContact O-N 2.99Å; V212-Q214 VanDerWaalsContact C-N 3.31Å; V212-Q214 PolarHBondContact O-N 2.57Å; Q214-I216 VanDerWaalsContact C-N 3.33Å; Q214-I216 PolarHBondContact O-N 3.41Å; Q214-I217 PolarHBondContact O-N 3.48Å; Q214-I217 VanDerWaalsContact O-N 3.17Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.47Å; Q214-E218 PolarHBondContact NE2-OE1 3.48Å; Q214-E218 WeakPolarHBondContact O-CG 3.36Å; Q214-E218 PolarHBondContact O-N 2.93Å
215R96.6Very high96.2Very high29 Ų2948.9 Ų48.911%0.10923%0.225CC..Hα-helixtrans-63.4-37.4178.3-169.162.871.5-163.48.8112.4F192 E195 K211 V212 I217 E218 E219 L239 M243F192-R215 HydrophobicContact CE1-CG 4.21Å; E195-R215 IonicContact OE1-CZ 3.63Å; E195-R215 IonicContact OE1-NE 2.79Å; E195-R215 IonicContact OE1-NH2 3.23Å; E195-R215 PolarHBondContact OE1-NH2 2.85Å; E195-R215 IonicContact OE2-CZ 2.75Å; E195-R215 IonicContact OE2-NE 2.63Å; E195-R215 PolarHBondContact OE2-NE 3.02Å; E195-R215 IonicContact OE2-NH2 3.8Å; E195-R215 PolarHBondContact OE2-NH2 3.49Å; K211-R215 PolarHBondContact O-N 3.28Å; V212-R215 PolarHBondContact O-N 2.8Å; V212-R215 VanDerWaalsContact O-N 3.14Å; R215-I217 VanDerWaalsContact C-N 3.33Å; R215-I217 PolarHBondContact O-N 3.46Å; R215-E218 IonicContact CZ-OE2 3.57Å; R215-E218 IonicContact NH1-OE2 2.68Å; R215-E218 PolarHBondContact NH1-OE2 3.4Å; R215-E218 PolarHBondContact O-N 2.83Å; R215-E219 HydrophobicContact CG-CG 4.19Å; R215-E219 WeakPolarHBondContact O-CB 3.45Å; R215-E219 WeakPolarHBondContact O-CG 3.39Å; R215-E219 PolarHBondContact O-N 3.36Å; R215-L239 HydrophobicContact CB-CD1 4.31Å; R215-L239 HydrophobicContact CG-CD1 3.82Å; R215-M243 HydrophobicContact CG-SD 4.35Å
216I97.6Very high96.1Very high6 Ų651.6 Ų51.63%0.03124%0.235CC..Hα-helixtrans-57.9-46.2173.4-69.9168.1000110.9V212 N213 Q214 S220 I236 L239 I244 L277V212-I216 HydrophobicContact CG1-CD1 4.21Å; V212-I216 WeakPolarHBondContact O-CG1 3.27Å; V212-I216 PolarHBondContact O-N 2.82Å; N213-I216 PolarHBondContact O-N 2.92Å; Q214-I216 VanDerWaalsContact C-N 3.33Å; Q214-I216 PolarHBondContact O-N 3.41Å; I216-S220 VanDerWaalsContact O-CB 3.24Å; I216-S220 WeakPolarHBondContact O-CB 3.42Å; I216-S220 PolarHBondContact O-N 3.2Å; I216-I236 HydrophobicContact CG2-CD1 4.34Å; I216-L239 HydrophobicContact CD1-CD2 4.1Å; I216-L239 HydrophobicContact CG1-CD1 4.07Å; I216-L239 HydrophobicContact CG1-CD2 3.45Å; I216-L239 VanDerWaalsContact CG1-CD2 3.45Å; I216-L239 HydrophobicContact CG1-CG 4.42Å; I216-I244 HydrophobicContact CD1-CD1 4.26Å; I216-L277 HydrophobicContact CD1-CD1 3.84Å
217I97.3Very high96.1Very high90 Ų9052.1 Ų52.146%0.46224%0.237SC..Hα-helixtrans-64-46.1-179.8-65165.5000110.4N213 Q214 R215 Y221N213-I217 WeakPolarHBondContact O-CG1 3.38Å; N213-I217 PolarHBondContact O-N 3.21Å; Q214-I217 PolarHBondContact O-N 3.48Å; Q214-I217 VanDerWaalsContact O-N 3.17Å; R215-I217 VanDerWaalsContact C-N 3.33Å; R215-I217 PolarHBondContact O-N 3.46Å; I217-Y221 VanDerWaalsContact O-CB 3.32Å; I217-Y221 WeakPolarHBondContact O-CB 3.38Å; I217-Y221 PolarHBondContact O-N 3.34Å
218E96Very high96.1Very high75 Ų7551.4 Ų51.435%0.3523%0.232SC..Hα-helixtrans-63.4-46.5-179.7-71.1172.9-175.100112.4Q214 R215 F222Q214-E218 WeakPolarHBondContact CG-OE1 3.47Å; Q214-E218 PolarHBondContact NE2-OE1 3.48Å; Q214-E218 WeakPolarHBondContact O-CG 3.36Å; Q214-E218 PolarHBondContact O-N 2.93Å; R215-E218 IonicContact CZ-OE2 3.57Å; R215-E218 IonicContact NH1-OE2 2.68Å; R215-E218 PolarHBondContact NH1-OE2 3.4Å; R215-E218 PolarHBondContact O-N 2.83Å; E218-F222 VanDerWaalsContact O-CB 3.23Å; E218-F222 WeakPolarHBondContact O-CB 3.35Å; E218-F222 PolarHBondContact O-N 3.14Å
219E96.5Very high95.8Very high5 Ų555.4 Ų55.42%0.02326%0.261CS..Hα-helixtrans-70.7-39.2-178.9-71.9-68.1146.200112.1R148 F192 R215 F222 A223 I236 L239R148-E219 IonicContact CZ-OE1 3.51Å; R148-E219 IonicContact CZ-OE2 2.6Å; R148-E219 IonicContact NE-OE1 2.87Å; R148-E219 PolarHBondContact NE-OE1 3.34Å; R148-E219 IonicContact NE-OE2 3.29Å; R148-E219 IonicContact NH2-OE1 2.68Å; R148-E219 PolarHBondContact NH2-OE1 3.26Å; R148-E219 IonicContact NH2-OE2 3.03Å; R148-E219 PolarHBondContact NH2-OE2 3.04Å; F192-E219 HydrophobicContact CE1-CG 3.96Å; F192-E219 HydrophobicContact CZ-CG 3.83Å; R215-E219 HydrophobicContact CG-CG 4.19Å; R215-E219 WeakPolarHBondContact O-CB 3.45Å; R215-E219 WeakPolarHBondContact O-CG 3.39Å; R215-E219 PolarHBondContact O-N 3.36Å; E219-F222 PolarHBondContact O-N 2.89Å; E219-A223 WeakPolarHBondContact O-CB 3.27Å; E219-A223 PolarHBondContact O-N 3.39Å; E219-I236 HydrophobicContact CB-CD1 4.08Å; E219-L239 HydrophobicContact CB-CD1 4.27Å; E219-L239 HydrophobicContact CG-CD1 4.09Å
220S96.9Very high95.7Very high34 Ų3460.9 Ų60.924%0.23828%0.284CS..Hα-helixtrans-61.8-48.5174.2161.30000110.4I216 F222 K224 E232I216-S220 VanDerWaalsContact O-CB 3.24Å; I216-S220 WeakPolarHBondContact O-CB 3.42Å; I216-S220 PolarHBondContact O-N 3.2Å; S220-F222 VanDerWaalsContact C-N 3.33Å; S220-F222 PolarHBondContact O-N 2.91Å; S220-K224 WeakPolarHBondContact O-CB 3.49Å; S220-K224 PolarHBondContact O-N 3.35Å; S220-E232 PolarHBondContact OG-OE1 3.4Å
221Y95.4Very high95.7Very high132 Ų13254.1 Ų54.152%0.51826%0.259SS..Hα-helixtrans-58.7-47176.6-179.6-89.4000111.2I217 H225I217-Y221 VanDerWaalsContact O-CB 3.32Å; I217-Y221 WeakPolarHBondContact O-CB 3.38Å; I217-Y221 PolarHBondContact O-N 3.34Å; Y221-H225 AromaticContact CD2-CE1 3.31Å; Y221-H225 WeakPolarHBondContact CD2-CE1 3.47Å; Y221-H225 AromaticContact CD2-ND1 3.58Å; Y221-H225 AromaticContact CE2-CE1 3.1Å; Y221-H225 WeakPolarHBondContact CE2-CE1 3.41Å; Y221-H225 AromaticContact CE2-ND1 3.55Å; Y221-H225 AromaticContact CE2-NE2 3.6Å; Y221-H225 AromaticContact CG-ND1 3.82Å; Y221-H225 AromaticContact CZ-CE1 3.69Å; Y221-H225 AromaticContact CZ-ND1 3.76Å; Y221-H225 AromaticContact CZ-NE2 3.95Å; Y221-H225 PolarHBondContact O-N 2.9Å; Y221-H225 PolarHBondContact O-ND1 3.14Å
222F94.7Very high95.7Very high12 Ų1253.3 Ų53.35%0.05326%0.256CS..Hα-helixtrans-63.1-52.5-177.8-178.3-115.7000112.3V144 K147 L155 L158 E218 E219 S220 K224 H225 Y226 M227V144-F222 HydrophobicContact CB-CE1 4.43Å; V144-F222 HydrophobicContact CG1-CE1 4.01Å; V144-F222 HydrophobicContact CG2-CE1 3.94Å; V144-F222 HydrophobicContact CG2-CZ 4.06Å; K147-F222 HydrophobicContact CG-CD2 4.3Å; K147-F222 HydrophobicContact CG-CE2 3.94Å; K147-F222 HydrophobicContact CG-CZ 4.37Å; L155-F222 HydrophobicContact CD1-CD2 4.41Å; L155-F222 HydrophobicContact CD1-CE2 3.98Å; L155-F222 HydrophobicContact CD2-CE2 3.74Å; L155-F222 HydrophobicContact CD2-CZ 4.29Å; L155-F222 HydrophobicContact CG-CE2 4.46Å; L158-F222 HydrophobicContact CD2-CE1 4.47Å; L158-F222 HydrophobicContact CD2-CE2 4.16Å; L158-F222 HydrophobicContact CD2-CZ 3.58Å; E218-F222 VanDerWaalsContact O-CB 3.23Å; E218-F222 WeakPolarHBondContact O-CB 3.35Å; E218-F222 PolarHBondContact O-N 3.14Å; E219-F222 PolarHBondContact O-N 2.89Å; S220-F222 VanDerWaalsContact C-N 3.33Å; S220-F222 PolarHBondContact O-N 2.91Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 2.96Å; F222-H225 PolarHBondContact O-N 3.38Å; F222-Y226 AromaticContact CD2-CD2 3.48Å; F222-Y226 HydrophobicContact CD2-CD2 3.48Å; F222-Y226 VanDerWaalsContact CD2-CD2 3.48Å; F222-Y226 AromaticContact CD2-CE2 3.96Å; F222-Y226 HydrophobicContact CD2-CE2 3.96Å; F222-Y226 HydrophobicContact CD2-CG 4.42Å; F222-Y226 AromaticContact CE2-CD2 3.76Å; F222-Y226 HydrophobicContact CE2-CD2 3.76Å; F222-Y226 HydrophobicContact CE2-CE2 4.35Å; F222-Y226 HydrophobicContact CE2-CG 4.31Å; F222-Y226 HydrophobicContact CG-CD2 4.39Å; F222-Y226 VanDerWaalsContact O-CD2 3.27Å; F222-Y226 WeakPolarHBondContact O-CD2 3.37Å; F222-Y226 PolarHBondContact O-N 3.41Å; F222-M227 HydrophobicContact CD1-CE 4.07Å; F222-M227 HydrophobicContact CE1-CE 3.5Å; F222-M227 VanDerWaalsContact CE1-CE 3.5Å; F222-M227 HydrophobicContact CZ-CE 4.22Å
223A96Very high95.7Very high0 Ų057.1 Ų57.10%028%0.282CS..Hα-helixtrans-60.8-43.6179.600000111.5E219 H225 M227 E232 V235E219-A223 WeakPolarHBondContact O-CB 3.27Å; E219-A223 PolarHBondContact O-N 3.39Å; A223-H225 VanDerWaalsContact C-N 3.34Å; A223-H225 PolarHBondContact O-N 3.45Å; A223-M227 HydrophobicContact CB-SD 4.45Å; A223-M227 WeakPolarHBondContact O-CA 3.38Å; A223-M227 VanDerWaalsContact O-CB 3.27Å; A223-M227 WeakPolarHBondContact O-CB 3.41Å; A223-M227 PolarHBondContact O-N 2.87Å; A223-E232 HydrophobicContact CB-CB 4.13Å; A223-E232 HydrophobicContact CB-CG 4.49Å; A223-V235 HydrophobicContact CB-CG1 3.84Å
224K95.3Very high95.8Very high133 Ų13357.2 Ų57.258%0.57828%0.279SS*.Hα-helixtrans-62.8-34.7-178.5-172.7173.5-175.3169.50114.3S220 F222S220-K224 WeakPolarHBondContact O-CB 3.49Å; S220-K224 PolarHBondContact O-N 3.35Å; F222-K224 VanDerWaalsContact C-N 3.33Å; F222-K224 PolarHBondContact O-N 2.96Å
225H94.4Very high95.9Very high79 Ų7952.6 Ų52.637%0.36626%0.257SS..Hα-helixtrans-91.1-27.7-174.4-71.681.5000114K159 Y221 F222 A223K159-H225 PolarHBondContact NZ-O 3.35Å; Y221-H225 AromaticContact CD2-CE1 3.31Å; Y221-H225 WeakPolarHBondContact CD2-CE1 3.47Å; Y221-H225 AromaticContact CD2-ND1 3.58Å; Y221-H225 AromaticContact CE2-CE1 3.1Å; Y221-H225 WeakPolarHBondContact CE2-CE1 3.41Å; Y221-H225 AromaticContact CE2-ND1 3.55Å; Y221-H225 AromaticContact CE2-NE2 3.6Å; Y221-H225 AromaticContact CG-ND1 3.82Å; Y221-H225 AromaticContact CZ-CE1 3.69Å; Y221-H225 AromaticContact CZ-ND1 3.76Å; Y221-H225 AromaticContact CZ-NE2 3.95Å; Y221-H225 PolarHBondContact O-N 2.9Å; Y221-H225 PolarHBondContact O-ND1 3.14Å; F222-H225 PolarHBondContact O-N 3.38Å; A223-H225 VanDerWaalsContact C-N 3.34Å; A223-H225 PolarHBondContact O-N 3.45Å
226Y95Very high96Very high57 Ų5752 Ų5222%0.22426%0.256CS..Hα-helixtrans-119.1-10.8-170.1-56.6-73.9000114.4L155 K159 F222L155-Y226 HydrophobicContact CB-CD1 3.6Å; L155-Y226 HydrophobicContact CB-CE1 3.35Å; L155-Y226 HydrophobicContact CB-CE2 4.46Å; L155-Y226 HydrophobicContact CB-CG 4.26Å; L155-Y226 HydrophobicContact CD1-CD1 4.44Å; L155-Y226 HydrophobicContact CD1-CD2 4.13Å; L155-Y226 HydrophobicContact CD1-CE1 3.91Å; L155-Y226 HydrophobicContact CD1-CE2 3.57Å; L155-Y226 VanDerWaalsContact CD1-CZ 3.43Å; L155-Y226 HydrophobicContact CG-CE1 4.28Å; K159-Y226 HydrophobicContact CB-CD1 4.35Å; F222-Y226 AromaticContact CD2-CD2 3.48Å; F222-Y226 HydrophobicContact CD2-CD2 3.48Å; F222-Y226 VanDerWaalsContact CD2-CD2 3.48Å; F222-Y226 AromaticContact CD2-CE2 3.96Å; F222-Y226 HydrophobicContact CD2-CE2 3.96Å; F222-Y226 HydrophobicContact CD2-CG 4.42Å; F222-Y226 AromaticContact CE2-CD2 3.76Å; F222-Y226 HydrophobicContact CE2-CD2 3.76Å; F222-Y226 HydrophobicContact CE2-CE2 4.35Å; F222-Y226 HydrophobicContact CE2-CG 4.31Å; F222-Y226 HydrophobicContact CG-CD2 4.39Å; F222-Y226 VanDerWaalsContact O-CD2 3.27Å; F222-Y226 WeakPolarHBondContact O-CD2 3.37Å; F222-Y226 PolarHBondContact O-N 3.41Å
227M95.4Very high96Very high17 Ų1755 Ų558%0.08428%0.277CS..SBendtrans-123.5-178.1-178.9-54.4-173.2-175.900111.7V144 F180 F184 F222 A223 T231V144-M227 HydrophobicContact CG2-CE 4.01Å; F180-M227 HydrophobicContact CE1-CE 4.28Å; F180-M227 HydrophobicContact CE1-CG 4.44Å; F180-M227 HydrophobicContact CE1-SD 3.99Å; F180-M227 HydrophobicContact CZ-CE 3.92Å; F180-M227 HydrophobicContact CZ-SD 4.25Å; F184-M227 HydrophobicContact CD1-SD 4.23Å; F184-M227 HydrophobicContact CD2-CE 4.14Å; F184-M227 HydrophobicContact CE1-CE 4.2Å; F184-M227 HydrophobicContact CE1-SD 3.71Å; F184-M227 HydrophobicContact CE2-CE 3.65Å; F184-M227 HydrophobicContact CE2-SD 4.27Å; F184-M227 HydrophobicContact CZ-CE 3.66Å; F184-M227 HydrophobicContact CZ-SD 3.73Å; F222-M227 HydrophobicContact CD1-CE 4.07Å; F222-M227 HydrophobicContact CE1-CE 3.5Å; F222-M227 VanDerWaalsContact CE1-CE 3.5Å; F222-M227 HydrophobicContact CZ-CE 4.22Å; A223-M227 HydrophobicContact CB-SD 4.45Å; A223-M227 WeakPolarHBondContact O-CA 3.38Å; A223-M227 VanDerWaalsContact O-CB 3.27Å; A223-M227 WeakPolarHBondContact O-CB 3.41Å; A223-M227 PolarHBondContact O-N 2.87Å; M227-T231 HydrophobicContact CB-CG2 4.26Å; M227-T231 HydrophobicContact SD-CG2 3.76Å
228D94Very high96Very high30 Ų3052.2 Ų52.216%0.1627%0.265CS..  trans-67.5148.8173.7177.4-113.6000111.8M166 R173 Y176 K230 T231M166-D228 HydrophobicContact CE-CB 4.26Å; M166-D228 HydrophobicContact SD-CB 4.13Å; R173-D228 IonicContact CZ-OD1 3.37Å; R173-D228 IonicContact NE-OD1 3.21Å; R173-D228 PolarHBondContact NE-OD1 3.39Å; R173-D228 IonicContact NH2-OD1 3.6Å; R173-D228 PolarHBondContact NH2-OD1 2.91Å; Y176-D228 HydrophobicContact CE1-CB 3.94Å; D228-K230 PolarHBondContact O-N 3.19Å; D228-K230 VanDerWaalsContact O-N 3.13Å; D228-K230 WeakPolarHBondContact OD1-CB 3.23Å; D228-K230 PolarHBondContact OD1-N 3.36Å; D228-T231 VanDerWaalsContact O-CB 3.29Å; D228-T231 WeakPolarHBondContact O-CB 3.45Å; D228-T231 PolarHBondContact O-N 2.95Å; D228-T231 PolarHBondContact O-OG1 3.25Å
229S91.1Very high96.1Very high90 Ų9048.6 Ų48.663%0.62925%0.248SC*.Hα-helixtrans-55.2-31.6-178.859.60000114.2
230K94.6Very high96.2Very high119 Ų11949.7 Ų49.752%0.51725%0.253SS..Hα-helixtrans-83.4-13.7177.8-62.6179.8177.7-179.80113.1D228 E232 C233 K234D228-K230 PolarHBondContact O-N 3.19Å; D228-K230 VanDerWaalsContact O-N 3.13Å; D228-K230 WeakPolarHBondContact OD1-CB 3.23Å; D228-K230 PolarHBondContact OD1-N 3.36Å; K230-E232 VanDerWaalsContact C-N 3.33Å; K230-C233 PolarHBondContact O-SG 3.11Å; K230-K234 WeakPolarHBondContact O-CG 3.19Å
231T96.8Very high96.3Very high0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-72.4-32.2178.7-50.20000111Y176 E181 F184 M227 D228 C233 K234 V235Y176-T231 WeakPolarHBondContact CE1-OG1 3.33Å; Y176-T231 PolarHBondContact OH-OG1 3.1Å; E181-T231 HydrophobicContact CG-CG2 3.99Å; E181-T231 PolarHBondContact OE1-OG1 2.67Å; E181-T231 VanDerWaalsContact OE1-OG1 3.11Å; F184-T231 HydrophobicContact CD1-CG2 4.05Å; F184-T231 HydrophobicContact CE1-CG2 3.7Å; M227-T231 HydrophobicContact CB-CG2 4.26Å; M227-T231 HydrophobicContact SD-CG2 3.76Å; D228-T231 VanDerWaalsContact O-CB 3.29Å; D228-T231 WeakPolarHBondContact O-CB 3.45Å; D228-T231 PolarHBondContact O-N 2.95Å; D228-T231 PolarHBondContact O-OG1 3.25Å; T231-C233 PolarHBondContact O-N 3.33Å; T231-K234 PolarHBondContact O-N 3.38Å; T231-V235 PolarHBondContact O-N 2.93Å
232E96.9Very high96.4Very high46 Ų4644.9 Ų44.922%0.21524%0.238CC..Hα-helixtrans-54.6-53.6178-176.8-175.5-178.700111.5S220 A223 K230 K234 V235 I236S220-E232 PolarHBondContact OG-OE1 3.4Å; A223-E232 HydrophobicContact CB-CB 4.13Å; A223-E232 HydrophobicContact CB-CG 4.49Å; K230-E232 VanDerWaalsContact C-N 3.33Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 2.92Å; E232-V235 WeakPolarHBondContact O-CG1 3.3Å; E232-V235 PolarHBondContact O-N 3.17Å; E232-I236 WeakPolarHBondContact O-CB 3.46Å; E232-I236 VanDerWaalsContact O-CG1 3.28Å; E232-I236 WeakPolarHBondContact O-CG1 3.34Å; E232-I236 PolarHBondContact O-N 3.01Å; E232-I236 VanDerWaalsContact O-N 3.1Å
233C96.9Very high96.6Very high79 Ų7944.3 Ų44.353%0.53424%0.236SC..Hα-helixtrans-64.7-38.5-179.160.70000112K230 T231 S237K230-C233 PolarHBondContact O-SG 3.11Å; T231-C233 PolarHBondContact O-N 3.33Å; C233-S237 PolarHBondContact O-N 2.9Å; C233-S237 PolarHBondContact O-OG 2.76Å; C233-S237 VanDerWaalsContact O-OG 3.04Å
234K98.1Very high96.7Very high71 Ų7144.5 Ų44.531%0.30924%0.237SC..Hα-helixtrans-64.6-46.5179.3-66.4-177.2-173.3-173.50112.4E177 E181 L185 K230 T231 E232 S237 V238E177-K234 IonicContact OE1-NZ 3.67Å; E177-K234 PolarHBondContact OE1-NZ 2.97Å; E181-K234 IonicContact OE1-NZ 3.48Å; E181-K234 IonicContact OE2-NZ 2.81Å; E181-K234 PolarHBondContact OE2-NZ 3.35Å; L185-K234 HydrophobicContact CD1-CB 3.98Å; L185-K234 HydrophobicContact CD1-CD 4.11Å; L185-K234 HydrophobicContact CD2-CB 3.98Å; K230-K234 WeakPolarHBondContact O-CG 3.19Å; T231-K234 PolarHBondContact O-N 3.38Å; E232-K234 VanDerWaalsContact C-N 3.33Å; E232-K234 PolarHBondContact O-N 2.92Å; K234-S237 PolarHBondContact O-N 3.36Å; K234-V238 WeakPolarHBondContact O-CG2 3.36Å; K234-V238 PolarHBondContact O-N 3.22Å; K234-V238 VanDerWaalsContact O-N 3.08Å
235V98.2Very high96.8Very high0 Ų040.5 Ų40.50%023%0.226CC..Hα-helixtrans-69.4-36.3-179.7710000112F184 L185 F192 A223 T231 E232 S237 V238 L239F184-V235 HydrophobicContact CE1-CB 3.89Å; F184-V235 HydrophobicContact CE1-CG2 3.88Å; F184-V235 HydrophobicContact CZ-CB 4.08Å; F184-V235 HydrophobicContact CZ-CG2 3.65Å; L185-V235 HydrophobicContact CD2-CB 3.96Å; L185-V235 HydrophobicContact CD2-CG2 4.45Å; F192-V235 HydrophobicContact CE2-CG2 4.09Å; F192-V235 HydrophobicContact CZ-CG2 4.22Å; A223-V235 HydrophobicContact CB-CG1 3.84Å; T231-V235 PolarHBondContact O-N 2.93Å; E232-V235 WeakPolarHBondContact O-CG1 3.3Å; E232-V235 PolarHBondContact O-N 3.17Å; V235-S237 VanDerWaalsContact C-N 3.35Å; V235-V238 PolarHBondContact O-N 2.83Å; V235-L239 PolarHBondContact O-N 2.98Å
236I98.2Very high96.9Very high16 Ų1642.2 Ų42.28%0.08223%0.232CC..Hα-helixtrans-64.8-41174.8-66.3-57000110.7I216 E219 E232 V238 L239 E240I216-I236 HydrophobicContact CG2-CD1 4.34Å; E219-I236 HydrophobicContact CB-CD1 4.08Å; E232-I236 WeakPolarHBondContact O-CB 3.46Å; E232-I236 VanDerWaalsContact O-CG1 3.28Å; E232-I236 WeakPolarHBondContact O-CG1 3.34Å; E232-I236 PolarHBondContact O-N 3.01Å; E232-I236 VanDerWaalsContact O-N 3.1Å; I236-V238 VanDerWaalsContact C-N 3.3Å; I236-V238 PolarHBondContact O-N 2.96Å; I236-L239 WeakPolarHBondContact O-CB 3.31Å; I236-L239 PolarHBondContact O-N 2.96Å; I236-L239 VanDerWaalsContact O-N 3.17Å; I236-E240 HydrophobicContact CG2-CG 4.2Å; I236-E240 WeakPolarHBondContact O-CB 3.49Å; I236-E240 VanDerWaalsContact O-CG 3.28Å; I236-E240 WeakPolarHBondContact O-CG 3.26Å; I236-E240 PolarHBondContact O-N 3.06Å
237S98Very high97Very high69 Ų6940.7 Ų40.748%0.48323%0.227SC..Hα-helixtrans-61.8-36.6173.6-63.40000112.9C233 K234 V235 A241C233-S237 PolarHBondContact O-N 2.9Å; C233-S237 PolarHBondContact O-OG 2.76Å; C233-S237 VanDerWaalsContact O-OG 3.04Å; K234-S237 PolarHBondContact O-N 3.36Å; V235-S237 VanDerWaalsContact C-N 3.35Å; S237-A241 WeakPolarHBondContact O-CB 3.37Å; S237-A241 PolarHBondContact O-N 3.2Å
238V98.5Very high97Very high32 Ų3240.5 Ų40.519%0.19423%0.226CC..Hα-helixtrans-65.4-43.4173.5174.60000111L185 A189 F192 K234 V235 I236 A241 E242L185-V238 HydrophobicContact CB-CG2 4.48Å; L185-V238 HydrophobicContact CD2-CG2 4.1Å; A189-V238 HydrophobicContact CB-CG1 3.64Å; F192-V238 HydrophobicContact CD2-CG1 4.13Å; F192-V238 HydrophobicContact CE2-CG1 4.41Å; K234-V238 WeakPolarHBondContact O-CG2 3.36Å; K234-V238 PolarHBondContact O-N 3.22Å; K234-V238 VanDerWaalsContact O-N 3.08Å; V235-V238 PolarHBondContact O-N 2.83Å; I236-V238 VanDerWaalsContact C-N 3.3Å; I236-V238 PolarHBondContact O-N 2.96Å; V238-A241 PolarHBondContact O-N 2.84Å; V238-E242 HydrophobicContact CG1-CG 4.41Å; V238-E242 WeakPolarHBondContact O-CG 3.45Å; V238-E242 PolarHBondContact O-N 2.98Å
239L98.5Very high97.1Very high0 Ų042.7 Ų42.70%024%0.238CC..Hα-helixtrans-61-48.4175.6-172.7164.1000111.2F192 V212 R215 I216 E219 V235 I236 A241 E242 M243F192-L239 HydrophobicContact CD1-CD1 4.46Å; F192-L239 HydrophobicContact CD1-CG 4.33Å; F192-L239 HydrophobicContact CD2-CB 3.87Å; F192-L239 HydrophobicContact CD2-CG 4.31Å; F192-L239 HydrophobicContact CE1-CD1 4.01Å; F192-L239 HydrophobicContact CE1-CG 4.29Å; F192-L239 HydrophobicContact CE2-CB 3.68Å; F192-L239 HydrophobicContact CE2-CD1 4.46Å; F192-L239 HydrophobicContact CE2-CG 4.25Å; F192-L239 HydrophobicContact CG-CB 4.42Å; F192-L239 HydrophobicContact CG-CG 4.38Å; F192-L239 HydrophobicContact CZ-CB 4.07Å; F192-L239 HydrophobicContact CZ-CD1 4.02Å; F192-L239 HydrophobicContact CZ-CG 4.26Å; V212-L239 HydrophobicContact CG1-CD2 4.17Å; R215-L239 HydrophobicContact CB-CD1 4.31Å; R215-L239 HydrophobicContact CG-CD1 3.82Å; I216-L239 HydrophobicContact CD1-CD2 4.1Å; I216-L239 HydrophobicContact CG1-CD1 4.07Å; I216-L239 HydrophobicContact CG1-CD2 3.45Å; I216-L239 VanDerWaalsContact CG1-CD2 3.45Å; I216-L239 HydrophobicContact CG1-CG 4.42Å; E219-L239 HydrophobicContact CB-CD1 4.27Å; E219-L239 HydrophobicContact CG-CD1 4.09Å; V235-L239 PolarHBondContact O-N 2.98Å; I236-L239 WeakPolarHBondContact O-CB 3.31Å; I236-L239 PolarHBondContact O-N 2.96Å; I236-L239 VanDerWaalsContact O-N 3.17Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.86Å; L239-E242 PolarHBondContact O-N 3.04Å; L239-M243 HydrophobicContact CD1-SD 4.41Å; L239-M243 HydrophobicContact CD2-CB 4.2Å; L239-M243 HydrophobicContact CD2-CG 4.21Å; L239-M243 HydrophobicContact CD2-SD 3.92Å; L239-M243 HydrophobicContact CG-CG 4.23Å; L239-M243 HydrophobicContact CG-SD 3.79Å; L239-M243 WeakPolarHBondContact O-CB 3.4Å; L239-M243 PolarHBondContact O-N 3.24Å
240E98.2Very high97.4Very high28 Ų2841 Ų4113%0.13123%0.229CC..Iπ-helixtrans-58.9-43.3178-71.5171.4159.200111.2I236 I244 S245 R280 V281I236-E240 HydrophobicContact CG2-CG 4.2Å; I236-E240 WeakPolarHBondContact O-CB 3.49Å; I236-E240 VanDerWaalsContact O-CG 3.28Å; I236-E240 WeakPolarHBondContact O-CG 3.26Å; I236-E240 PolarHBondContact O-N 3.06Å; E240-I244 HydrophobicContact CB-CD1 4.32Å; E240-I244 HydrophobicContact CG-CD1 4.02Å; E240-I244 CarbonylContact O-C 3.51Å; E240-I244 WeakPolarHBondContact O-CA 3.42Å; E240-I244 VanDerWaalsContact O-CB 3.26Å; E240-I244 WeakPolarHBondContact O-CB 3.34Å; E240-I244 PolarHBondContact O-N 3.26Å; E240-S245 PolarHBondContact O-N 3.06Å; E240-R280 HydrophobicContact CG-CB 4.46Å; E240-R280 IonicContact OE1-CZ 2.61Å; E240-R280 IonicContact OE1-NH1 3.8Å; E240-R280 PolarHBondContact OE1-NH1 3.3Å; E240-V281 HydrophobicContact CB-CG1 4.16Å
241A98.1Very high97.5Very high40 Ų4035.7 Ų35.733%0.33121%0.207SC..Iπ-helixtrans-62.9-48.6176.600000112.6S237 V238 L239 S245 K246S237-A241 WeakPolarHBondContact O-CB 3.37Å; S237-A241 PolarHBondContact O-N 3.2Å; V238-A241 PolarHBondContact O-N 2.84Å; L239-A241 VanDerWaalsContact C-N 3.31Å; L239-A241 PolarHBondContact O-N 2.86Å; A241-S245 WeakPolarHBondContact O-CB 3.48Å; A241-K246 WeakPolarHBondContact O-CG 3.2Å; A241-K246 PolarHBondContact O-N 3.05Å
242E98Very high97.5Very high25 Ų2535.8 Ų35.812%0.11721%0.207CC..Iπ-helixtrans-77.5-39.2-174.6-67.4-58.1142.200113.5A189 F192 V238 L239 K246 H247A189-E242 HydrophobicContact CB-CG 4.19Å; F192-E242 HydrophobicContact CB-CB 3.82Å; F192-E242 HydrophobicContact CB-CG 4.4Å; V238-E242 HydrophobicContact CG1-CG 4.41Å; V238-E242 WeakPolarHBondContact O-CG 3.45Å; V238-E242 PolarHBondContact O-N 2.98Å; L239-E242 PolarHBondContact O-N 3.04Å; E242-K246 WeakPolarHBondContact OE1-CE 3.28Å; E242-K246 IonicContact OE1-NZ 3.2Å; E242-K246 PolarHBondContact OE1-NZ 2.88Å; E242-K246 WeakPolarHBondContact OE2-CE 3.47Å; E242-K246 IonicContact OE2-NZ 4Å; E242-K246 PolarHBondContact OE2-NZ 2.9Å; E242-H247 PolarHBondContact O-CD2 2.98Å; E242-H247 PolarHBondContact O-NE2 3.4Å
243M98.2Very high97.4Very high0 Ų039.6 Ų39.60%023%0.225CC..Iπ-helixtrans-100.6-21.2-173-51.3-169.183.900113.8F192 E195 Y199 Y208 V212 R215 L239F192-M243 HydrophobicContact CB-CG 3.82Å; F192-M243 HydrophobicContact CB-SD 4.16Å; F192-M243 HydrophobicContact CD1-SD 4.02Å; F192-M243 HydrophobicContact CG-CG 4.41Å; F192-M243 HydrophobicContact CG-SD 4.29Å; E195-M243 HydrophobicContact CB-CE 4.35Å; E195-M243 HydrophobicContact CG-CE 4.03Å; Y199-M243 HydrophobicContact CD2-CE 4.03Å; Y199-M243 HydrophobicContact CE2-CE 3.89Å; Y208-M243 WeakPolarHBondContact CE1-O 3.26Å; Y208-M243 PolarHBondContact OH-O 3.1Å; V212-M243 HydrophobicContact CG1-CB 4.03Å; V212-M243 HydrophobicContact CG2-CB 4.12Å; V212-M243 HydrophobicContact CG2-CE 4.02Å; R215-M243 HydrophobicContact CG-SD 4.35Å; L239-M243 HydrophobicContact CD1-SD 4.41Å; L239-M243 HydrophobicContact CD2-CB 4.2Å; L239-M243 HydrophobicContact CD2-CG 4.21Å; L239-M243 HydrophobicContact CD2-SD 3.92Å; L239-M243 HydrophobicContact CG-CG 4.23Å; L239-M243 HydrophobicContact CG-SD 3.79Å; L239-M243 WeakPolarHBondContact O-CB 3.4Å; L239-M243 PolarHBondContact O-N 3.24Å
244I98Very high97.3Very high4 Ų437.3 Ų37.32%0.02121%0.207CC..Iπ-helixtrans-111.3-60.6179.7-48.7174.1000109.7V212 I216 E240 K246 H247 M248 L277 L278 R280 V281V212-I244 HydrophobicContact CG1-CG1 4.03Å; I216-I244 HydrophobicContact CD1-CD1 4.26Å; E240-I244 HydrophobicContact CB-CD1 4.32Å; E240-I244 HydrophobicContact CG-CD1 4.02Å; E240-I244 CarbonylContact O-C 3.51Å; E240-I244 WeakPolarHBondContact O-CA 3.42Å; E240-I244 VanDerWaalsContact O-CB 3.26Å; E240-I244 WeakPolarHBondContact O-CB 3.34Å; E240-I244 PolarHBondContact O-N 3.26Å; I244-K246 PolarHBondContact O-N 3.21Å; I244-H247 PolarHBondContact O-N 3.28Å; I244-H247 VanDerWaalsContact O-N 3.11Å; I244-M248 WeakPolarHBondContact O-CB 3.28Å; I244-M248 PolarHBondContact O-N 3.19Å; I244-L277 HydrophobicContact CD1-CD1 3.45Å; I244-L277 VanDerWaalsContact CD1-CD1 3.45Å; I244-L277 HydrophobicContact CD1-CG 3.86Å; I244-L277 HydrophobicContact CG1-CD1 3.99Å; I244-L277 HydrophobicContact CG1-CD2 4.46Å; I244-L277 HydrophobicContact CG1-CG 4.12Å; I244-L277 HydrophobicContact CG2-CG 4.41Å; I244-L278 HydrophobicContact CG2-CD2 4.36Å; I244-R280 HydrophobicContact CD1-CB 4.29Å; I244-V281 HydrophobicContact CB-CG1 4.06Å; I244-V281 HydrophobicContact CG2-CG1 3.98Å; I244-V281 HydrophobicContact CG2-CG2 3.77Å
245S97.6Very high97Very high49 Ų4943 Ų4334%0.34323%0.234SC..Iπ-helixtrans-59.5-44.9-170.6-62.70000113.4E240 A241 H247 V281E240-S245 PolarHBondContact O-N 3.06Å; A241-S245 WeakPolarHBondContact O-CB 3.48Å; S245-H247 VanDerWaalsContact C-N 3.29Å; S245-H247 PolarHBondContact O-N 2.94Å; S245-V281 WeakPolarHBondContact OG-CG1 3.32Å
246K97.3Very high96.6Very high115 Ų11547 Ų4750%0.526%0.262SS..THydrogen-bonded Turntrans-70.2-23.8-179.9-71.1-179.3-172.4178.70114.1A241 E242 I244A241-K246 WeakPolarHBondContact O-CG 3.2Å; A241-K246 PolarHBondContact O-N 3.05Å; E242-K246 WeakPolarHBondContact OE1-CE 3.28Å; E242-K246 IonicContact OE1-NZ 3.2Å; E242-K246 PolarHBondContact OE1-NZ 2.88Å; E242-K246 WeakPolarHBondContact OE2-CE 3.47Å; E242-K246 IonicContact OE2-NZ 4Å; E242-K246 PolarHBondContact OE2-NZ 2.9Å; I244-K246 PolarHBondContact O-N 3.21Å
247H96.5Very high96.5Very high24 Ų2446.4 Ų46.411%0.11126%0.26CS..THydrogen-bonded Turntrans-118.1-4-168.2-59.7-51.9000114.3S196 N197 L200 Y208 E242 I244 S245 N249 A250 V251S196-H247 WeakPolarHBondContact CB-NE2 3.46Å; S196-H247 PolarHBondContact OG-NE2 3.13Å; N197-H247 PolarHBondContact OD1-CE1 2.91Å; L200-H247 HydrophobicContact CD1-CB 4.12Å; L200-H247 VanDerWaalsContact CD1-ND1 3.31Å; L200-H247 WeakPolarHBondContact CD1-ND1 3.28Å; Y208-H247 PolarHBondContact OH-CD2 2.65Å; Y208-H247 VanDerWaalsContact OH-CD2 3.3Å; E242-H247 PolarHBondContact O-CD2 2.98Å; E242-H247 PolarHBondContact O-NE2 3.4Å; I244-H247 PolarHBondContact O-N 3.28Å; I244-H247 VanDerWaalsContact O-N 3.11Å; S245-H247 VanDerWaalsContact C-N 3.29Å; S245-H247 PolarHBondContact O-N 2.94Å; H247-N249 VanDerWaalsContact C-N 3.29Å; H247-N249 PolarHBondContact O-N 2.99Å; H247-A250 PolarHBondContact O-N 3.14Å; H247-A250 VanDerWaalsContact O-N 3.11Å; H247-V251 HydrophobicContact CB-CG2 4.42Å; H247-V251 WeakPolarHBondContact O-CG2 3.29Å; H247-V251 PolarHBondContact O-N 3.28Å
248M96.1Very high96.4Very high13 Ų1343.1 Ų43.16%0.06424%0.237CC..Hα-helixtrans-54.5-42-174.364.7173.487.300113.2I244 V251 V252 L278 V281 E283 V287I244-M248 WeakPolarHBondContact O-CB 3.28Å; I244-M248 PolarHBondContact O-N 3.19Å; M248-V251 PolarHBondContact O-N 3.46Å; M248-V252 VanDerWaalsContact O-CB 3.28Å; M248-V252 WeakPolarHBondContact O-CB 3.17Å; M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 2.89Å; M248-L278 HydrophobicContact CB-CD2 3.66Å; M248-V281 HydrophobicContact CE-CB 4.41Å; M248-V281 HydrophobicContact CE-CG2 3.62Å; M248-E283 HydrophobicContact CE-CB 4.25Å; M248-E283 HydrophobicContact SD-CB 4.29Å; M248-V287 HydrophobicContact CG-CG1 4.48Å; M248-V287 HydrophobicContact CG-CG2 4.15Å; M248-V287 HydrophobicContact SD-CB 4.06Å; M248-V287 HydrophobicContact SD-CG2 3.49Å; M248-V287 WeakPolarHBondContact SD-CG2 3.48Å
249N96.5Very high96.3Very high77 Ų7741.6 Ų41.641%0.41223%0.227SC..Hα-helixtrans-64.9-49.5178.7-65.9-56.9000110.8H247 V251 V252 E253 V287H247-N249 VanDerWaalsContact C-N 3.29Å; H247-N249 PolarHBondContact O-N 2.99Å; N249-V251 VanDerWaalsContact C-N 3.28Å; N249-V251 PolarHBondContact O-N 3.33Å; N249-V252 PolarHBondContact O-N 3.48Å; N249-E253 VanDerWaalsContact O-CB 3.26Å; N249-E253 WeakPolarHBondContact O-CB 3.24Å; N249-E253 WeakPolarHBondContact O-CG 3.13Å; N249-E253 PolarHBondContact O-N 2.95Å; N249-V287 VanDerWaalsContact OD1-CG1 3.31Å; N249-V287 WeakPolarHBondContact OD1-CG1 3.36Å; N249-V287 WeakPolarHBondContact OD1-CG2 3.27Å
250A96Very high96.2Very high53 Ų5343.8 Ų43.844%0.43824%0.241SC..Hα-helixtrans-59.1-38.4179.400000112.6H247 M254H247-A250 PolarHBondContact O-N 3.14Å; H247-A250 VanDerWaalsContact O-N 3.11Å; A250-M254 WeakPolarHBondContact O-CB 3.49Å; A250-M254 PolarHBondContact O-N 2.83Å
251V96.9Very high96.1Very high9 Ų943 Ų436%0.05524%0.238CC..Hα-helixtrans-74-43179.2176.70000111.7L200 A205 Y208 I209 H247 M248 N249 M274L200-V251 HydrophobicContact CD2-CG2 3.8Å; A205-V251 HydrophobicContact CB-CG1 3.84Å; A205-V251 WeakPolarHBondContact CB-O 3.05Å; Y208-V251 HydrophobicContact CD1-CG1 4.17Å; Y208-V251 HydrophobicContact CD1-CG2 3.52Å; Y208-V251 HydrophobicContact CE1-CG2 3.62Å; Y208-V251 HydrophobicContact CG-CG2 4.04Å; I209-V251 HydrophobicContact CD1-CG1 3.95Å; I209-V251 HydrophobicContact CG1-CG1 3.92Å; H247-V251 HydrophobicContact CB-CG2 4.42Å; H247-V251 WeakPolarHBondContact O-CG2 3.29Å; H247-V251 PolarHBondContact O-N 3.28Å; M248-V251 PolarHBondContact O-N 3.46Å; N249-V251 VanDerWaalsContact C-N 3.28Å; N249-V251 PolarHBondContact O-N 3.33Å; V251-M274 HydrophobicContact CG1-CE 4.47Å
252V97.4Very high96.1Very high1 Ų141.1 Ų41.11%0.00622%0.222CC..Hα-helixtrans-70.4-40.6-178.4168.40000111.6M248 N249 M254 L259 M274 L278 V287 T291M248-V252 VanDerWaalsContact O-CB 3.28Å; M248-V252 WeakPolarHBondContact O-CB 3.17Å; M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 2.89Å; N249-V252 PolarHBondContact O-N 3.48Å; V252-M254 VanDerWaalsContact C-N 3.34Å; V252-L259 HydrophobicContact CG1-CB 3.97Å; V252-L259 HydrophobicContact CG1-CD2 4.23Å; V252-L259 PolarHBondContact O-N 3.38Å; V252-M274 HydrophobicContact CG2-SD 4.08Å; V252-L278 HydrophobicContact CG2-CD1 3.62Å; V252-L278 HydrophobicContact CG2-CD2 4.43Å; V252-V287 HydrophobicContact CB-CG1 4.15Å; V252-V287 HydrophobicContact CG1-CG1 4.19Å; V252-V287 HydrophobicContact CG2-CG1 4.16Å; V252-T291 HydrophobicContact CG1-CG2 3.83Å; V252-T291 VanDerWaalsContact CG1-OG1 3.32Å; V252-T291 WeakPolarHBondContact CG1-OG1 3.18Å
253E95.5Very high96Very high126 Ų12640.2 Ų40.259%0.58922%0.218SC*.SBendtrans-87.50-175.6-61.6-179.7159.400113.7N249 E255N249-E253 VanDerWaalsContact O-CB 3.26Å; N249-E253 WeakPolarHBondContact O-CB 3.24Å; N249-E253 WeakPolarHBondContact O-CG 3.13Å; N249-E253 PolarHBondContact O-N 2.95Å; E253-E255 PolarHBondContact O-N 2.63Å
254M94.8Very high95.9Very high32 Ų3246.3 Ų46.316%0.15825%0.245CC..  trans-56.5122.2-179-164.5173-7500111.6L200 E203 A205 A250 V252 S256 S257 G258L200-M254 HydrophobicContact CD2-CE 4.4Å; E203-M254 VanDerWaalsContact O-SD 3.34Å; A205-M254 HydrophobicContact CB-SD 4.07Å; A205-M254 PolarHBondContact N-SD 2.97Å; A205-M254 VanDerWaalsContact N-SD 3.39Å; A250-M254 WeakPolarHBondContact O-CB 3.49Å; A250-M254 PolarHBondContact O-N 2.83Å; V252-M254 VanDerWaalsContact C-N 3.34Å; M254-S256 PolarHBondContact O-N 3Å; M254-S257 PolarHBondContact SD-OG 3.1Å; M254-G258 VanDerWaalsContact O-CA 3.27Å; M254-G258 WeakPolarHBondContact O-CA 3.37Å; M254-G258 PolarHBondContact O-N 3.06Å
255E90Very high95.7Very high191 Ų19150.8 Ų50.889%0.89327%0.269SS*.THydrogen-bonded Turntrans-61.8-42.5-167.5-66.5-172.4164.600113.8E253E253-E255 PolarHBondContact O-N 2.63Å
256S90.9Very high95.6Very high82 Ų8251.7 Ų51.757%0.57327%0.27SS*.THydrogen-bonded Turntrans-88.3-21.9-171.961.50000114M254 S261M254-S256 PolarHBondContact O-N 3Å; S256-S261 PolarHBondContact O-OG 3.21Å; S256-S261 VanDerWaalsContact O-OG 3.1Å
257S95.1Very high95.5Very high5 Ų549.2 Ų49.24%0.03526%0.257CS..THydrogen-bonded Turntrans-146.6-6.1-16863.50000115.3E203 N204 A205 M254 M262 R267E203-S257 PolarHBondContact O-OG 3.19Å; N204-S257 WeakPolarHBondContact CA-OG 3.3Å; A205-S257 PolarHBondContact N-OG 3.04Å; M254-S257 PolarHBondContact SD-OG 3.1Å; S257-M262 WeakPolarHBondContact O-CE 3.38Å; S257-M262 WeakPolarHBondContact O-CG 3.45Å; S257-R267 PolarHBondContact O-NH2 3.41Å
258G96Very high95.5Very high0 Ų049.6 Ų49.60%026%0.259CS..SBendtrans-72.3-166.7178.300000113.2M254 V260 S261 M262M254-G258 VanDerWaalsContact O-CA 3.27Å; M254-G258 WeakPolarHBondContact O-CA 3.37Å; M254-G258 PolarHBondContact O-N 3.06Å; G258-V260 VanDerWaalsContact C-N 3.3Å; G258-V260 PolarHBondContact O-N 2.9Å; G258-S261 PolarHBondContact O-N 2.79Å; G258-S261 VanDerWaalsContact O-N 3.14Å; G258-M262 WeakPolarHBondContact O-CG 3.42Å; G258-M262 PolarHBondContact O-N 2.69Å
259L97.2Very high95.5Very high0 Ų055.2 Ų55.20%029%0.289CS..Hα-helixtrans-53.7-46-169.7179.266.8000112.6V252 M262 L263 L271 M274 L288 T291 L292 F337V252-L259 HydrophobicContact CG1-CB 3.97Å; V252-L259 HydrophobicContact CG1-CD2 4.23Å; V252-L259 PolarHBondContact O-N 3.38Å; L259-M262 PolarHBondContact O-N 3.17Å; L259-L263 HydrophobicContact CD1-CD1 4.34Å; L259-L263 HydrophobicContact CD1-CG 4.46Å; L259-L263 HydrophobicContact CG-CD1 4.04Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.92Å; L259-L271 HydrophobicContact CD1-CD2 3.52Å; L259-M274 HydrophobicContact CB-SD 4Å; L259-M274 HydrophobicContact CD1-SD 4Å; L259-L288 HydrophobicContact CD1-CD1 3.6Å; L259-L288 HydrophobicContact CD2-CD1 3.84Å; L259-L288 HydrophobicContact CG-CD1 4.3Å; L259-T291 HydrophobicContact CB-CG2 4.35Å; L259-T291 HydrophobicContact CD2-CG2 3.79Å; L259-L292 HydrophobicContact CD2-CB 4.25Å; L259-F337 HydrophobicContact CD1-CZ 4.45Å
260V96.7Very high95.5Very high46 Ų4652.2 Ų52.228%0.27927%0.273SS..Hα-helixtrans-66.9-40.5-176.3177.20000111.9G258 L263 K264 T291 Y295G258-V260 VanDerWaalsContact C-N 3.3Å; G258-V260 PolarHBondContact O-N 2.9Å; V260-L263 PolarHBondContact O-N 3.24Å; V260-K264 HydrophobicContact CG1-CD 4.32Å; V260-K264 WeakPolarHBondContact O-CG 3.32Å; V260-K264 PolarHBondContact O-N 3Å; V260-K264 VanDerWaalsContact O-N 3.1Å; V260-T291 HydrophobicContact CG2-CG2 4.19Å; V260-Y295 HydrophobicContact CG1-CD2 3.7Å; V260-Y295 HydrophobicContact CG1-CE2 4.11Å; V260-Y295 HydrophobicContact CG1-CG 4.47Å; V260-Y295 HydrophobicContact CG2-CD2 4.46Å
261S96.5Very high95.6Very high11 Ų1149.7 Ų49.78%0.07725%0.252CS..Hα-helixtrans-62.7-48.7173.2154.50000110S256 G258 L263 K264 D265 R267S256-S261 PolarHBondContact O-OG 3.21Å; S256-S261 VanDerWaalsContact O-OG 3.1Å; G258-S261 PolarHBondContact O-N 2.79Å; G258-S261 VanDerWaalsContact O-N 3.14Å; S261-L263 VanDerWaalsContact C-N 3.25Å; S261-L263 PolarHBondContact O-N 2.67Å; S261-K264 PolarHBondContact O-N 2.9Å; S261-D265 WeakPolarHBondContact O-CB 3.27Å; S261-D265 PolarHBondContact O-N 3.44Å; S261-D265 PolarHBondContact OG-OD2 3.1Å; S261-R267 PolarHBondContact OG-NH2 2.95Å
262M97.1Very high95.6Very high0 Ų050.5 Ų50.50%026%0.256CS..Hα-helixtrans-58.1-37.7-179.2-65.2179.7-173.600112.5A205 S206 I209 S257 G258 L259 N266 R267 D270 L271 M274A205-M262 HydrophobicContact CB-CE 4.02Å; S206-M262 WeakPolarHBondContact OG-CE 3.31Å; I209-M262 HydrophobicContact CD1-CE 4.21Å; S257-M262 WeakPolarHBondContact O-CE 3.38Å; S257-M262 WeakPolarHBondContact O-CG 3.45Å; G258-M262 WeakPolarHBondContact O-CG 3.42Å; G258-M262 PolarHBondContact O-N 2.69Å; L259-M262 PolarHBondContact O-N 3.17Å; M262-N266 PolarHBondContact O-N 3.31Å; M262-N266 VanDerWaalsContact O-N 3.17Å; M262-R267 HydrophobicContact CB-CB 4.3Å; M262-R267 PolarHBondContact O-N 3.47Å; M262-D270 HydrophobicContact CE-CB 4.02Å; M262-D270 HydrophobicContact CG-CB 4.32Å; M262-D270 HydrophobicContact SD-CB 3.76Å; M262-L271 HydrophobicContact CB-CD1 4.48Å; M262-L271 HydrophobicContact CB-CD2 3.53Å; M262-L271 HydrophobicContact CB-CG 3.77Å; M262-L271 HydrophobicContact CG-CD2 4.47Å; M262-L271 HydrophobicContact SD-CD2 4.15Å; M262-L271 HydrophobicContact SD-CG 4.46Å; M262-M274 HydrophobicContact CE-CE 3.51Å; M262-M274 HydrophobicContact SD-CE 3.69Å; M262-M274 HydrophobicContact SD-SD 4.42Å
263L96.2Very high95.5Very high6 Ų652.7 Ų52.73%0.03127%0.271CS..Hα-helixtrans-66.9-43.5174.2-71.2168.6000112.5L259 V260 S261 D265 N266 L271 L292 Y295 F332L259-L263 HydrophobicContact CD1-CD1 4.34Å; L259-L263 HydrophobicContact CD1-CG 4.46Å; L259-L263 HydrophobicContact CG-CD1 4.04Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.92Å; V260-L263 PolarHBondContact O-N 3.24Å; S261-L263 VanDerWaalsContact C-N 3.25Å; S261-L263 PolarHBondContact O-N 2.67Å; L263-D265 VanDerWaalsContact C-N 3.34Å; L263-N266 PolarHBondContact O-N 3.11Å; L263-L271 HydrophobicContact CD2-CD1 3.93Å; L263-L271 HydrophobicContact CD2-CD2 4.26Å; L263-L271 HydrophobicContact CG-CD2 4.24Å; L263-L292 HydrophobicContact CD1-CD1 3.71Å; L263-Y295 HydrophobicContact CB-CE1 4.15Å; L263-Y295 HydrophobicContact CD1-CD1 3.7Å; L263-Y295 HydrophobicContact CD1-CE1 3.98Å; L263-Y295 HydrophobicContact CD1-CG 4.35Å; L263-F332 HydrophobicContact CD2-CD1 4.05Å; L263-F332 HydrophobicContact CD2-CD2 3.84Å; L263-F332 HydrophobicContact CD2-CE1 4.21Å; L263-F332 HydrophobicContact CD2-CE2 4Å; L263-F332 HydrophobicContact CD2-CG 3.89Å; L263-F332 HydrophobicContact CD2-CZ 4.19Å; L263-F332 VanDerWaalsContact O-CZ 3.26Å; L263-F332 WeakPolarHBondContact O-CZ 3.1Å
264K94.9Very high95.6Very high129 Ų12946.8 Ų46.856%0.56124%0.244SC*.Hα-helixtrans-65.4-39178.5-73173.9-179.2176.70112.1V260 S261 N266 Y295V260-K264 HydrophobicContact CG1-CD 4.32Å; V260-K264 WeakPolarHBondContact O-CG 3.32Å; V260-K264 PolarHBondContact O-N 3Å; V260-K264 VanDerWaalsContact O-N 3.1Å; S261-K264 PolarHBondContact O-N 2.9Å; K264-N266 VanDerWaalsContact C-N 3.32Å; K264-Y295 HydrophobicContact CG-CE2 4.28Å
265D95.3Very high95.8Very high98 Ų9845.8 Ų45.852%0.52424%0.238SC..THydrogen-bonded Turntrans-89.44.1-175.7-58.9-32.5000113S261 L263 R267S261-D265 WeakPolarHBondContact O-CB 3.27Å; S261-D265 PolarHBondContact O-N 3.44Å; S261-D265 PolarHBondContact OG-OD2 3.1Å; L263-D265 VanDerWaalsContact C-N 3.34Å; D265-R267 VanDerWaalsContact C-N 3.32Å; D265-R267 HydrophobicContact CB-CG 3.97Å; D265-R267 PolarHBondContact O-N 3.04Å
266N95.2Very high96.2Very high68 Ų6843.6 Ų43.636%0.36422%0.222SC..THydrogen-bonded Turntrans54.640.1-177.9-63.9-78.3000113.9M262 L263 K264 F268 R331M262-N266 PolarHBondContact O-N 3.31Å; M262-N266 VanDerWaalsContact O-N 3.17Å; L263-N266 PolarHBondContact O-N 3.11Å; K264-N266 VanDerWaalsContact C-N 3.32Å; N266-F268 HydrophobicContact CB-CE2 3.95Å; N266-F268 WeakPolarHBondContact O-CD2 3.38Å; N266-F268 PolarHBondContact O-N 3.47Å; N266-F268 VanDerWaalsContact O-N 3.07Å; N266-R331 PolarHBondContact OD1-NH2 3.05Å
267R95.7Very high96.5Very high63 Ų6340 Ų4024%0.23820%0.196CC..  trans-84.773.6-178.6-64.4-166-77.3146.7-4.2112S206 S257 S261 M262 D265 D269 D270 L271S206-R267 PolarHBondContact OG-NH1 3.39Å; S257-R267 PolarHBondContact O-NH2 3.41Å; S261-R267 PolarHBondContact OG-NH2 2.95Å; M262-R267 HydrophobicContact CB-CB 4.3Å; M262-R267 PolarHBondContact O-N 3.47Å; D265-R267 VanDerWaalsContact C-N 3.32Å; D265-R267 HydrophobicContact CB-CG 3.97Å; D265-R267 PolarHBondContact O-N 3.04Å; R267-D269 PolarHBondContact O-N 3.11Å; R267-D270 HydrophobicContact CB-CB 4.14Å; R267-D270 IonicContact CZ-OD2 3.58Å; R267-D270 IonicContact NH1-OD2 3.53Å; R267-D270 PolarHBondContact NH1-OD2 3.43Å; R267-D270 PolarHBondContact O-N 3.49Å; R267-L271 WeakPolarHBondContact O-CG 3.49Å; R267-L271 PolarHBondContact O-N 3.21Å
268F96.3Very high96.6Very high31 Ų3140.1 Ų40.114%0.13620%0.196CC..Hα-helixtrans-57-45.7-174.9-70-82.8000114.4N266 D270 L271 N272 R331 F332 E335 A336N266-F268 HydrophobicContact CB-CE2 3.95Å; N266-F268 WeakPolarHBondContact O-CD2 3.38Å; N266-F268 PolarHBondContact O-N 3.47Å; N266-F268 VanDerWaalsContact O-N 3.07Å; F268-D270 PolarHBondContact O-N 3.01Å; F268-L271 PolarHBondContact O-N 3.43Å; F268-N272 PolarHBondContact O-N 3.1Å; F268-R331 HydrophobicContact CE1-CG 3.88Å; F268-R331 HydrophobicContact CZ-CG 3.81Å; F268-F332 AromaticContact CD1-CD1 3.86Å; F268-F332 HydrophobicContact CD1-CD1 3.86Å; F268-F332 HydrophobicContact CD1-CE1 4.18Å; F268-F332 AromaticContact CE1-CD1 3.3Å; F268-F332 HydrophobicContact CE1-CD1 3.3Å; F268-F332 AromaticContact CE1-CE1 3.57Å; F268-F332 HydrophobicContact CE1-CE1 3.57Å; F268-F332 HydrophobicContact CE1-CG 4.16Å; F268-F332 HydrophobicContact CE2-CE1 4.29Å; F268-F332 AromaticContact CZ-CD1 3.83Å; F268-F332 HydrophobicContact CZ-CD1 3.83Å; F268-F332 AromaticContact CZ-CE1 3.61Å; F268-F332 HydrophobicContact CZ-CE1 3.61Å; F268-F332 HydrophobicContact CZ-CZ 4.34Å; F268-E335 HydrophobicContact CD1-CB 3.7Å; F268-E335 HydrophobicContact CE1-CB 4.13Å; F268-E335 HydrophobicContact CG-CB 4.48Å; F268-A336 HydrophobicContact CD1-CB 4.31Å
269D95.8Very high96.6Very high132 Ų13243.9 Ų43.971%0.70622%0.216SC*.Hα-helixtrans-64-43.4-178.5-62.9-41.1000111.6R267 L271 N272 C273R267-D269 PolarHBondContact O-N 3.11Å; D269-L271 PolarHBondContact O-N 2.98Å; D269-N272 PolarHBondContact O-N 3.23Å; D269-C273 PolarHBondContact O-N 2.96Å; D269-C273 PolarHBondContact O-SG 3.37Å; D269-C273 VanDerWaalsContact O-SG 3.36Å
270D96Very high96.6Very high14 Ų1449.2 Ų49.28%0.07524%0.236CC..Hα-helixtrans-64.9-40.5177.8-71.5-17.9000111.4S206 R210 M262 R267 F268 C273 M274S206-D270 WeakPolarHBondContact CB-OD2 3.4Å; S206-D270 PolarHBondContact OG-OD2 3.15Å; R210-D270 IonicContact CZ-OD1 3.66Å; R210-D270 IonicContact NE-OD1 2.71Å; R210-D270 IonicContact NH2-OD1 3.16Å; R210-D270 PolarHBondContact NH2-OD1 2.96Å; R210-D270 IonicContact NH2-OD2 3.7Å; M262-D270 HydrophobicContact CE-CB 4.02Å; M262-D270 HydrophobicContact CG-CB 4.32Å; M262-D270 HydrophobicContact SD-CB 3.76Å; R267-D270 HydrophobicContact CB-CB 4.14Å; R267-D270 IonicContact CZ-OD2 3.58Å; R267-D270 IonicContact NH1-OD2 3.53Å; R267-D270 PolarHBondContact NH1-OD2 3.43Å; R267-D270 PolarHBondContact O-N 3.49Å; F268-D270 PolarHBondContact O-N 3.01Å; D270-C273 PolarHBondContact O-N 3.28Å; D270-M274 WeakPolarHBondContact O-CB 3.44Å; D270-M274 PolarHBondContact O-N 2.87Å
271L97.2Very high96.6Very high0 Ų047.8 Ų47.80%023%0.227CC..Hα-helixtrans-62.4-41.9174.3-71.4168.6000111.8L259 M262 L263 R267 F268 D269 M274 Y275 F332 A336 F337L259-L271 HydrophobicContact CD1-CD2 3.52Å; M262-L271 HydrophobicContact CB-CD1 4.48Å; M262-L271 HydrophobicContact CB-CD2 3.53Å; M262-L271 HydrophobicContact CB-CG 3.77Å; M262-L271 HydrophobicContact CG-CD2 4.47Å; M262-L271 HydrophobicContact SD-CD2 4.15Å; M262-L271 HydrophobicContact SD-CG 4.46Å; L263-L271 HydrophobicContact CD2-CD1 3.93Å; L263-L271 HydrophobicContact CD2-CD2 4.26Å; L263-L271 HydrophobicContact CG-CD2 4.24Å; R267-L271 WeakPolarHBondContact O-CG 3.49Å; R267-L271 PolarHBondContact O-N 3.21Å; F268-L271 PolarHBondContact O-N 3.43Å; D269-L271 PolarHBondContact O-N 2.98Å; L271-M274 PolarHBondContact O-N 3.31Å; L271-Y275 VanDerWaalsContact O-CB 3.29Å; L271-Y275 WeakPolarHBondContact O-CB 3.32Å; L271-Y275 PolarHBondContact O-N 2.88Å; L271-F332 HydrophobicContact CD1-CD1 3.58Å; L271-F332 HydrophobicContact CD1-CE1 3.69Å; L271-A336 HydrophobicContact CB-CB 3.56Å; L271-A336 HydrophobicContact CD1-CB 4.22Å; L271-F337 HydrophobicContact CB-CE1 4.46Å; L271-F337 HydrophobicContact CD2-CZ 4.33Å
272N97.5Very high96.5Very high25 Ų2556.2 Ų56.213%0.13427%0.265CS..Hα-helixtrans-65.6-42.8177.3-174.6-101.6000111.4F268 D269 Y275 R276 A336F268-N272 PolarHBondContact O-N 3.1Å; D269-N272 PolarHBondContact O-N 3.23Å; N272-Y275 PolarHBondContact O-N 3Å; N272-R276 WeakPolarHBondContact O-CB 3.49Å; N272-R276 WeakPolarHBondContact O-CG 3.35Å; N272-R276 PolarHBondContact O-N 3.06Å; N272-R276 WeakPolarHBondContact OD1-CD 3.36Å; N272-R276 PolarHBondContact OD1-NE 3.49Å; N272-A336 WeakPolarHBondContact CA-O 3.48Å; N272-A336 PolarHBondContact ND2-O 3.07Å
273C96.5Very high96.4Very high48 Ų4861 Ų6132%0.32429%0.288SS..Hα-helixtrans-60.4-44.9173.9-70.20000111.7I209 D269 D270 L277I209-C273 HydrophobicContact CG2-CB 3.72Å; D269-C273 PolarHBondContact O-N 2.96Å; D269-C273 PolarHBondContact O-SG 3.37Å; D269-C273 VanDerWaalsContact O-SG 3.36Å; D270-C273 PolarHBondContact O-N 3.28Å; C273-L277 WeakPolarHBondContact O-CB 3.3Å; C273-L277 PolarHBondContact O-N 3.3Å
274M97.8Very high96.4Very high2 Ų260.7 Ų60.71%0.0129%0.286CS..Hα-helixtrans-59.4-49.8176.2-173.6179-80.400111A205 I209 V251 V252 L259 M262 D270 L271 L277 L278 L288A205-M274 HydrophobicContact CB-CE 4.39Å; I209-M274 HydrophobicContact CD1-CB 3.63Å; I209-M274 HydrophobicContact CD1-CE 3.53Å; I209-M274 HydrophobicContact CD1-CG 3.77Å; V251-M274 HydrophobicContact CG1-CE 4.47Å; V252-M274 HydrophobicContact CG2-SD 4.08Å; L259-M274 HydrophobicContact CB-SD 4Å; L259-M274 HydrophobicContact CD1-SD 4Å; M262-M274 HydrophobicContact CE-CE 3.51Å; M262-M274 HydrophobicContact SD-CE 3.69Å; M262-M274 HydrophobicContact SD-SD 4.42Å; D270-M274 WeakPolarHBondContact O-CB 3.44Å; D270-M274 PolarHBondContact O-N 2.87Å; L271-M274 PolarHBondContact O-N 3.31Å; M274-L277 PolarHBondContact O-N 3.37Å; M274-L278 HydrophobicContact CG-CD1 3.87Å; M274-L278 HydrophobicContact CG-CG 4.45Å; M274-L278 WeakPolarHBondContact O-CB 3.46Å; M274-L278 VanDerWaalsContact O-CG 3.32Å; M274-L278 WeakPolarHBondContact O-CG 3.33Å; M274-L278 PolarHBondContact O-N 3.23Å; M274-L288 HydrophobicContact SD-CD1 4.27Å
275Y98Very high96.5Very high10 Ų1056.6 Ų56.64%0.03927%0.27CS..Hα-helixtrans-58-51.2179.8168.7-112.6000112L271 N272 L277 L278 L279 L285 L288 F337 E338 N340 I343L271-Y275 VanDerWaalsContact O-CB 3.29Å; L271-Y275 WeakPolarHBondContact O-CB 3.32Å; L271-Y275 PolarHBondContact O-N 2.88Å; N272-Y275 PolarHBondContact O-N 3Å; Y275-L277 VanDerWaalsContact C-N 3.31Å; Y275-L277 PolarHBondContact O-N 2.9Å; Y275-L278 PolarHBondContact O-N 2.92Å; Y275-L279 HydrophobicContact CD1-CD1 4.37Å; Y275-L279 HydrophobicContact CD2-CD1 4.5Å; Y275-L279 HydrophobicContact CD2-CG 4.27Å; Y275-L279 HydrophobicContact CE1-CD1 3.72Å; Y275-L279 HydrophobicContact CE1-CG 4.48Å; Y275-L279 HydrophobicContact CE2-CD1 3.89Å; Y275-L279 HydrophobicContact CE2-CD2 4Å; Y275-L279 HydrophobicContact CE2-CG 3.89Å; Y275-L279 VanDerWaalsContact CZ-CD1 3.46Å; Y275-L279 WeakPolarHBondContact O-CG 3.32Å; Y275-L279 PolarHBondContact O-N 3.36Å; Y275-L285 HydrophobicContact CE2-CD1 4.31Å; Y275-L288 HydrophobicContact CD2-CD2 3.69Å; Y275-F337 HydrophobicContact CD2-CD1 4.07Å; Y275-F337 AromaticContact CG-CD1 3.97Å; Y275-F337 HydrophobicContact CG-CD1 3.97Å; Y275-E338 HydrophobicContact CD1-CG 4.49Å; Y275-E338 HydrophobicContact CE1-CB 4.1Å; Y275-E338 HydrophobicContact CE1-CG 4Å; Y275-N340 HydrophobicContact CE2-CB 4.38Å; Y275-N340 WeakPolarHBondContact OH-CB 3.03Å; Y275-N340 PolarHBondContact OH-ND2 3.3Å; Y275-I343 HydrophobicContact CD2-CD1 4.15Å; Y275-I343 HydrophobicContact CE2-CD1 3.9Å
276R97.4Very high96.5Very high145 Ų14555.8 Ų55.855%0.54727%0.266SS..Hα-helixtrans-62.8-37179.2-74.5-178.1171.1173.73.8112.8N272 E338N272-R276 WeakPolarHBondContact O-CB 3.49Å; N272-R276 WeakPolarHBondContact O-CG 3.35Å; N272-R276 PolarHBondContact O-N 3.06Å; N272-R276 WeakPolarHBondContact OD1-CD 3.36Å; N272-R276 PolarHBondContact OD1-NE 3.49Å; R276-E338 IonicContact CZ-OE1 3.83Å; R276-E338 IonicContact NE-OE1 2.66Å; R276-E338 PolarHBondContact NE-OE1 2.89Å; R276-E338 IonicContact NH2-OE1 3.05Å; R276-E338 PolarHBondContact NH2-OE1 3.39Å
277L97.1Very high96.6Very high8 Ų853.4 Ų53.44%0.04225%0.254CS..Hα-helixtrans-66.4-45.8177-172.769.2000110.9I209 V212 I216 I244 C273 M274 Y275 L279 R280I209-L277 HydrophobicContact CB-CD2 4.19Å; I209-L277 HydrophobicContact CG1-CD2 4Å; I209-L277 HydrophobicContact CG2-CB 4.31Å; I209-L277 HydrophobicContact CG2-CD2 3.95Å; V212-L277 HydrophobicContact CB-CD1 4.49Å; V212-L277 HydrophobicContact CB-CD2 4.32Å; V212-L277 HydrophobicContact CG1-CD1 3.84Å; V212-L277 HydrophobicContact CG1-CD2 4.25Å; I216-L277 HydrophobicContact CD1-CD1 3.84Å; I244-L277 HydrophobicContact CD1-CD1 3.45Å; I244-L277 VanDerWaalsContact CD1-CD1 3.45Å; I244-L277 HydrophobicContact CD1-CG 3.86Å; I244-L277 HydrophobicContact CG1-CD1 3.99Å; I244-L277 HydrophobicContact CG1-CD2 4.46Å; I244-L277 HydrophobicContact CG1-CG 4.12Å; I244-L277 HydrophobicContact CG2-CG 4.41Å; C273-L277 WeakPolarHBondContact O-CB 3.3Å; C273-L277 PolarHBondContact O-N 3.3Å; M274-L277 PolarHBondContact O-N 3.37Å; Y275-L277 VanDerWaalsContact C-N 3.31Å; Y275-L277 PolarHBondContact O-N 2.9Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L279 PolarHBondContact O-N 3.17Å; L277-R280 WeakPolarHBondContact O-CB 3.39Å; L277-R280 PolarHBondContact O-N 3.04Å
278L97.5Very high96.7Very high7 Ų750.5 Ų50.54%0.03724%0.243CC..Hα-helixtrans-68.6-28.7-179.8-69174.9000112.9I244 M248 V252 M274 Y275 R280 V281 G284 L288I244-L278 HydrophobicContact CG2-CD2 4.36Å; M248-L278 HydrophobicContact CB-CD2 3.66Å; V252-L278 HydrophobicContact CG2-CD1 3.62Å; V252-L278 HydrophobicContact CG2-CD2 4.43Å; M274-L278 HydrophobicContact CG-CD1 3.87Å; M274-L278 HydrophobicContact CG-CG 4.45Å; M274-L278 WeakPolarHBondContact O-CB 3.46Å; M274-L278 VanDerWaalsContact O-CG 3.32Å; M274-L278 WeakPolarHBondContact O-CG 3.33Å; M274-L278 PolarHBondContact O-N 3.23Å; Y275-L278 PolarHBondContact O-N 2.92Å; L278-R280 PolarHBondContact O-N 3.31Å; L278-R280 VanDerWaalsContact O-N 3.15Å; L278-V281 WeakPolarHBondContact O-CG2 3.38Å; L278-V281 PolarHBondContact O-N 3.5Å; L278-G284 WeakPolarHBondContact O-CA 3.33Å; L278-L288 HydrophobicContact CD1-CB 3.94Å; L278-L288 HydrophobicContact CD1-CD1 4Å; L278-L288 HydrophobicContact CD1-CG 4.46Å
279L97.2Very high96.7Very high78 Ų7849.5 Ų49.541%0.40824%0.239SC..THydrogen-bonded Turntrans-63.4-15.7174-78.9-174.2000114.2Y275 L277 V281 L285Y275-L279 HydrophobicContact CD1-CD1 4.37Å; Y275-L279 HydrophobicContact CD2-CD1 4.5Å; Y275-L279 HydrophobicContact CD2-CG 4.27Å; Y275-L279 HydrophobicContact CE1-CD1 3.72Å; Y275-L279 HydrophobicContact CE1-CG 4.48Å; Y275-L279 HydrophobicContact CE2-CD1 3.89Å; Y275-L279 HydrophobicContact CE2-CD2 4Å; Y275-L279 HydrophobicContact CE2-CG 3.89Å; Y275-L279 VanDerWaalsContact CZ-CD1 3.46Å; Y275-L279 WeakPolarHBondContact O-CG 3.32Å; Y275-L279 PolarHBondContact O-N 3.36Å; L277-L279 VanDerWaalsContact C-N 3.32Å; L277-L279 PolarHBondContact O-N 3.17Å; L279-V281 PolarHBondContact O-N 3.38Å; L279-L285 HydrophobicContact CD2-CB 4.42Å; L279-L285 HydrophobicContact CD2-CD1 4.4Å
280R96.7Very high96.8Very high113 Ų11347.4 Ų47.443%0.42623%0.231SC..THydrogen-bonded Turntrans-72.4-17.2177.4-69.4-175.4153-88.3-1113.6E240 I244 L277 L278E240-R280 HydrophobicContact CG-CB 4.46Å; E240-R280 IonicContact OE1-CZ 2.61Å; E240-R280 IonicContact OE1-NH1 3.8Å; E240-R280 PolarHBondContact OE1-NH1 3.3Å; I244-R280 HydrophobicContact CD1-CB 4.29Å; L277-R280 WeakPolarHBondContact O-CB 3.39Å; L277-R280 PolarHBondContact O-N 3.04Å; L278-R280 PolarHBondContact O-N 3.31Å; L278-R280 VanDerWaalsContact O-N 3.15Å
281V96.6Very high96.9Very high15 Ų1547.8 Ų47.89%0.09123%0.234CC..SBendtrans-124143.8-175-61.80000110.7E240 I244 S245 M248 L278 L279 E283 G284E240-V281 HydrophobicContact CB-CG1 4.16Å; I244-V281 HydrophobicContact CB-CG1 4.06Å; I244-V281 HydrophobicContact CG2-CG1 3.98Å; I244-V281 HydrophobicContact CG2-CG2 3.77Å; S245-V281 WeakPolarHBondContact OG-CG1 3.32Å; M248-V281 HydrophobicContact CE-CB 4.41Å; M248-V281 HydrophobicContact CE-CG2 3.62Å; L278-V281 WeakPolarHBondContact O-CG2 3.38Å; L278-V281 PolarHBondContact O-N 3.5Å; L279-V281 PolarHBondContact O-N 3.38Å; V281-E283 PolarHBondContact O-N 3.48Å; V281-G284 PolarHBondContact O-N 2.94Å
282E93.7Very high96.9Very high188 Ų18848.1 Ų48.188%0.87924%0.236SC*.THydrogen-bonded Turntrans-55.7-46.5-169.8-169.8173-172.300113.3G284E282-G284 VanDerWaalsContact C-N 3.35Å; E282-G284 PolarHBondContact O-N 3.36Å
283E95.3Very high96.9Very high101 Ų10147.7 Ų47.747%0.47224%0.235SC..THydrogen-bonded Turntrans-83.7-4.8-180-68.8-60141.700114.2M248 V281 L285 N286 V287M248-E283 HydrophobicContact CE-CB 4.25Å; M248-E283 HydrophobicContact SD-CB 4.29Å; V281-E283 PolarHBondContact O-N 3.48Å; E283-L285 PolarHBondContact O-N 3.42Å; E283-N286 WeakPolarHBondContact O-CB 3.29Å; E283-N286 PolarHBondContact O-N 3.36Å; E283-N286 VanDerWaalsContact O-N 3.11Å; E283-N286 PolarHBondContact OE2-ND2 2.85Å; E283-V287 PolarHBondContact O-N 3.5Å
284G96.6Very high96.9Very high0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-65.9-39.3-170.800000113.3L278 V281 E282 N286 L288L278-G284 WeakPolarHBondContact O-CA 3.33Å; V281-G284 PolarHBondContact O-N 2.94Å; E282-G284 VanDerWaalsContact C-N 3.35Å; E282-G284 PolarHBondContact O-N 3.36Å; G284-N286 VanDerWaalsContact C-N 3.3Å; G284-N286 PolarHBondContact O-N 3.27Å; G284-L288 WeakPolarHBondContact O-CB 3.39Å; G284-L288 PolarHBondContact O-N 2.8Å; G284-L288 VanDerWaalsContact O-N 3.11Å
285L96.3Very high96.8Very high43 Ų4348.9 Ų48.923%0.22525%0.246CC..Hα-helixtrans-66.1-34.6174.7-176.561.7000111.8Y275 L279 E283 T289 E342 I343Y275-L285 HydrophobicContact CE2-CD1 4.31Å; L279-L285 HydrophobicContact CD2-CB 4.42Å; L279-L285 HydrophobicContact CD2-CD1 4.4Å; E283-L285 PolarHBondContact O-N 3.42Å; L285-T289 HydrophobicContact CD1-CG2 3.97Å; L285-T289 HydrophobicContact CG-CG2 4.23Å; L285-T289 VanDerWaalsContact O-CB 3.31Å; L285-T289 WeakPolarHBondContact O-CB 3.13Å; L285-T289 WeakPolarHBondContact O-CG2 3.29Å; L285-T289 PolarHBondContact O-N 3.06Å; L285-T289 PolarHBondContact O-OG1 3.07Å; L285-E342 HydrophobicContact CD2-CB 4.38Å; L285-I343 HydrophobicContact CD1-CD1 4.15Å; L285-I343 HydrophobicContact CD1-CG1 4.2Å
286N96.5Very high96.8Very high81 Ų8148.5 Ų48.543%0.43324%0.244SC..Hα-helixtrans-67.7-44.2179.3-173.821.6000111.4E283 G284 T289 T290E283-N286 WeakPolarHBondContact O-CB 3.29Å; E283-N286 PolarHBondContact O-N 3.36Å; E283-N286 VanDerWaalsContact O-N 3.11Å; E283-N286 PolarHBondContact OE2-ND2 2.85Å; G284-N286 VanDerWaalsContact C-N 3.3Å; G284-N286 PolarHBondContact O-N 3.27Å; N286-T289 WeakPolarHBondContact CA-OG1 3.17Å; N286-T289 PolarHBondContact O-N 3.44Å; N286-T289 PolarHBondContact O-OG1 2.94Å; N286-T290 VanDerWaalsContact O-CB 3.27Å; N286-T290 WeakPolarHBondContact O-CB 3.45Å; N286-T290 PolarHBondContact O-N 3.46Å; N286-T290 PolarHBondContact O-OG1 2.89Å; N286-T290 PolarHBondContact OD1-OG1 3.3Å
287V97.4Very high96.8Very high18 Ų1845.6 Ų45.611%0.10923%0.233CC..Hα-helixtrans-63.1-45.6175.9172.40000111.6M248 N249 V252 E283 T289 T291M248-V287 HydrophobicContact CG-CG1 4.48Å; M248-V287 HydrophobicContact CG-CG2 4.15Å; M248-V287 HydrophobicContact SD-CB 4.06Å; M248-V287 HydrophobicContact SD-CG2 3.49Å; M248-V287 WeakPolarHBondContact SD-CG2 3.48Å; N249-V287 VanDerWaalsContact OD1-CG1 3.31Å; N249-V287 WeakPolarHBondContact OD1-CG1 3.36Å; N249-V287 WeakPolarHBondContact OD1-CG2 3.27Å; V252-V287 HydrophobicContact CB-CG1 4.15Å; V252-V287 HydrophobicContact CG1-CG1 4.19Å; V252-V287 HydrophobicContact CG2-CG1 4.16Å; E283-V287 PolarHBondContact O-N 3.5Å; V287-T289 PolarHBondContact O-N 3.49Å; V287-T291 PolarHBondContact O-N 2.94Å; V287-T291 VanDerWaalsContact O-N 3.1Å; V287-T291 PolarHBondContact O-OG1 3.37Å
288L97.3Very high96.8Very high1 Ų147.4 Ų47.41%0.00525%0.249CC..Hα-helixtrans-58.4-49.5176.5-176.774000111.2L259 M274 Y275 L278 G284 T291 L292 F337 I343L259-L288 HydrophobicContact CD1-CD1 3.6Å; L259-L288 HydrophobicContact CD2-CD1 3.84Å; L259-L288 HydrophobicContact CG-CD1 4.3Å; M274-L288 HydrophobicContact SD-CD1 4.27Å; Y275-L288 HydrophobicContact CD2-CD2 3.69Å; L278-L288 HydrophobicContact CD1-CB 3.94Å; L278-L288 HydrophobicContact CD1-CD1 4Å; L278-L288 HydrophobicContact CD1-CG 4.46Å; G284-L288 WeakPolarHBondContact O-CB 3.39Å; G284-L288 PolarHBondContact O-N 2.8Å; G284-L288 VanDerWaalsContact O-N 3.11Å; L288-T291 PolarHBondContact O-N 2.64Å; L288-L292 WeakPolarHBondContact O-CB 3.31Å; L288-L292 PolarHBondContact O-N 3.41Å; L288-F337 HydrophobicContact CD2-CD1 4.42Å; L288-F337 HydrophobicContact CD2-CE1 4.23Å; L288-I343 HydrophobicContact CD2-CD1 4.03Å
289T97Very high96.7Very high10 Ų1049.5 Ų49.56%0.06126%0.259CS..Hα-helixtrans-71.6-35.9-175.1540000113L285 N286 V287 L292 S293 I343 I346L285-T289 HydrophobicContact CD1-CG2 3.97Å; L285-T289 HydrophobicContact CG-CG2 4.23Å; L285-T289 VanDerWaalsContact O-CB 3.31Å; L285-T289 WeakPolarHBondContact O-CB 3.13Å; L285-T289 WeakPolarHBondContact O-CG2 3.29Å; L285-T289 PolarHBondContact O-N 3.06Å; L285-T289 PolarHBondContact O-OG1 3.07Å; N286-T289 WeakPolarHBondContact CA-OG1 3.17Å; N286-T289 PolarHBondContact O-N 3.44Å; N286-T289 PolarHBondContact O-OG1 2.94Å; V287-T289 PolarHBondContact O-N 3.49Å; T289-L292 PolarHBondContact O-N 3.19Å; T289-S293 VanDerWaalsContact O-CB 3.29Å; T289-S293 WeakPolarHBondContact O-CB 3.46Å; T289-S293 PolarHBondContact O-N 3.35Å; T289-I343 HydrophobicContact CG2-CG1 3.8Å; T289-I346 HydrophobicContact CG2-CD1 3.59Å
290T97.6Very high96.5Very high88 Ų8845.8 Ų45.854%0.5424%0.24SC..Hα-helixtrans-61.3-45.8173.5-64.30000111N286 S293 G294N286-T290 VanDerWaalsContact O-CB 3.27Å; N286-T290 WeakPolarHBondContact O-CB 3.45Å; N286-T290 PolarHBondContact O-N 3.46Å; N286-T290 PolarHBondContact O-OG1 2.89Å; N286-T290 PolarHBondContact OD1-OG1 3.3Å; T290-S293 PolarHBondContact O-N 2.86Å; T290-G294 PolarHBondContact O-N 3.39Å
291T97Very high96.5Very high23 Ų2345.7 Ų45.714%0.14124%0.239CC..Hα-helixtrans-67.4-43.8179-52.30000111.5V252 L259 V260 V287 L288 S293 G294 Y295V252-T291 HydrophobicContact CG1-CG2 3.83Å; V252-T291 VanDerWaalsContact CG1-OG1 3.32Å; V252-T291 WeakPolarHBondContact CG1-OG1 3.18Å; L259-T291 HydrophobicContact CB-CG2 4.35Å; L259-T291 HydrophobicContact CD2-CG2 3.79Å; V260-T291 HydrophobicContact CG2-CG2 4.19Å; V287-T291 PolarHBondContact O-N 2.94Å; V287-T291 VanDerWaalsContact O-N 3.1Å; V287-T291 PolarHBondContact O-OG1 3.37Å; L288-T291 PolarHBondContact O-N 2.64Å; T291-S293 VanDerWaalsContact C-N 3.32Å; T291-S293 PolarHBondContact O-N 3.43Å; T291-G294 PolarHBondContact O-N 2.95Å; T291-Y295 PolarHBondContact O-N 3.07Å
292L97.4Very high96.4Very high6 Ų647.8 Ų47.83%0.03126%0.255CS..Hα-helixtrans-58-45.2174177.264.2000111.2L259 L263 L288 T289 Y295 L296 I343 I347L259-L292 HydrophobicContact CD2-CB 4.25Å; L263-L292 HydrophobicContact CD1-CD1 3.71Å; L288-L292 WeakPolarHBondContact O-CB 3.31Å; L288-L292 PolarHBondContact O-N 3.41Å; T289-L292 PolarHBondContact O-N 3.19Å; L292-Y295 PolarHBondContact O-N 2.95Å; L292-L296 HydrophobicContact CD1-CD1 4.01Å; L292-L296 HydrophobicContact CD1-CG 4.04Å; L292-L296 HydrophobicContact CG-CD1 3.95Å; L292-L296 HydrophobicContact CG-CG 4.33Å; L292-L296 WeakPolarHBondContact O-CG 3.4Å; L292-L296 PolarHBondContact O-N 3.41Å; L292-I343 HydrophobicContact CD2-CG2 3.68Å; L292-I347 HydrophobicContact CD2-CG1 4.47Å
293S97.7Very high96.3Very high17 Ų1741.1 Ų41.112%0.11922%0.221CC..Hα-helixtrans-63.4-43.3179-174.70000111.9T289 T290 T291 Y295 L296 R297 D350T289-S293 VanDerWaalsContact O-CB 3.29Å; T289-S293 WeakPolarHBondContact O-CB 3.46Å; T289-S293 PolarHBondContact O-N 3.35Å; T290-S293 PolarHBondContact O-N 2.86Å; T291-S293 VanDerWaalsContact C-N 3.32Å; T291-S293 PolarHBondContact O-N 3.43Å; S293-Y295 VanDerWaalsContact C-N 3.33Å; S293-Y295 PolarHBondContact O-N 2.87Å; S293-L296 PolarHBondContact O-N 3.47Å; S293-R297 WeakPolarHBondContact O-CB 3.29Å; S293-R297 VanDerWaalsContact O-CG 3.29Å; S293-R297 WeakPolarHBondContact O-CG 3.45Å; S293-R297 PolarHBondContact O-N 3.38Å; S293-D350 WeakPolarHBondContact CA-OD2 3.44Å; S293-D350 WeakPolarHBondContact CB-OD2 3.49Å; S293-D350 PolarHBondContact OG-OD1 3.04Å; S293-D350 VanDerWaalsContact OG-OD1 3.07Å; S293-D350 PolarHBondContact OG-OD2 2.76Å
294G97.3Very high96.2Very high40 Ų4036.6 Ų36.641%0.41220%0.2SC..Hα-helixtrans-54.7-48.4173.200000112.3T290 T291 A298T290-G294 PolarHBondContact O-N 3.39Å; T291-G294 PolarHBondContact O-N 2.95Å; G294-A298 WeakPolarHBondContact O-CB 3.38Å; G294-A298 PolarHBondContact O-N 3.27Å
295Y96.2Very high95.9Very high35 Ų3540.7 Ų40.714%0.13722%0.22CC..Hα-helixtrans-62.4-51176.8170-107.9000112.8V260 L263 K264 T291 L292 S293 R297 A298 Q299V260-Y295 HydrophobicContact CG1-CD2 3.7Å; V260-Y295 HydrophobicContact CG1-CE2 4.11Å; V260-Y295 HydrophobicContact CG1-CG 4.47Å; V260-Y295 HydrophobicContact CG2-CD2 4.46Å; L263-Y295 HydrophobicContact CB-CE1 4.15Å; L263-Y295 HydrophobicContact CD1-CD1 3.7Å; L263-Y295 HydrophobicContact CD1-CE1 3.98Å; L263-Y295 HydrophobicContact CD1-CG 4.35Å; K264-Y295 HydrophobicContact CG-CE2 4.28Å; T291-Y295 PolarHBondContact O-N 3.07Å; L292-Y295 PolarHBondContact O-N 2.95Å; S293-Y295 VanDerWaalsContact C-N 3.33Å; S293-Y295 PolarHBondContact O-N 2.87Å; Y295-R297 PolarHBondContact O-N 3.46Å; Y295-A298 WeakPolarHBondContact O-CB 3.37Å; Y295-A298 PolarHBondContact O-N 2.94Å; Y295-Q299 HydrophobicContact CD2-CG 4.08Å; Y295-Q299 HydrophobicContact CE1-CG 4.15Å; Y295-Q299 HydrophobicContact CE2-CG 3.59Å; Y295-Q299 WeakPolarHBondContact O-CG 3.36Å; Y295-Q299 PolarHBondContact O-N 2.93Å; Y295-Q299 PolarHBondContact OH-NE2 2.92Å
296L97.2Very high95.6Very high2 Ų243 Ų431%0.0123%0.229CC..Hα-helixtrans-63.6-42.6-177.9-71.1179.1000112L292 S293 A298 Q299 G300 C329 I347 D350L292-L296 HydrophobicContact CD1-CD1 4.01Å; L292-L296 HydrophobicContact CD1-CG 4.04Å; L292-L296 HydrophobicContact CG-CD1 3.95Å; L292-L296 HydrophobicContact CG-CG 4.33Å; L292-L296 WeakPolarHBondContact O-CG 3.4Å; L292-L296 PolarHBondContact O-N 3.41Å; S293-L296 PolarHBondContact O-N 3.47Å; L296-A298 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 3.39Å; L296-Q299 PolarHBondContact O-N 2.94Å; L296-G300 PolarHBondContact O-N 3.31Å; L296-C329 WeakPolarHBondContact CD2-SG 3.43Å; L296-I347 HydrophobicContact CD1-CB 4.47Å; L296-I347 HydrophobicContact CD1-CG1 3.84Å; L296-D350 HydrophobicContact CB-CB 4.35Å
297R97.3Very high95.3Very high83 Ų8340 Ų4031%0.31321%0.213SC..Hα-helixtrans-64.3-36.7175.4-70.6-175.4179.5-173.92.9112.1S293 Y295 R301 D350 Y353S293-R297 WeakPolarHBondContact O-CB 3.29Å; S293-R297 VanDerWaalsContact O-CG 3.29Å; S293-R297 WeakPolarHBondContact O-CG 3.45Å; S293-R297 PolarHBondContact O-N 3.38Å; Y295-R297 PolarHBondContact O-N 3.46Å; R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 WeakPolarHBondContact O-CG 3.46Å; R297-R301 PolarHBondContact O-N 2.92Å; R297-D350 HydrophobicContact CG-CB 4.15Å; R297-D350 IonicContact CZ-OD1 2.76Å; R297-D350 VanDerWaalsContact CZ-OD1 3.3Å; R297-D350 IonicContact NE-OD1 2.65Å; R297-D350 PolarHBondContact NE-OD1 3.32Å; R297-D350 IonicContact NH2-OD1 2.75Å; R297-D350 PolarHBondContact NH2-OD1 2.87Å; R297-Y353 HydrophobicContact CB-CD1 4.47Å; R297-Y353 HydrophobicContact CB-CE1 4.4Å; R297-Y353 HydrophobicContact CG-CD1 3.93Å; R297-Y353 HydrophobicContact CG-CE1 4.24Å
298A96.4Very high94.7Very high46 Ų4644.6 Ų44.638%0.3823%0.232SC..Hα-helixtrans-65.2-46.2174.500000111.6G294 Y295 L296 G300 R301 S302G294-A298 WeakPolarHBondContact O-CB 3.38Å; G294-A298 PolarHBondContact O-N 3.27Å; Y295-A298 WeakPolarHBondContact O-CB 3.37Å; Y295-A298 PolarHBondContact O-N 2.94Å; L296-A298 VanDerWaalsContact C-N 3.31Å; L296-A298 PolarHBondContact O-N 3.39Å; A298-G300 VanDerWaalsContact C-N 3.35Å; A298-G300 PolarHBondContact O-N 3.04Å; A298-R301 PolarHBondContact O-N 2.88Å; A298-S302 WeakPolarHBondContact O-CB 3.26Å; A298-S302 PolarHBondContact O-N 3.07Å
299Q95.7Very high94.3Very high52 Ų5250 Ų5024%0.24326%0.26CS..Hα-helixtrans-61.6-41.2176.3-74.1-7656.900112.7Y295 L296 R303 L325Y295-Q299 HydrophobicContact CD2-CG 4.08Å; Y295-Q299 HydrophobicContact CE1-CG 4.15Å; Y295-Q299 HydrophobicContact CE2-CG 3.59Å; Y295-Q299 WeakPolarHBondContact O-CG 3.36Å; Y295-Q299 PolarHBondContact O-N 2.93Å; Y295-Q299 PolarHBondContact OH-NE2 2.92Å; L296-Q299 PolarHBondContact O-N 2.94Å; Q299-R303 PolarHBondContact O-N 3.22Å; Q299-R303 PolarHBondContact O-NH1 3.48Å; Q299-L325 HydrophobicContact CB-CD2 4.42Å
300G94.5Very high93.8Very high0 Ų052.5 Ų52.50%027%0.273CS..Hα-helixtrans-65-48175.900000112.5L296 A298 S302 R303 V304L296-G300 PolarHBondContact O-N 3.31Å; A298-G300 VanDerWaalsContact C-N 3.35Å; A298-G300 PolarHBondContact O-N 3.04Å; G300-S302 VanDerWaalsContact C-N 3.32Å; G300-S302 PolarHBondContact O-N 2.99Å; G300-R303 PolarHBondContact O-N 3.38Å; G300-V304 WeakPolarHBondContact O-CG2 3.49Å; G300-V304 PolarHBondContact O-N 3.39Å; G300-V304 VanDerWaalsContact O-N 3.08Å
301R95.1Very high93Very high110 Ų11058 Ų5842%0.41529%0.29SS..Hα-helixtrans-58.6-43175.4-78.8-172.5-63.3-96.9-2.6112.1R297 A298 R303 V304 Q305 L357R297-R301 WeakPolarHBondContact O-CB 3.42Å; R297-R301 WeakPolarHBondContact O-CG 3.46Å; R297-R301 PolarHBondContact O-N 2.92Å; A298-R301 PolarHBondContact O-N 2.88Å; R301-R303 PolarHBondContact O-N 2.86Å; R301-V304 PolarHBondContact O-N 3.02Å; R301-Q305 WeakPolarHBondContact O-CB 3.17Å; R301-Q305 PolarHBondContact O-N 3.37Å; R301-L357 HydrophobicContact CG-CD1 3.72Å
302S94.8Very high92.4Very high60 Ų6063.4 Ų63.442%0.4232%0.317SS..Hα-helixtrans-57.8-47.8177.8-171.80000111.6A298 G300 V304 Q305 E306A298-S302 WeakPolarHBondContact O-CB 3.26Å; A298-S302 PolarHBondContact O-N 3.07Å; G300-S302 VanDerWaalsContact C-N 3.32Å; G300-S302 PolarHBondContact O-N 2.99Å; S302-V304 PolarHBondContact O-N 2.72Å; S302-Q305 PolarHBondContact O-N 3.01Å; S302-Q305 VanDerWaalsContact O-N 3.11Å; S302-E306 PolarHBondContact O-N 3.26Å
303R92.4Very high91.8Very high48 Ų4863.6 Ų63.618%0.18132%0.319CS..Hα-helixtrans-63.2-37.9177.5-73.2172.217065.6-0.1113.3Q299 G300 R301 Q305 L307 F318 N321Q299-R303 PolarHBondContact O-N 3.22Å; Q299-R303 PolarHBondContact O-NH1 3.48Å; G300-R303 PolarHBondContact O-N 3.38Å; R301-R303 PolarHBondContact O-N 2.86Å; R303-Q305 VanDerWaalsContact C-N 3.31Å; R303-L307 PolarHBondContact O-N 2.83Å; R303-F318 HydrophobicContact CB-CE2 4.43Å; R303-N321 PolarHBondContact NE-O 3.19Å
304V91.9Very high91.5Very high5 Ų566.2 Ų66.23%0.0333%0.334CS..Hα-helixtrans-66.8-35.8174.9174.10000110.9G300 R301 S302 F318 F354 L357 D358G300-V304 WeakPolarHBondContact O-CG2 3.49Å; G300-V304 PolarHBondContact O-N 3.39Å; G300-V304 VanDerWaalsContact O-N 3.08Å; R301-V304 PolarHBondContact O-N 3.02Å; S302-V304 PolarHBondContact O-N 2.72Å; V304-F318 HydrophobicContact CG2-CE2 3.98Å; V304-F318 HydrophobicContact CG2-CZ 4.05Å; V304-F354 WeakPolarHBondContact CG2-O 3.49Å; V304-L357 HydrophobicContact CG1-CB 4.33Å; V304-D358 HydrophobicContact CG1-CB 4.33Å
305Q91Very high91.2Very high86 Ų8666 Ų6640%0.40233%0.325SS..Hα-helixtrans-73.8-41.9177.7-169.858.934.400112R301 S302 R303 L307 K308 D309R301-Q305 WeakPolarHBondContact O-CB 3.17Å; R301-Q305 PolarHBondContact O-N 3.37Å; S302-Q305 PolarHBondContact O-N 3.01Å; S302-Q305 VanDerWaalsContact O-N 3.11Å; R303-Q305 VanDerWaalsContact C-N 3.31Å; Q305-L307 PolarHBondContact O-N 3.28Å; Q305-K308 WeakPolarHBondContact O-CA 3.4Å; Q305-K308 WeakPolarHBondContact O-CB 3.44Å; Q305-K308 PolarHBondContact O-N 3.11Å; Q305-D309 WeakPolarHBondContact CG-OD2 3.42Å; Q305-D309 PolarHBondContact NE2-OD1 2.91Å; Q305-D309 PolarHBondContact NE2-OD2 2.85Å; Q305-D309 PolarHBondContact O-N 3.41Å
306E90.7Very high91Very high92 Ų9265.6 Ų65.643%0.4333%0.326SS..Hα-helixtrans-54.5-39.9172.6-89.4-175.7163.700112.1S302 K308 D309 D310S302-E306 PolarHBondContact O-N 3.26Å; E306-K308 PolarHBondContact O-N 2.92Å; E306-D309 PolarHBondContact O-N 3.26Å; E306-D310 WeakPolarHBondContact O-CB 3.43Å; E306-D310 PolarHBondContact O-N 3.24Å
307L89.3Confident90.9Very high19 Ų1970.4 Ų70.410%0.09935%0.347CS..Hα-helixtrans-61.4-29.6175.7178.163.5000113.1R303 Q305 V313 F318 Y364R303-L307 PolarHBondContact O-N 2.83Å; Q305-L307 PolarHBondContact O-N 3.28Å; L307-V313 HydrophobicContact CB-CG1 4.37Å; L307-V313 HydrophobicContact CD1-CG1 3.98Å; L307-V313 WeakPolarHBondContact CD1-O 2.85Å; L307-F318 HydrophobicContact CB-CD2 4.15Å; L307-F318 HydrophobicContact CD1-CB 4.02Å; L307-F318 HydrophobicContact CD2-CB 4.13Å; L307-F318 HydrophobicContact CD2-CD1 3.94Å; L307-F318 HydrophobicContact CD2-CD2 3.96Å; L307-F318 HydrophobicContact CD2-CE1 4.32Å; L307-F318 HydrophobicContact CD2-CE2 4.34Å; L307-F318 HydrophobicContact CD2-CG 3.73Å; L307-F318 HydrophobicContact CD2-CZ 4.5Å; L307-F318 HydrophobicContact CG-CG 4.49Å; L307-Y364 HydrophobicContact CD2-CD2 3.82Å; L307-Y364 HydrophobicContact CD2-CE2 3.3Å
308K86Confident90.7Very high113 Ų11366.5 Ų66.549%0.49133%0.332SS..Hα-helixtrans-83.3-38.5179.2-65.9177.6-177176.40111.9Q305 E306Q305-K308 WeakPolarHBondContact O-CA 3.4Å; Q305-K308 WeakPolarHBondContact O-CB 3.44Å; Q305-K308 PolarHBondContact O-N 3.11Å; E306-K308 PolarHBondContact O-N 2.92Å
309D88.2Confident90.7Very high114 Ų11464.3 Ų64.361%0.6131%0.314SS*.Hα-helixtrans-91.8-38.8-170.7-63.2-19.7000112.6Q305 E306Q305-D309 WeakPolarHBondContact CG-OD2 3.42Å; Q305-D309 PolarHBondContact NE2-OD1 2.91Å; Q305-D309 PolarHBondContact NE2-OD2 2.85Å; Q305-D309 PolarHBondContact O-N 3.41Å; E306-D309 PolarHBondContact O-N 3.26Å
310D85.7Confident90.7Very high63 Ų6364 Ų6434%0.33731%0.313SS..  trans-96.4108-178.6-174.94.9000111.9E306 L312 V313E306-D310 WeakPolarHBondContact O-CB 3.43Å; E306-D310 PolarHBondContact O-N 3.24Å; D310-L312 PolarHBondContact O-N 3.47Å; D310-L312 VanDerWaalsContact OD1-CB 3.25Å; D310-L312 WeakPolarHBondContact OD1-CB 3.5Å; D310-L312 WeakPolarHBondContact OD1-CG 3.47Å; D310-L312 PolarHBondContact OD1-N 3.28Å; D310-V313 HydrophobicContact CB-CG2 3.98Å; D310-V313 PolarHBondContact O-N 3.08Å
311K81.2Confident90.7Very high205 Ų20565.8 Ų65.889%0.89132%0.323SS*.THydrogen-bonded Turntrans-61.7-15.4176.4-67.2179.3-178.8171.10113.9
312L84.6Confident90.8Very high135 Ų13560.6 Ų60.671%0.70730%0.303SS*.THydrogen-bonded Turntrans-79.1-22.5175.2-60.3173000112.3D310 T314D310-L312 PolarHBondContact O-N 3.47Å; D310-L312 VanDerWaalsContact OD1-CB 3.25Å; D310-L312 WeakPolarHBondContact OD1-CB 3.5Å; D310-L312 WeakPolarHBondContact OD1-CG 3.47Å; D310-L312 PolarHBondContact OD1-N 3.28Å; L312-T314 PolarHBondContact O-N 3.2Å; L312-T314 VanDerWaalsContact O-N 3.16Å
313V85.3Confident90.9Very high11 Ų1158 Ų587%0.06728%0.284CS..  trans-79.5101177-177.20000108.5L307 D310 F318L307-V313 HydrophobicContact CB-CG1 4.37Å; L307-V313 HydrophobicContact CD1-CG1 3.98Å; L307-V313 WeakPolarHBondContact CD1-O 2.85Å; D310-V313 HydrophobicContact CB-CG2 3.98Å; D310-V313 PolarHBondContact O-N 3.08Å; V313-F318 HydrophobicContact CG1-CB 4.22Å
314T90.6Very high91Very high71 Ų7158.9 Ų58.944%0.43629%0.293SS..  trans-78.8158.5174.1660000110.6L312 V316 K317 F318L312-T314 PolarHBondContact O-N 3.2Å; L312-T314 VanDerWaalsContact O-N 3.16Å; T314-V316 PolarHBondContact O-N 2.85Å; T314-V316 VanDerWaalsContact O-N 3.13Å; T314-K317 PolarHBondContact O-N 3.47Å; T314-K317 PolarHBondContact OG1-N 3.21Å; T314-F318 PolarHBondContact O-N 3.07Å
315P91.2Very high91.2Very high36 Ų3659 Ų5923%0.23429%0.293CS..Hα-helixtrans-49.5-38.4171.5-33.439.1000114.1F318 I319 Y364 L367P315-F318 PolarHBondContact O-N 3Å; P315-I319 WeakPolarHBondContact O-CG1 3.38Å; P315-I319 PolarHBondContact O-N 3.46Å; P315-I319 VanDerWaalsContact O-N 3.09Å; P315-Y364 HydrophobicContact CB-CD1 3.5Å; P315-Y364 VanDerWaalsContact CB-CD1 3.5Å; P315-Y364 HydrophobicContact CB-CE1 4.12Å; P315-Y364 HydrophobicContact CB-CG 3.85Å; P315-Y364 HydrophobicContact CG-CD1 3.7Å; P315-Y364 HydrophobicContact CG-CE1 3.8Å; P315-Y364 HydrophobicContact CG-CG 4.43Å; P315-L367 HydrophobicContact CB-CD1 3.94Å; P315-L367 HydrophobicContact CG-CD1 4.11Å
316V92.8Very high91.4Very high26 Ų2656.2 Ų56.216%0.15828%0.28CS..Hα-helixtrans-65.5-44.1177.3-178.90000110.9T314 Q320 F368 D371T314-V316 PolarHBondContact O-N 2.85Å; T314-V316 VanDerWaalsContact O-N 3.13Å; V316-Q320 PolarHBondContact O-N 2.92Å; V316-F368 HydrophobicContact CB-CD2 4.48Å; V316-F368 HydrophobicContact CG1-CD2 3.75Å; V316-F368 HydrophobicContact CG1-CE2 4.32Å; V316-F368 WeakPolarHBondContact O-CD2 3.48Å; V316-D371 HydrophobicContact CG1-CB 4.26Å; V316-D371 HydrophobicContact CG2-CB 3.97Å
317K93.3Very high91.7Very high103 Ų10354.5 Ų54.545%0.44827%0.273SS..Hα-helixtrans-67-38.2177.5-169178.1179.9-169.80111.5T314 Q320 N321T314-K317 PolarHBondContact O-N 3.47Å; T314-K317 PolarHBondContact OG1-N 3.21Å; K317-Q320 WeakPolarHBondContact O-CB 3.42Å; K317-Q320 PolarHBondContact O-N 2.95Å; K317-N321 WeakPolarHBondContact O-CB 3.34Å; K317-N321 PolarHBondContact O-N 3.23Å; K317-N321 PolarHBondContact O-OD1 2.85Å
318F94.9Very high92Very high1 Ų156.5 Ų56.50%0.00428%0.284CS..Hα-helixtrans-59.1-50.3175.1167.9-104.5000112.3R303 V304 L307 V313 T314 P315 Q320 N321 L322 Y364R303-F318 HydrophobicContact CB-CE2 4.43Å; V304-F318 HydrophobicContact CG2-CE2 3.98Å; V304-F318 HydrophobicContact CG2-CZ 4.05Å; L307-F318 HydrophobicContact CB-CD2 4.15Å; L307-F318 HydrophobicContact CD1-CB 4.02Å; L307-F318 HydrophobicContact CD2-CB 4.13Å; L307-F318 HydrophobicContact CD2-CD1 3.94Å; L307-F318 HydrophobicContact CD2-CD2 3.96Å; L307-F318 HydrophobicContact CD2-CE1 4.32Å; L307-F318 HydrophobicContact CD2-CE2 4.34Å; L307-F318 HydrophobicContact CD2-CG 3.73Å; L307-F318 HydrophobicContact CD2-CZ 4.5Å; L307-F318 HydrophobicContact CG-CG 4.49Å; V313-F318 HydrophobicContact CG1-CB 4.22Å; T314-F318 PolarHBondContact O-N 3.07Å; P315-F318 PolarHBondContact O-N 3Å; F318-Q320 VanDerWaalsContact C-N 3.31Å; F318-Q320 PolarHBondContact O-N 3.3Å; F318-N321 PolarHBondContact O-N 3.07Å; F318-L322 HydrophobicContact CD1-CD1 4.45Å; F318-L322 HydrophobicContact CE1-CD1 3.74Å; F318-L322 HydrophobicContact CE1-CG 4.49Å; F318-L322 HydrophobicContact CE2-CD1 4.15Å; F318-L322 HydrophobicContact CE2-CD2 4.41Å; F318-L322 HydrophobicContact CE2-CG 4.24Å; F318-L322 HydrophobicContact CZ-CD1 3.58Å; F318-L322 HydrophobicContact CZ-CG 4.17Å; F318-L322 PolarHBondContact O-N 3.37Å; F318-L322 VanDerWaalsContact O-N 3.08Å; F318-Y364 HydrophobicContact CD1-CD2 4.02Å; F318-Y364 HydrophobicContact CE1-CD2 4.13Å
319I96.3Very high92.5Very high0 Ų051.5 Ų51.50%026%0.264CS..Hα-helixtrans-62.9-39.4177.3-63.6-62.2000111.2P315 N321 L322 I323 L365 F368 L395P315-I319 WeakPolarHBondContact O-CG1 3.38Å; P315-I319 PolarHBondContact O-N 3.46Å; P315-I319 VanDerWaalsContact O-N 3.09Å; I319-N321 PolarHBondContact O-N 3.5Å; I319-L322 PolarHBondContact O-N 2.86Å; I319-I323 HydrophobicContact CG2-CD1 4.12Å; I319-I323 WeakPolarHBondContact O-CG1 3.46Å; I319-I323 PolarHBondContact O-N 3.27Å; I319-L365 HydrophobicContact CD1-CB 4.24Å; I319-L365 HydrophobicContact CD1-CD1 4.38Å; I319-L365 HydrophobicContact CG2-CD1 3.82Å; I319-F368 HydrophobicContact CB-CB 3.89Å; I319-F368 HydrophobicContact CB-CD2 3.82Å; I319-F368 HydrophobicContact CB-CG 3.88Å; I319-F368 HydrophobicContact CG1-CB 4.11Å; I319-F368 HydrophobicContact CG2-CB 3.81Å; I319-F368 HydrophobicContact CG2-CD1 3.77Å; I319-F368 HydrophobicContact CG2-CD2 3.75Å; I319-F368 HydrophobicContact CG2-CE1 4.26Å; I319-F368 HydrophobicContact CG2-CE2 4.24Å; I319-F368 HydrophobicContact CG2-CG 3.49Å; I319-F368 VanDerWaalsContact CG2-CG 3.49Å; I319-F368 HydrophobicContact CG2-CZ 4.47Å; I319-L395 HydrophobicContact CG2-CD1 4.12Å
320Q95.3Very high92.9Very high47 Ų4749 Ų4922%0.2225%0.25CS..Hα-helixtrans-58.8-48.4173.9-170.763.760.900111.5V316 K317 F318 L322 I323 D324 F368V316-Q320 PolarHBondContact O-N 2.92Å; K317-Q320 WeakPolarHBondContact O-CB 3.42Å; K317-Q320 PolarHBondContact O-N 2.95Å; F318-Q320 VanDerWaalsContact C-N 3.31Å; F318-Q320 PolarHBondContact O-N 3.3Å; Q320-L322 PolarHBondContact O-N 3.06Å; Q320-I323 WeakPolarHBondContact O-CB 3.33Å; Q320-I323 PolarHBondContact O-N 3.43Å; Q320-D324 PolarHBondContact NE2-OD1 3.36Å; Q320-D324 PolarHBondContact O-N 3.12Å; Q320-F368 HydrophobicContact CB-CE2 4.11Å
321N94.9Very high93.4Very high37 Ų3750.2 Ų50.220%0.19825%0.25CC..Hα-helixtrans-61.1-28.4178.7-68.8-2.2000113.1R303 K317 F318 I319 L325R303-N321 PolarHBondContact NE-O 3.19Å; K317-N321 WeakPolarHBondContact O-CB 3.34Å; K317-N321 PolarHBondContact O-N 3.23Å; K317-N321 PolarHBondContact O-OD1 2.85Å; F318-N321 PolarHBondContact O-N 3.07Å; I319-N321 PolarHBondContact O-N 3.5Å; N321-L325 WeakPolarHBondContact O-CB 3.25Å; N321-L325 PolarHBondContact O-N 2.92Å
322L96.2Very high94.2Very high0 Ų041 Ų410%021%0.21CC..Hα-helixtrans-75.7-40173.2-68.9-172.9000112F318 I319 Q320 D324 L325 K326 F351 F354 L355 L395F318-L322 HydrophobicContact CD1-CD1 4.45Å; F318-L322 HydrophobicContact CE1-CD1 3.74Å; F318-L322 HydrophobicContact CE1-CG 4.49Å; F318-L322 HydrophobicContact CE2-CD1 4.15Å; F318-L322 HydrophobicContact CE2-CD2 4.41Å; F318-L322 HydrophobicContact CE2-CG 4.24Å; F318-L322 HydrophobicContact CZ-CD1 3.58Å; F318-L322 HydrophobicContact CZ-CG 4.17Å; F318-L322 PolarHBondContact O-N 3.37Å; F318-L322 VanDerWaalsContact O-N 3.08Å; I319-L322 PolarHBondContact O-N 2.86Å; Q320-L322 PolarHBondContact O-N 3.06Å; L322-D324 VanDerWaalsContact C-N 3.34Å; L322-L325 PolarHBondContact O-N 3.05Å; L322-K326 WeakPolarHBondContact O-CB 3.47Å; L322-K326 PolarHBondContact O-N 2.81Å; L322-F351 WeakPolarHBondContact O-CE1 3.44Å; L322-F354 HydrophobicContact CD2-CD2 4.19Å; L322-F354 HydrophobicContact CD2-CE2 3.8Å; L322-L355 HydrophobicContact CD1-CD1 3.68Å; L322-L395 HydrophobicContact CB-CD1 4.12Å
323I96.3Very high94.8Very high6 Ų635.4 Ų35.43%0.03118%0.181CC..Hα-helixtrans-61.2-46.5173.6-69.4172.5000110I319 Q320 L325 K326 D327 F368 K391 L395I319-I323 HydrophobicContact CG2-CD1 4.12Å; I319-I323 WeakPolarHBondContact O-CG1 3.46Å; I319-I323 PolarHBondContact O-N 3.27Å; Q320-I323 WeakPolarHBondContact O-CB 3.33Å; Q320-I323 PolarHBondContact O-N 3.43Å; I323-L325 VanDerWaalsContact C-N 3.34Å; I323-L325 PolarHBondContact O-N 2.72Å; I323-K326 WeakPolarHBondContact O-CA 3.42Å; I323-K326 WeakPolarHBondContact O-CB 3.41Å; I323-K326 PolarHBondContact O-N 2.91Å; I323-D327 PolarHBondContact O-N 3.45Å; I323-F368 HydrophobicContact CD1-CE1 3.74Å; I323-F368 HydrophobicContact CD1-CE2 4.48Å; I323-F368 HydrophobicContact CD1-CZ 3.67Å; I323-K391 HydrophobicContact CD1-CB 4.31Å; I323-K391 HydrophobicContact CG1-CB 4.43Å; I323-K391 HydrophobicContact CG2-CB 3.92Å; I323-K391 HydrophobicContact CG2-CD 3.61Å; I323-K391 HydrophobicContact CG2-CG 4.31Å; I323-L395 HydrophobicContact CD1-CD1 4.48Å; I323-L395 HydrophobicContact CG1-CD1 3.69Å; I323-L395 HydrophobicContact CG1-CG 4.49Å
324D95.7Very high95.4Very high67 Ų6742.1 Ų42.136%0.35821%0.209SC..Hα-helixtrans-62.8-42.5-179.7-57.4-17.8000110.9Q320 L322 K326 D327 D328Q320-D324 PolarHBondContact NE2-OD1 3.36Å; Q320-D324 PolarHBondContact O-N 3.12Å; L322-D324 VanDerWaalsContact C-N 3.34Å; D324-K326 VanDerWaalsContact C-N 3.27Å; D324-K326 PolarHBondContact O-N 2.97Å; D324-D327 PolarHBondContact O-N 3.24Å; D324-D328 PolarHBondContact O-N 3.29Å
325L95.7Very high95.7Very high7 Ų743.9 Ų43.94%0.03721%0.212CC..Hα-helixtrans-61.6-36.8173.7-17963.2000111.9Q299 N321 L322 I323 D328 C329 F351 F354Q299-L325 HydrophobicContact CB-CD2 4.42Å; N321-L325 WeakPolarHBondContact O-CB 3.25Å; N321-L325 PolarHBondContact O-N 2.92Å; L322-L325 PolarHBondContact O-N 3.05Å; I323-L325 VanDerWaalsContact C-N 3.34Å; I323-L325 PolarHBondContact O-N 2.72Å; L325-D328 PolarHBondContact O-N 2.74Å; L325-C329 PolarHBondContact O-N 3.08Å; L325-C329 PolarHBondContact O-SG 3.29Å; L325-F351 HydrophobicContact CB-CZ 4.24Å; L325-F351 HydrophobicContact CD2-CZ 4.13Å; L325-F351 HydrophobicContact CG-CZ 3.87Å; L325-F354 HydrophobicContact CD2-CZ 4.25Å
326K96.2Very high95.9Very high27 Ų2742.1 Ų42.112%0.11720%0.201CC..Hα-helixtrans-68.3-42.2178.4-175.657.3168.564.20111.1L322 I323 D324 D328 C329 D330 I347 F351L322-K326 WeakPolarHBondContact O-CB 3.47Å; L322-K326 PolarHBondContact O-N 2.81Å; I323-K326 WeakPolarHBondContact O-CA 3.42Å; I323-K326 WeakPolarHBondContact O-CB 3.41Å; I323-K326 PolarHBondContact O-N 2.91Å; D324-K326 VanDerWaalsContact C-N 3.27Å; D324-K326 PolarHBondContact O-N 2.97Å; K326-D328 VanDerWaalsContact C-N 3.32Å; K326-D328 PolarHBondContact O-N 3.27Å; K326-C329 PolarHBondContact O-N 2.84Å; K326-D330 IonicContact NZ-OD1 3.18Å; K326-D330 PolarHBondContact NZ-OD1 3.11Å; K326-D330 IonicContact NZ-OD2 3.49Å; K326-D330 PolarHBondContact NZ-OD2 2.85Å; K326-D330 WeakPolarHBondContact O-CB 3.32Å; K326-D330 VanDerWaalsContact O-CG 3.3Å; K326-D330 PolarHBondContact O-N 2.89Å; K326-I347 HydrophobicContact CD-CG2 4.43Å; K326-F351 VanDerWaalsContact CA-CZ 3.41Å; K326-F351 HydrophobicContact CB-CE1 3.62Å; K326-F351 HydrophobicContact CB-CZ 3.64Å; K326-F351 HydrophobicContact CD-CD1 4.31Å; K326-F351 HydrophobicContact CD-CD2 4.2Å; K326-F351 HydrophobicContact CD-CE1 4.02Å; K326-F351 HydrophobicContact CD-CE2 3.88Å; K326-F351 HydrophobicContact CD-CG 4.4Å; K326-F351 HydrophobicContact CD-CZ 3.79Å; K326-F351 HydrophobicContact CG-CE1 4.28Å; K326-F351 HydrophobicContact CG-CZ 4.3Å
327D96.4Very high96.2Very high56 Ų5641 Ų4130%0.29919%0.194SC..Hα-helixtrans-59.5-43.4175.6-72.6-27.5000111I323 D324 D330 R331 K391I323-D327 PolarHBondContact O-N 3.45Å; D324-D327 PolarHBondContact O-N 3.24Å; D327-D330 PolarHBondContact O-N 2.96Å; D327-R331 WeakPolarHBondContact O-CB 3.45Å; D327-R331 PolarHBondContact O-N 3.48Å; D327-K391 WeakPolarHBondContact OD1-CE 3.49Å; D327-K391 IonicContact OD1-NZ 2.69Å; D327-K391 PolarHBondContact OD1-NZ 2.78Å; D327-K391 IonicContact OD2-NZ 3.61Å; D327-K391 PolarHBondContact OD2-NZ 3.43Å
328D95.1Very high96.3Very high62 Ų6240.4 Ų40.433%0.33219%0.193SC..Hα-helixtrans-61.7-45.2174.6-80.8-32.8000112.2D324 L325 K326 D330 R331 F332D324-D328 PolarHBondContact O-N 3.29Å; L325-D328 PolarHBondContact O-N 2.74Å; K326-D328 VanDerWaalsContact C-N 3.32Å; K326-D328 PolarHBondContact O-N 3.27Å; D328-D330 VanDerWaalsContact C-N 3.35Å; D328-D330 PolarHBondContact O-N 2.99Å; D328-R331 WeakPolarHBondContact O-CB 3.49Å; D328-R331 PolarHBondContact O-N 3.45Å; D328-R331 IonicContact OD1-CZ 3.78Å; D328-R331 IonicContact OD1-NE 2.64Å; D328-R331 IonicContact OD1-NH2 2.66Å; D328-R331 PolarHBondContact OD1-NH2 3.43Å; D328-F332 HydrophobicContact CB-CE2 4.42Å; D328-F332 WeakPolarHBondContact O-CD2 3.46Å; D328-F332 PolarHBondContact O-N 3Å
329C96.4Very high96.4Very high8 Ų844 Ų445%0.05422%0.218CC..Hα-helixtrans-62.8-41.1177.7-65.90000112.3L296 L325 K326 R331 F332 L333 I347 F351L296-C329 WeakPolarHBondContact CD2-SG 3.43Å; L325-C329 PolarHBondContact O-N 3.08Å; L325-C329 PolarHBondContact O-SG 3.29Å; K326-C329 PolarHBondContact O-N 2.84Å; C329-R331 VanDerWaalsContact C-N 3.31Å; C329-R331 PolarHBondContact O-N 2.87Å; C329-F332 PolarHBondContact O-N 3.12Å; C329-L333 WeakPolarHBondContact O-CB 3.45Å; C329-L333 PolarHBondContact O-N 3.39Å; C329-I347 HydrophobicContact CB-CD1 4.26Å; C329-I347 HydrophobicContact CB-CG2 4Å; C329-F351 HydrophobicContact CB-CE2 4.44Å
330D95.9Very high96.5Very high62 Ų6245.3 Ų45.333%0.33223%0.225SC..Hα-helixtrans-66.8-35.2178.1-72.1-19.4000111.4K326 D327 D328 L333 K334K326-D330 IonicContact NZ-OD1 3.18Å; K326-D330 PolarHBondContact NZ-OD1 3.11Å; K326-D330 IonicContact NZ-OD2 3.49Å; K326-D330 PolarHBondContact NZ-OD2 2.85Å; K326-D330 WeakPolarHBondContact O-CB 3.32Å; K326-D330 VanDerWaalsContact O-CG 3.3Å; K326-D330 PolarHBondContact O-N 2.89Å; D327-D330 PolarHBondContact O-N 2.96Å; D328-D330 VanDerWaalsContact C-N 3.35Å; D328-D330 PolarHBondContact O-N 2.99Å; D330-L333 PolarHBondContact O-N 2.81Å; D330-K334 WeakPolarHBondContact O-CB 3.36Å; D330-K334 PolarHBondContact O-N 3.46Å
331R97.1Very high96.5Very high87 Ų8747.2 Ų47.233%0.32824%0.243SC..Hα-helixtrans-64.8-48.3172.9-172.5171.152126.71.5111.4N266 F268 D327 D328 C329 L333 K334 E335N266-R331 PolarHBondContact OD1-NH2 3.05Å; F268-R331 HydrophobicContact CE1-CG 3.88Å; F268-R331 HydrophobicContact CZ-CG 3.81Å; D327-R331 WeakPolarHBondContact O-CB 3.45Å; D327-R331 PolarHBondContact O-N 3.48Å; D328-R331 WeakPolarHBondContact O-CB 3.49Å; D328-R331 PolarHBondContact O-N 3.45Å; D328-R331 IonicContact OD1-CZ 3.78Å; D328-R331 IonicContact OD1-NE 2.64Å; D328-R331 IonicContact OD1-NH2 2.66Å; D328-R331 PolarHBondContact OD1-NH2 3.43Å; C329-R331 VanDerWaalsContact C-N 3.31Å; C329-R331 PolarHBondContact O-N 2.87Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.39Å; R331-K334 PolarHBondContact O-N 3.3Å; R331-E335 WeakPolarHBondContact CG-OE1 3.07Å; R331-E335 WeakPolarHBondContact O-CB 3.3Å; R331-E335 PolarHBondContact O-N 3.2Å
332F97.3Very high96.6Very high13 Ų1349.1 Ų49.16%0.05725%0.251CS..Hα-helixtrans-58.9-43.6173.7-70.7-56.3000112.2L263 F268 L271 D328 C329 K334 A336 F337L263-F332 HydrophobicContact CD2-CD1 4.05Å; L263-F332 HydrophobicContact CD2-CD2 3.84Å; L263-F332 HydrophobicContact CD2-CE1 4.21Å; L263-F332 HydrophobicContact CD2-CE2 4Å; L263-F332 HydrophobicContact CD2-CG 3.89Å; L263-F332 HydrophobicContact CD2-CZ 4.19Å; L263-F332 VanDerWaalsContact O-CZ 3.26Å; L263-F332 WeakPolarHBondContact O-CZ 3.1Å; F268-F332 AromaticContact CD1-CD1 3.86Å; F268-F332 HydrophobicContact CD1-CD1 3.86Å; F268-F332 HydrophobicContact CD1-CE1 4.18Å; F268-F332 AromaticContact CE1-CD1 3.3Å; F268-F332 HydrophobicContact CE1-CD1 3.3Å; F268-F332 AromaticContact CE1-CE1 3.57Å; F268-F332 HydrophobicContact CE1-CE1 3.57Å; F268-F332 HydrophobicContact CE1-CG 4.16Å; F268-F332 HydrophobicContact CE2-CE1 4.29Å; F268-F332 AromaticContact CZ-CD1 3.83Å; F268-F332 HydrophobicContact CZ-CD1 3.83Å; F268-F332 AromaticContact CZ-CE1 3.61Å; F268-F332 HydrophobicContact CZ-CE1 3.61Å; F268-F332 HydrophobicContact CZ-CZ 4.34Å; L271-F332 HydrophobicContact CD1-CD1 3.58Å; L271-F332 HydrophobicContact CD1-CE1 3.69Å; D328-F332 HydrophobicContact CB-CE2 4.42Å; D328-F332 WeakPolarHBondContact O-CD2 3.46Å; D328-F332 PolarHBondContact O-N 3Å; C329-F332 PolarHBondContact O-N 3.12Å; F332-K334 VanDerWaalsContact C-N 3.29Å; F332-K334 PolarHBondContact O-N 2.93Å; F332-A336 WeakPolarHBondContact O-CA 3.43Å; F332-A336 WeakPolarHBondContact O-CB 3.48Å; F332-A336 PolarHBondContact O-N 3.27Å; F332-F337 HydrophobicContact CB-CD2 4.3Å; F332-F337 HydrophobicContact CB-CE2 4.03Å; F332-F337 WeakPolarHBondContact O-CD2 3.42Å; F332-F337 PolarHBondContact O-N 3.45Å
333L97.3Very high96.6Very high17 Ų1749.1 Ų49.19%0.08925%0.251CS..Hα-helixtrans-57.7-43.8177.818062.1000111.5C329 D330 R331 F337 E338 S339 N340 I343 I347C329-L333 WeakPolarHBondContact O-CB 3.45Å; C329-L333 PolarHBondContact O-N 3.39Å; D330-L333 PolarHBondContact O-N 2.81Å; R331-L333 VanDerWaalsContact C-N 3.32Å; R331-L333 PolarHBondContact O-N 3.39Å; L333-F337 HydrophobicContact CD1-CB 4.37Å; L333-F337 CarbonylContact O-C 3.51Å; L333-F337 VanDerWaalsContact O-C 3.32Å; L333-E338 PolarHBondContact O-N 3.32Å; L333-S339 WeakPolarHBondContact O-CA 3.38Å; L333-S339 PolarHBondContact O-N 2.96Å; L333-N340 WeakPolarHBondContact CD1-O 3.49Å; L333-I343 HydrophobicContact CD1-CB 4.08Å; L333-I343 HydrophobicContact CD1-CG2 3.91Å; L333-I347 HydrophobicContact CB-CD1 4.31Å
334K97.4Very high96.7Very high151 Ų15151 Ų5166%0.65726%0.264SS*.Hα-helixtrans-74.2-51.2-178.7-174.1-177.7177.9-172.70112.9D330 R331 F332D330-K334 WeakPolarHBondContact O-CB 3.36Å; D330-K334 PolarHBondContact O-N 3.46Å; R331-K334 PolarHBondContact O-N 3.3Å; F332-K334 VanDerWaalsContact C-N 3.29Å; F332-K334 PolarHBondContact O-N 2.93Å
335E96.9Very high96.7Very high108 Ų10853.4 Ų53.451%0.50527%0.271SS..Hα-helixtrans-88.1-35.2-167.8-67.1178.1-152.200112.9F268 R331F268-E335 HydrophobicContact CD1-CB 3.7Å; F268-E335 HydrophobicContact CE1-CB 4.13Å; F268-E335 HydrophobicContact CG-CB 4.48Å; R331-E335 WeakPolarHBondContact CG-OE1 3.07Å; R331-E335 WeakPolarHBondContact O-CB 3.3Å; R331-E335 PolarHBondContact O-N 3.2Å
336A97.2Very high96.8Very high0 Ų054.6 Ų54.60%028%0.278CS..THydrogen-bonded Turntrans-100.1-39-178.600000113.2F268 L271 N272 F332F268-A336 HydrophobicContact CD1-CB 4.31Å; L271-A336 HydrophobicContact CB-CB 3.56Å; L271-A336 HydrophobicContact CD1-CB 4.22Å; N272-A336 WeakPolarHBondContact CA-O 3.48Å; N272-A336 PolarHBondContact ND2-O 3.07Å; F332-A336 WeakPolarHBondContact O-CA 3.43Å; F332-A336 WeakPolarHBondContact O-CB 3.48Å; F332-A336 PolarHBondContact O-N 3.27Å
337F97.5Very high96.8Very high2 Ų253.6 Ų53.61%0.00927%0.273CS..SBendtrans-106.515.7-170.9-54.2-48.7000114.8L259 L271 Y275 L288 F332 L333 S339 N340 I343L259-F337 HydrophobicContact CD1-CZ 4.45Å; L271-F337 HydrophobicContact CB-CE1 4.46Å; L271-F337 HydrophobicContact CD2-CZ 4.33Å; Y275-F337 HydrophobicContact CD2-CD1 4.07Å; Y275-F337 AromaticContact CG-CD1 3.97Å; Y275-F337 HydrophobicContact CG-CD1 3.97Å; L288-F337 HydrophobicContact CD2-CD1 4.42Å; L288-F337 HydrophobicContact CD2-CE1 4.23Å; F332-F337 HydrophobicContact CB-CD2 4.3Å; F332-F337 HydrophobicContact CB-CE2 4.03Å; F332-F337 WeakPolarHBondContact O-CD2 3.42Å; F332-F337 PolarHBondContact O-N 3.45Å; L333-F337 HydrophobicContact CD1-CB 4.37Å; L333-F337 CarbonylContact O-C 3.51Å; L333-F337 VanDerWaalsContact O-C 3.32Å; F337-S339 PolarHBondContact O-N 2.75Å; F337-N340 WeakPolarHBondContact O-CB 3.24Å; F337-N340 PolarHBondContact O-N 2.86Å; F337-I343 HydrophobicContact CB-CD1 3.76Å; F337-I343 HydrophobicContact CD1-CD1 4.07Å; F337-I343 HydrophobicContact CD2-CD1 4.32Å; F337-I343 HydrophobicContact CD2-CG2 4.04Å; F337-I343 HydrophobicContact CG-CD1 3.81Å
338E97.2Very high96.8Very high90 Ų9053 Ų5342%0.42127%0.274SS..THydrogen-bonded Turntrans5333172.6-56.1-177.8176.400114.4Y275 R276 L333 N340Y275-E338 HydrophobicContact CD1-CG 4.49Å; Y275-E338 HydrophobicContact CE1-CB 4.1Å; Y275-E338 HydrophobicContact CE1-CG 4Å; R276-E338 IonicContact CZ-OE1 3.83Å; R276-E338 IonicContact NE-OE1 2.66Å; R276-E338 PolarHBondContact NE-OE1 2.89Å; R276-E338 IonicContact NH2-OE1 3.05Å; R276-E338 PolarHBondContact NH2-OE1 3.39Å; L333-E338 PolarHBondContact O-N 3.32Å; E338-N340 VanDerWaalsContact C-N 3.25Å; E338-N340 PolarHBondContact O-N 3.06Å
339S96.7Very high96.9Very high78 Ų7853.2 Ų53.255%0.54528%0.28SS..THydrogen-bonded Turntrans56.833.7-176.8-53.20000114.4L333 F337 C341L333-S339 WeakPolarHBondContact O-CA 3.38Å; L333-S339 PolarHBondContact O-N 2.96Å; F337-S339 PolarHBondContact O-N 2.75Å; S339-C341 PolarHBondContact O-N 3.3Å
340N97.2Very high97Very high27 Ų2752.9 Ų52.914%0.14428%0.277CS..  trans-54.4126.5178.8-173.2-70.5000112.3Y275 L333 F337 E338 E342 I343 S344Y275-N340 HydrophobicContact CE2-CB 4.38Å; Y275-N340 WeakPolarHBondContact OH-CB 3.03Å; Y275-N340 PolarHBondContact OH-ND2 3.3Å; L333-N340 WeakPolarHBondContact CD1-O 3.49Å; F337-N340 WeakPolarHBondContact O-CB 3.24Å; F337-N340 PolarHBondContact O-N 2.86Å; E338-N340 VanDerWaalsContact C-N 3.25Å; E338-N340 PolarHBondContact O-N 3.06Å; N340-E342 VanDerWaalsContact C-N 3.34Å; N340-E342 PolarHBondContact O-N 3Å; N340-E342 WeakPolarHBondContact OD1-CB 3.49Å; N340-E342 PolarHBondContact OD1-N 3.16Å; N340-I343 HydrophobicContact CB-CB 4.23Å; N340-I343 HydrophobicContact CB-CD1 3.98Å; N340-I343 HydrophobicContact CB-CG1 4.16Å; N340-I343 PolarHBondContact O-N 3.21Å; N340-I343 PolarHBondContact OD1-N 3.2Å; N340-S344 PolarHBondContact O-N 3.22Å
341C96.4Very high97Very high87 Ų8749.9 Ų49.959%0.58826%0.262SS*.Hα-helixtrans-68.2-31-174.265.70000113.4S339 K345S339-C341 PolarHBondContact O-N 3.3Å; C341-K345 WeakPolarHBondContact O-CG 3.4Å; C341-K345 PolarHBondContact O-N 3.5Å
342E95.9Very high97Very high77 Ų7747 Ų4736%0.3626%0.256SS..Hα-helixtrans-74.1-42.7179.9-160.357.7-149.300111L285 N340 S344 K345 I346L285-E342 HydrophobicContact CD2-CB 4.38Å; N340-E342 VanDerWaalsContact C-N 3.34Å; N340-E342 PolarHBondContact O-N 3Å; N340-E342 WeakPolarHBondContact OD1-CB 3.49Å; N340-E342 PolarHBondContact OD1-N 3.16Å; E342-S344 VanDerWaalsContact C-N 3.29Å; E342-S344 PolarHBondContact O-N 3.42Å; E342-K345 WeakPolarHBondContact O-CB 3.27Å; E342-K345 PolarHBondContact O-N 2.89Å; E342-K345 IonicContact OE2-NZ 3.51Å; E342-K345 PolarHBondContact OE2-NZ 3.3Å; E342-I346 WeakPolarHBondContact O-CG1 3.38Å; E342-I346 PolarHBondContact O-N 3.08Å
343I97.4Very high96.9Very high0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-60.4-42172.9-64.3174.6000110.4Y275 L285 L288 T289 L292 L333 F337 N340 K345 I346 I347Y275-I343 HydrophobicContact CD2-CD1 4.15Å; Y275-I343 HydrophobicContact CE2-CD1 3.9Å; L285-I343 HydrophobicContact CD1-CD1 4.15Å; L285-I343 HydrophobicContact CD1-CG1 4.2Å; L288-I343 HydrophobicContact CD2-CD1 4.03Å; T289-I343 HydrophobicContact CG2-CG1 3.8Å; L292-I343 HydrophobicContact CD2-CG2 3.68Å; L333-I343 HydrophobicContact CD1-CB 4.08Å; L333-I343 HydrophobicContact CD1-CG2 3.91Å; F337-I343 HydrophobicContact CB-CD1 3.76Å; F337-I343 HydrophobicContact CD1-CD1 4.07Å; F337-I343 HydrophobicContact CD2-CD1 4.32Å; F337-I343 HydrophobicContact CD2-CG2 4.04Å; F337-I343 HydrophobicContact CG-CD1 3.81Å; N340-I343 HydrophobicContact CB-CB 4.23Å; N340-I343 HydrophobicContact CB-CD1 3.98Å; N340-I343 HydrophobicContact CB-CG1 4.16Å; N340-I343 PolarHBondContact O-N 3.21Å; N340-I343 PolarHBondContact OD1-N 3.2Å; I343-K345 PolarHBondContact O-N 3.42Å; I343-I346 PolarHBondContact O-N 3.22Å; I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 HydrophobicContact CG2-CG1 4.43Å; I343-I347 WeakPolarHBondContact O-CG1 3.48Å; I343-I347 PolarHBondContact O-N 2.97Å
344S97.2Very high96.8Very high45 Ų4549.8 Ų49.832%0.31527%0.266SS..Hα-helixtrans-59.7-41.9175.3-174.70000113.3N340 E342 I346 S348N340-S344 PolarHBondContact O-N 3.22Å; E342-S344 VanDerWaalsContact C-N 3.29Å; E342-S344 PolarHBondContact O-N 3.42Å; S344-I346 VanDerWaalsContact C-N 3.34Å; S344-S348 WeakPolarHBondContact O-CB 3.28Å; S344-S348 PolarHBondContact O-N 3.04Å; S344-S348 PolarHBondContact O-OG 2.88Å
345K96.7Very high96.7Very high118 Ų11842.7 Ų42.751%0.51324%0.235SC..Hα-helixtrans-63.3-40.7174.8-71.6173-157.5160.50111.6C341 E342 I343 S348 S349C341-K345 WeakPolarHBondContact O-CG 3.4Å; C341-K345 PolarHBondContact O-N 3.5Å; E342-K345 WeakPolarHBondContact O-CB 3.27Å; E342-K345 PolarHBondContact O-N 2.89Å; E342-K345 IonicContact OE2-NZ 3.51Å; E342-K345 PolarHBondContact OE2-NZ 3.3Å; I343-K345 PolarHBondContact O-N 3.42Å; K345-S348 PolarHBondContact O-N 2.96Å; K345-S349 VanDerWaalsContact O-CB 3.27Å; K345-S349 WeakPolarHBondContact O-CB 3.5Å; K345-S349 PolarHBondContact O-N 3.47Å
346I97.1Very high96.6Very high32 Ų3239.3 Ų39.316%0.16422%0.22CC..Hα-helixtrans-68-45.6-179.3-70174.2000110.8T289 E342 I343 S344 S348 S349 D350T289-I346 HydrophobicContact CG2-CD1 3.59Å; E342-I346 WeakPolarHBondContact O-CG1 3.38Å; E342-I346 PolarHBondContact O-N 3.08Å; I343-I346 PolarHBondContact O-N 3.22Å; S344-I346 VanDerWaalsContact C-N 3.34Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 3.45Å; I346-S349 WeakPolarHBondContact O-CB 3.33Å; I346-S349 PolarHBondContact O-N 3.18Å; I346-D350 WeakPolarHBondContact O-CB 3.42Å; I346-D350 VanDerWaalsContact O-CG 3.31Å; I346-D350 PolarHBondContact O-N 3.43Å
347I97.4Very high96.4Very high5 Ų542.7 Ų42.73%0.02624%0.238CC..Hα-helixtrans-54.2-50.8171.3-67.4165.7000109.7L292 L296 K326 C329 L333 I343 S349 D350 F351L292-I347 HydrophobicContact CD2-CG1 4.47Å; L296-I347 HydrophobicContact CD1-CB 4.47Å; L296-I347 HydrophobicContact CD1-CG1 3.84Å; K326-I347 HydrophobicContact CD-CG2 4.43Å; C329-I347 HydrophobicContact CB-CD1 4.26Å; C329-I347 HydrophobicContact CB-CG2 4Å; L333-I347 HydrophobicContact CB-CD1 4.31Å; I343-I347 HydrophobicContact CG2-CD1 3.91Å; I343-I347 HydrophobicContact CG2-CG1 4.43Å; I343-I347 WeakPolarHBondContact O-CG1 3.48Å; I343-I347 PolarHBondContact O-N 2.97Å; I347-S349 VanDerWaalsContact C-N 3.34Å; I347-S349 PolarHBondContact O-N 2.88Å; I347-D350 PolarHBondContact O-N 3.37Å; I347-F351 HydrophobicContact CG2-CD2 3.81Å; I347-F351 HydrophobicContact CG2-CE2 3.9Å; I347-F351 VanDerWaalsContact O-CD2 3.28Å; I347-F351 WeakPolarHBondContact O-CD2 3.48Å; I347-F351 PolarHBondContact O-N 3.49Å
348S96.5Very high96Very high45 Ų4543 Ų4332%0.31524%0.24SC..Hα-helixtrans-61.2-41.7-179.4-59.50000112.8S344 K345 I346 A352S344-S348 WeakPolarHBondContact O-CB 3.28Å; S344-S348 PolarHBondContact O-N 3.04Å; S344-S348 PolarHBondContact O-OG 2.88Å; K345-S348 PolarHBondContact O-N 2.96Å; I346-S348 VanDerWaalsContact C-N 3.31Å; I346-S348 PolarHBondContact O-N 3.45Å; S348-A352 WeakPolarHBondContact O-CB 3.49Å; S348-A352 PolarHBondContact O-N 2.67Å
349S96.4Very high95.5Very high65 Ų6542.6 Ų42.646%0.45524%0.24SC..Hα-helixtrans-63.6-43.2177.2-175.60000111.7K345 I346 I347 A352 Y353K345-S349 VanDerWaalsContact O-CB 3.27Å; K345-S349 WeakPolarHBondContact O-CB 3.5Å; K345-S349 PolarHBondContact O-N 3.47Å; I346-S349 WeakPolarHBondContact O-CB 3.33Å; I346-S349 PolarHBondContact O-N 3.18Å; I347-S349 VanDerWaalsContact C-N 3.34Å; I347-S349 PolarHBondContact O-N 2.88Å; S349-A352 WeakPolarHBondContact O-CB 3.5Å; S349-A352 PolarHBondContact O-N 3.38Å; S349-Y353 PolarHBondContact O-N 3.46Å
350D97.7Very high95.2Very high1 Ų142.9 Ų42.91%0.00523%0.229CC..Hα-helixtrans-72.2-38.6-179-69.2-24.4000112S293 L296 R297 I346 I347 A352 Y353 F354S293-D350 WeakPolarHBondContact CA-OD2 3.44Å; S293-D350 WeakPolarHBondContact CB-OD2 3.49Å; S293-D350 PolarHBondContact OG-OD1 3.04Å; S293-D350 VanDerWaalsContact OG-OD1 3.07Å; S293-D350 PolarHBondContact OG-OD2 2.76Å; L296-D350 HydrophobicContact CB-CB 4.35Å; R297-D350 HydrophobicContact CG-CB 4.15Å; R297-D350 IonicContact CZ-OD1 2.76Å; R297-D350 VanDerWaalsContact CZ-OD1 3.3Å; R297-D350 IonicContact NE-OD1 2.65Å; R297-D350 PolarHBondContact NE-OD1 3.32Å; R297-D350 IonicContact NH2-OD1 2.75Å; R297-D350 PolarHBondContact NH2-OD1 2.87Å; I346-D350 WeakPolarHBondContact O-CB 3.42Å; I346-D350 VanDerWaalsContact O-CG 3.31Å; I346-D350 PolarHBondContact O-N 3.43Å; I347-D350 PolarHBondContact O-N 3.37Å; D350-A352 VanDerWaalsContact C-N 3.33Å; D350-A352 PolarHBondContact O-N 3.04Å; D350-Y353 WeakPolarHBondContact O-CB 3.43Å; D350-Y353 PolarHBondContact O-N 2.87Å; D350-Y353 VanDerWaalsContact O-N 3.11Å; D350-F354 HydrophobicContact CB-CE1 4.44Å; D350-F354 WeakPolarHBondContact O-CD1 3.31Å; D350-F354 VanDerWaalsContact O-CE1 3.24Å; D350-F354 WeakPolarHBondContact O-CE1 3.48Å; D350-F354 WeakPolarHBondContact O-CG 3.48Å; D350-F354 PolarHBondContact O-N 3.06Å
351F97.5Very high95Very high0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-59.7-43.5169.7-89.8-99.7000112L322 L325 K326 C329 I347 Y353 F354 L355 L395 L398L322-F351 WeakPolarHBondContact O-CE1 3.44Å; L325-F351 HydrophobicContact CB-CZ 4.24Å; L325-F351 HydrophobicContact CD2-CZ 4.13Å; L325-F351 HydrophobicContact CG-CZ 3.87Å; K326-F351 VanDerWaalsContact CA-CZ 3.41Å; K326-F351 HydrophobicContact CB-CE1 3.62Å; K326-F351 HydrophobicContact CB-CZ 3.64Å; K326-F351 HydrophobicContact CD-CD1 4.31Å; K326-F351 HydrophobicContact CD-CD2 4.2Å; K326-F351 HydrophobicContact CD-CE1 4.02Å; K326-F351 HydrophobicContact CD-CE2 3.88Å; K326-F351 HydrophobicContact CD-CG 4.4Å; K326-F351 HydrophobicContact CD-CZ 3.79Å; K326-F351 HydrophobicContact CG-CE1 4.28Å; K326-F351 HydrophobicContact CG-CZ 4.3Å; C329-F351 HydrophobicContact CB-CE2 4.44Å; I347-F351 HydrophobicContact CG2-CD2 3.81Å; I347-F351 HydrophobicContact CG2-CE2 3.9Å; I347-F351 VanDerWaalsContact O-CD2 3.28Å; I347-F351 WeakPolarHBondContact O-CD2 3.48Å; I347-F351 PolarHBondContact O-N 3.49Å; F351-Y353 VanDerWaalsContact C-N 3.31Å; F351-Y353 PolarHBondContact O-N 2.83Å; F351-F354 VanDerWaalsContact CA-CZ 3.41Å; F351-F354 HydrophobicContact CB-CE1 4.48Å; F351-F354 HydrophobicContact CB-CE2 4.22Å; F351-F354 HydrophobicContact CB-CZ 3.92Å; F351-F354 AromaticContact CD1-CE2 3.56Å; F351-F354 HydrophobicContact CD1-CE2 3.56Å; F351-F354 AromaticContact CD1-CZ 3.41Å; F351-F354 HydrophobicContact CD1-CZ 3.41Å; F351-F354 VanDerWaalsContact CD1-CZ 3.41Å; F351-F354 HydrophobicContact CD2-CE1 4.13Å; F351-F354 HydrophobicContact CD2-CE2 4.5Å; F351-F354 AromaticContact CD2-CZ 3.58Å; F351-F354 HydrophobicContact CD2-CZ 3.58Å; F351-F354 AromaticContact CE1-CE2 3.96Å; F351-F354 HydrophobicContact CE1-CE2 3.96Å; F351-F354 AromaticContact CE1-CZ 3.68Å; F351-F354 HydrophobicContact CE1-CZ 3.68Å; F351-F354 AromaticContact CE2-CZ 3.86Å; F351-F354 HydrophobicContact CE2-CZ 3.86Å; F351-F354 HydrophobicContact CG-CE1 4.16Å; F351-F354 AromaticContact CG-CE2 3.86Å; F351-F354 HydrophobicContact CG-CE2 3.86Å; F351-F354 AromaticContact CG-CZ 3.35Å; F351-F354 HydrophobicContact CG-CZ 3.35Å; F351-F354 AromaticContact CZ-CZ 3.89Å; F351-F354 HydrophobicContact CZ-CZ 3.89Å; F351-L355 WeakPolarHBondContact O-CB 3.35Å; F351-L355 PolarHBondContact O-N 3.29Å; F351-L395 HydrophobicContact CD1-CD2 4.09Å; F351-L398 HydrophobicContact CB-CD1 3.51Å; F351-L398 HydrophobicContact CG-CD1 4.43Å
352A95.6Very high95Very high25 Ų2537.6 Ų37.621%0.20720%0.195CC..Hα-helixtrans-61.4-40.8172.900000111.4S348 S349 D350 N356 L398S348-A352 WeakPolarHBondContact O-CB 3.49Å; S348-A352 PolarHBondContact O-N 2.67Å; S349-A352 WeakPolarHBondContact O-CB 3.5Å; S349-A352 PolarHBondContact O-N 3.38Å; D350-A352 VanDerWaalsContact C-N 3.33Å; D350-A352 PolarHBondContact O-N 3.04Å; A352-N356 WeakPolarHBondContact O-CB 3.31Å; A352-N356 PolarHBondContact O-N 2.97Å; A352-N356 PolarHBondContact O-ND2 3.11Å; A352-L398 HydrophobicContact CB-CB 4.2Å; A352-L398 HydrophobicContact CB-CD2 4.37Å
353Y96Very high94.8Very high90 Ų9035.2 Ų35.235%0.35319%0.185SC..Hα-helixtrans-58.8-57.4177.9168.2-98.1000112R297 S349 D350 F351 N356 L357R297-Y353 HydrophobicContact CB-CD1 4.47Å; R297-Y353 HydrophobicContact CB-CE1 4.4Å; R297-Y353 HydrophobicContact CG-CD1 3.93Å; R297-Y353 HydrophobicContact CG-CE1 4.24Å; S349-Y353 PolarHBondContact O-N 3.46Å; D350-Y353 WeakPolarHBondContact O-CB 3.43Å; D350-Y353 PolarHBondContact O-N 2.87Å; D350-Y353 VanDerWaalsContact O-N 3.11Å; F351-Y353 VanDerWaalsContact C-N 3.31Å; F351-Y353 PolarHBondContact O-N 2.83Å; Y353-N356 PolarHBondContact O-N 2.89Å; Y353-L357 HydrophobicContact CE1-CD1 4.03Å; Y353-L357 HydrophobicContact CE1-CD2 4.46Å; Y353-L357 HydrophobicContact CE1-CG 4.47Å; Y353-L357 HydrophobicContact CE2-CD2 4.28Å; Y353-L357 PolarHBondContact O-N 2.91Å
354F95.3Very high94.7Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-77.8-27.7-173.857-113.7000113.8V304 L322 L325 D350 F351 N356 L357V304-F354 WeakPolarHBondContact CG2-O 3.49Å; L322-F354 HydrophobicContact CD2-CD2 4.19Å; L322-F354 HydrophobicContact CD2-CE2 3.8Å; L325-F354 HydrophobicContact CD2-CZ 4.25Å; D350-F354 HydrophobicContact CB-CE1 4.44Å; D350-F354 WeakPolarHBondContact O-CD1 3.31Å; D350-F354 VanDerWaalsContact O-CE1 3.24Å; D350-F354 WeakPolarHBondContact O-CE1 3.48Å; D350-F354 WeakPolarHBondContact O-CG 3.48Å; D350-F354 PolarHBondContact O-N 3.06Å; F351-F354 VanDerWaalsContact CA-CZ 3.41Å; F351-F354 HydrophobicContact CB-CE1 4.48Å; F351-F354 HydrophobicContact CB-CE2 4.22Å; F351-F354 HydrophobicContact CB-CZ 3.92Å; F351-F354 AromaticContact CD1-CE2 3.56Å; F351-F354 HydrophobicContact CD1-CE2 3.56Å; F351-F354 AromaticContact CD1-CZ 3.41Å; F351-F354 HydrophobicContact CD1-CZ 3.41Å; F351-F354 VanDerWaalsContact CD1-CZ 3.41Å; F351-F354 HydrophobicContact CD2-CE1 4.13Å; F351-F354 HydrophobicContact CD2-CE2 4.5Å; F351-F354 AromaticContact CD2-CZ 3.58Å; F351-F354 HydrophobicContact CD2-CZ 3.58Å; F351-F354 AromaticContact CE1-CE2 3.96Å; F351-F354 HydrophobicContact CE1-CE2 3.96Å; F351-F354 AromaticContact CE1-CZ 3.68Å; F351-F354 HydrophobicContact CE1-CZ 3.68Å; F351-F354 AromaticContact CE2-CZ 3.86Å; F351-F354 HydrophobicContact CE2-CZ 3.86Å; F351-F354 HydrophobicContact CG-CE1 4.16Å; F351-F354 AromaticContact CG-CE2 3.86Å; F351-F354 HydrophobicContact CG-CE2 3.86Å; F351-F354 AromaticContact CG-CZ 3.35Å; F351-F354 HydrophobicContact CG-CZ 3.35Å; F351-F354 AromaticContact CZ-CZ 3.89Å; F351-F354 HydrophobicContact CZ-CZ 3.89Å; F354-N356 PolarHBondContact O-N 3Å; F354-L357 HydrophobicContact CB-CD1 4.06Å; F354-L357 PolarHBondContact O-N 2.87Å
355L95.3Very high94.7Very high2 Ų233.7 Ų33.71%0.0117%0.172CC..Hα-helixtrans-62.9-35.1174.2-177.865.6000111.1L322 F351 A361 L395 L398 L399L322-L355 HydrophobicContact CD1-CD1 3.68Å; F351-L355 WeakPolarHBondContact O-CB 3.35Å; F351-L355 PolarHBondContact O-N 3.29Å; L355-A361 HydrophobicContact CD1-CB 4.03Å; L355-A361 HydrophobicContact CG-CB 4.37Å; L355-A361 WeakPolarHBondContact O-CB 3.44Å; L355-L395 HydrophobicContact CD2-CB 4.39Å; L355-L395 WeakPolarHBondContact CD2-O 3.44Å; L355-L398 HydrophobicContact CD2-CB 4Å; L355-L399 HydrophobicContact CD1-CD2 4.3Å; L355-L399 HydrophobicContact CD2-CD2 3.6Å; L355-L399 HydrophobicContact CD2-CG 4Å; L355-L399 HydrophobicContact CG-CD2 3.72Å
356N93.9Very high94.6Very high36 Ų3628.1 Ų28.119%0.19315%0.148CC..THydrogen-bonded Turntrans-92.58.8-179.3-63.3-73.6000113.7A352 Y353 F354 L398 Q400A352-N356 WeakPolarHBondContact O-CB 3.31Å; A352-N356 PolarHBondContact O-N 2.97Å; A352-N356 PolarHBondContact O-ND2 3.11Å; Y353-N356 PolarHBondContact O-N 2.89Å; F354-N356 PolarHBondContact O-N 3Å; N356-L398 PolarHBondContact ND2-O 3Å; N356-Q400 HydrophobicContact CB-CG 4.39Å; N356-Q400 PolarHBondContact OD1-N 2.98Å
357L93.4Very high94.5Very high72 Ų7228.6 Ų28.638%0.37715%0.151SC..THydrogen-bonded Turntrans-71.3-28.7172.4-75.3174000113R301 V304 Y353 F354R301-L357 HydrophobicContact CG-CD1 3.72Å; V304-L357 HydrophobicContact CG1-CB 4.33Å; Y353-L357 HydrophobicContact CE1-CD1 4.03Å; Y353-L357 HydrophobicContact CE1-CD2 4.46Å; Y353-L357 HydrophobicContact CE1-CG 4.47Å; Y353-L357 HydrophobicContact CE2-CD2 4.28Å; Y353-L357 PolarHBondContact O-N 2.91Å; F354-L357 HydrophobicContact CB-CD1 4.06Å; F354-L357 PolarHBondContact O-N 2.87Å
358D88.9Confident94.4Very high9 Ų928.4 Ų28.45%0.04815%0.149CC..SBendtrans-107.5120.3172.3-165.2-40.1000109.3V304 R360 A361V304-D358 HydrophobicContact CG1-CB 4.33Å; D358-R360 PolarHBondContact O-N 2.96Å; D358-R360 VanDerWaalsContact OD1-CB 3.3Å; D358-R360 WeakPolarHBondContact OD1-CB 3.33Å; D358-R360 IonicContact OD1-CZ 2.67Å; D358-R360 PolarHBondContact OD1-N 2.7Å; D358-R360 IonicContact OD1-NE 2.75Å; D358-R360 PolarHBondContact OD1-NE 3.36Å; D358-R360 VanDerWaalsContact OD1-NE 3.12Å; D358-R360 IonicContact OD1-NH2 2.65Å; D358-R360 IonicContact OD2-CZ 3.6Å; D358-R360 IonicContact OD2-NE 3.47Å; D358-R360 IonicContact OD2-NH2 3.36Å; D358-R360 PolarHBondContact OD2-NH2 3.34Å; D358-A361 VanDerWaalsContact O-CB 3.31Å; D358-A361 WeakPolarHBondContact O-CB 3.02Å; D358-A361 PolarHBondContact O-N 2.96Å
359N87.4Confident94.3Very high81 Ų8126.6 Ų26.643%0.43314%0.136SC..THydrogen-bonded Turntrans-65.4-8.8179.865.416.4000113.8R665N359-R665 PolarHBondContact ND2-NH1 3.39Å; N359-R665 PolarHBondContact OD1-NH2 2.74Å
360R90Very high94Very high83 Ų8323.6 Ų23.631%0.31312%0.115SC..THydrogen-bonded Turntrans-92.3-3.6173.9-61.7169.6-65.4170.79.8113.1D358 P362 E363 Y364D358-R360 PolarHBondContact O-N 2.96Å; D358-R360 VanDerWaalsContact OD1-CB 3.3Å; D358-R360 WeakPolarHBondContact OD1-CB 3.33Å; D358-R360 IonicContact OD1-CZ 2.67Å; D358-R360 PolarHBondContact OD1-N 2.7Å; D358-R360 IonicContact OD1-NE 2.75Å; D358-R360 PolarHBondContact OD1-NE 3.36Å; D358-R360 VanDerWaalsContact OD1-NE 3.12Å; D358-R360 IonicContact OD1-NH2 2.65Å; D358-R360 IonicContact OD2-CZ 3.6Å; D358-R360 IonicContact OD2-NE 3.47Å; D358-R360 IonicContact OD2-NH2 3.36Å; D358-R360 PolarHBondContact OD2-NH2 3.34Å; R360-P362 VanDerWaalsContact C-N 3.28Å; R360-E363 WeakPolarHBondContact O-CA 3.48Å; R360-E363 VanDerWaalsContact O-CB 3.31Å; R360-E363 WeakPolarHBondContact O-CB 3.34Å; R360-E363 PolarHBondContact O-N 3Å; R360-Y364 HydrophobicContact CB-CD1 4.29Å; R360-Y364 HydrophobicContact CB-CD2 4.35Å; R360-Y364 HydrophobicContact CB-CE1 3.68Å; R360-Y364 HydrophobicContact CB-CE2 3.7Å; R360-Y364 WeakPolarHBondContact CD-OH 3.38Å; R360-Y364 PolarHBondContact NE-OH 2.97Å; R360-Y364 PolarHBondContact NH1-OH 3.06Å; R360-Y364 PolarHBondContact NH2-OH 2.61Å; R360-Y364 VanDerWaalsContact NH2-OH 3.08Å; R360-Y364 VanDerWaalsContact O-CG 3.3Å; R360-Y364 PolarHBondContact O-N 2.91Å
361A93.7Very high93.7Very high0 Ų026 Ų260%013%0.128CC..Hα-helixtrans-51.7-39176.700000114.3L355 D358 E363 Y364 L365 L399L355-A361 HydrophobicContact CD1-CB 4.03Å; L355-A361 HydrophobicContact CG-CB 4.37Å; L355-A361 WeakPolarHBondContact O-CB 3.44Å; D358-A361 VanDerWaalsContact O-CB 3.31Å; D358-A361 WeakPolarHBondContact O-CB 3.02Å; D358-A361 PolarHBondContact O-N 2.96Å; A361-E363 VanDerWaalsContact C-N 3.33Å; A361-E363 PolarHBondContact O-N 3.25Å; A361-Y364 PolarHBondContact O-N 3.09Å; A361-L365 PolarHBondContact O-N 2.66Å; A361-L399 HydrophobicContact CB-CD2 4.14Å
362P94.8Very high93.3Very high3 Ų328.8 Ų28.82%0.01914%0.138CC..Hα-helixtrans-58.9-40171.9-24.634.4000113.8R360 S366 L399 D401 I404 F405R360-P362 VanDerWaalsContact C-N 3.28Å; P362-S366 PolarHBondContact O-N 2.99Å; P362-S366 VanDerWaalsContact O-N 3.16Å; P362-L399 HydrophobicContact CB-CD1 4.26Å; P362-L399 HydrophobicContact CG-CD1 4.44Å; P362-L399 HydrophobicContact CG-CD2 4.18Å; P362-D401 HydrophobicContact CG-CB 4.3Å; P362-I404 HydrophobicContact CB-CB 4.01Å; P362-I404 HydrophobicContact CB-CG2 3.92Å; P362-I404 HydrophobicContact CG-CB 4.24Å; P362-I404 HydrophobicContact CG-CG2 4.3Å; P362-F405 HydrophobicContact CB-CB 3.92Å; P362-F405 WeakPolarHBondContact O-CD2 3.42Å
363E93.2Very high93Very high28 Ų2827.7 Ų27.713%0.13113%0.129CC..Hα-helixtrans-66-45.1175.2177.9-177.3-174.200111R360 A361 L365 S366 L367 Y408R360-E363 WeakPolarHBondContact O-CA 3.48Å; R360-E363 VanDerWaalsContact O-CB 3.31Å; R360-E363 WeakPolarHBondContact O-CB 3.34Å; R360-E363 PolarHBondContact O-N 3Å; A361-E363 VanDerWaalsContact C-N 3.33Å; A361-E363 PolarHBondContact O-N 3.25Å; E363-L365 VanDerWaalsContact C-N 3.3Å; E363-L365 PolarHBondContact O-N 3.04Å; E363-S366 CarbonylContact O-C 3.32Å; E363-S366 WeakPolarHBondContact O-CB 3.46Å; E363-S366 PolarHBondContact O-N 3.13Å; E363-S366 VanDerWaalsContact O-N 3.11Å; E363-L367 HydrophobicContact CG-CD1 4.03Å; E363-L367 WeakPolarHBondContact O-CB 3.36Å; E363-L367 PolarHBondContact O-N 2.72Å; E363-Y408 HydrophobicContact CB-CD1 4.15Å; E363-Y408 HydrophobicContact CB-CD2 3.73Å; E363-Y408 HydrophobicContact CB-CE1 4.14Å; E363-Y408 HydrophobicContact CB-CE2 3.76Å; E363-Y408 HydrophobicContact CB-CG 3.94Å; E363-Y408 HydrophobicContact CG-CD1 3.62Å; E363-Y408 HydrophobicContact CG-CD2 4.15Å; E363-Y408 HydrophobicContact CG-CE1 3.62Å; E363-Y408 HydrophobicContact CG-CE2 4.19Å; E363-Y408 HydrophobicContact CG-CG 3.88Å; E363-Y408 PolarHBondContact OE2-OH 3.43Å
364Y95.2Very high92.4Very high13 Ų1327.6 Ų27.65%0.05113%0.128CC..Hα-helixtrans-61.5-41-178.4-58-21.9000112L307 P315 F318 R360 A361 L367 F368L307-Y364 HydrophobicContact CD2-CD2 3.82Å; L307-Y364 HydrophobicContact CD2-CE2 3.3Å; P315-Y364 HydrophobicContact CB-CD1 3.5Å; P315-Y364 VanDerWaalsContact CB-CD1 3.5Å; P315-Y364 HydrophobicContact CB-CE1 4.12Å; P315-Y364 HydrophobicContact CB-CG 3.85Å; P315-Y364 HydrophobicContact CG-CD1 3.7Å; P315-Y364 HydrophobicContact CG-CE1 3.8Å; P315-Y364 HydrophobicContact CG-CG 4.43Å; F318-Y364 HydrophobicContact CD1-CD2 4.02Å; F318-Y364 HydrophobicContact CE1-CD2 4.13Å; R360-Y364 HydrophobicContact CB-CD1 4.29Å; R360-Y364 HydrophobicContact CB-CD2 4.35Å; R360-Y364 HydrophobicContact CB-CE1 3.68Å; R360-Y364 HydrophobicContact CB-CE2 3.7Å; R360-Y364 WeakPolarHBondContact CD-OH 3.38Å; R360-Y364 PolarHBondContact NE-OH 2.97Å; R360-Y364 PolarHBondContact NH1-OH 3.06Å; R360-Y364 PolarHBondContact NH2-OH 2.61Å; R360-Y364 VanDerWaalsContact NH2-OH 3.08Å; R360-Y364 VanDerWaalsContact O-CG 3.3Å; R360-Y364 PolarHBondContact O-N 2.91Å; A361-Y364 PolarHBondContact O-N 3.09Å; Y364-L367 HydrophobicContact CD1-CD1 4.48Å; Y364-L367 WeakPolarHBondContact O-CB 3.41Å; Y364-L367 PolarHBondContact O-N 2.72Å; Y364-F368 WeakPolarHBondContact O-CB 3.29Å; Y364-F368 PolarHBondContact O-N 2.66Å
365L97Very high91Very high0 Ų036.7 Ų36.70%016%0.162CC..Hα-helixtrans-64.5-41.8174.3-172.260.9000111.7I319 A361 E363 F368 I369 A392 L395 F396 L399 F405I319-L365 HydrophobicContact CD1-CB 4.24Å; I319-L365 HydrophobicContact CD1-CD1 4.38Å; I319-L365 HydrophobicContact CG2-CD1 3.82Å; A361-L365 PolarHBondContact O-N 2.66Å; E363-L365 VanDerWaalsContact C-N 3.3Å; E363-L365 PolarHBondContact O-N 3.04Å; L365-F368 PolarHBondContact O-N 2.89Å; L365-I369 HydrophobicContact CG-CD1 4.33Å; L365-I369 WeakPolarHBondContact O-CG1 3.49Å; L365-I369 PolarHBondContact O-N 3.27Å; L365-A392 HydrophobicContact CD1-CB 4.09Å; L365-L395 HydrophobicContact CD1-CB 4.39Å; L365-L395 HydrophobicContact CD2-CB 4.45Å; L365-F396 HydrophobicContact CD2-CB 3.75Å; L365-F396 HydrophobicContact CD2-CD2 4.36Å; L365-L399 HydrophobicContact CD2-CD1 3.64Å; L365-L399 HydrophobicContact CD2-CG 4.42Å; L365-F405 HydrophobicContact CB-CD2 4.26Å; L365-F405 HydrophobicContact CB-CE2 4.22Å; L365-F405 HydrophobicContact CD2-CD2 4.31Å; L365-F405 HydrophobicContact CD2-CE2 4.17Å; L365-F405 HydrophobicContact CG-CD2 4.37Å; L365-F405 HydrophobicContact CG-CE2 3.98Å
366S95.3Very high89.5Confident0 Ų040.4 Ų40.40%020%0.202CC..Hα-helixtrans-61.2-43.9173.9172.20000111.9P362 E363 F368 I369 D370 Y409P362-S366 PolarHBondContact O-N 2.99Å; P362-S366 VanDerWaalsContact O-N 3.16Å; E363-S366 CarbonylContact O-C 3.32Å; E363-S366 WeakPolarHBondContact O-CB 3.46Å; E363-S366 PolarHBondContact O-N 3.13Å; E363-S366 VanDerWaalsContact O-N 3.11Å; S366-F368 VanDerWaalsContact C-N 3.35Å; S366-I369 PolarHBondContact O-N 3.46Å; S366-D370 WeakPolarHBondContact O-CB 3.47Å; S366-D370 PolarHBondContact O-N 3Å; S366-Y409 VanDerWaalsContact OG-CA 3.26Å; S366-Y409 WeakPolarHBondContact OG-CA 3.36Å; S366-Y409 PolarHBondContact OG-N 3.42Å
367L93.7Very high88Confident43 Ų4340.4 Ų40.423%0.22520%0.204CC..Hα-helixtrans-60.6-42.2175.3-89.5164.7000112.2P315 E363 Y364 D370 D371 H412P315-L367 HydrophobicContact CB-CD1 3.94Å; P315-L367 HydrophobicContact CG-CD1 4.11Å; E363-L367 HydrophobicContact CG-CD1 4.03Å; E363-L367 WeakPolarHBondContact O-CB 3.36Å; E363-L367 PolarHBondContact O-N 2.72Å; Y364-L367 HydrophobicContact CD1-CD1 4.48Å; Y364-L367 WeakPolarHBondContact O-CB 3.41Å; Y364-L367 PolarHBondContact O-N 2.72Å; L367-D370 PolarHBondContact O-N 3.05Å; L367-D371 WeakPolarHBondContact O-CB 3.33Å; L367-D371 PolarHBondContact O-N 2.86Å; L367-H412 WeakPolarHBondContact CD2-CE1 3.37Å
368F94.9Very high86.5Confident1 Ų146.3 Ų46.30%0.00423%0.227CC..Hα-helixtrans-61.6-50.5176.9178-93000111.3V316 I319 Q320 I323 Y364 L365 S366 D370 D371 R372 I388 A392V316-F368 HydrophobicContact CB-CD2 4.48Å; V316-F368 HydrophobicContact CG1-CD2 3.75Å; V316-F368 HydrophobicContact CG1-CE2 4.32Å; V316-F368 WeakPolarHBondContact O-CD2 3.48Å; I319-F368 HydrophobicContact CB-CB 3.89Å; I319-F368 HydrophobicContact CB-CD2 3.82Å; I319-F368 HydrophobicContact CB-CG 3.88Å; I319-F368 HydrophobicContact CG1-CB 4.11Å; I319-F368 HydrophobicContact CG2-CB 3.81Å; I319-F368 HydrophobicContact CG2-CD1 3.77Å; I319-F368 HydrophobicContact CG2-CD2 3.75Å; I319-F368 HydrophobicContact CG2-CE1 4.26Å; I319-F368 HydrophobicContact CG2-CE2 4.24Å; I319-F368 HydrophobicContact CG2-CG 3.49Å; I319-F368 VanDerWaalsContact CG2-CG 3.49Å; I319-F368 HydrophobicContact CG2-CZ 4.47Å; Q320-F368 HydrophobicContact CB-CE2 4.11Å; I323-F368 HydrophobicContact CD1-CE1 3.74Å; I323-F368 HydrophobicContact CD1-CE2 4.48Å; I323-F368 HydrophobicContact CD1-CZ 3.67Å; Y364-F368 WeakPolarHBondContact O-CB 3.29Å; Y364-F368 PolarHBondContact O-N 2.66Å; L365-F368 PolarHBondContact O-N 2.89Å; S366-F368 VanDerWaalsContact C-N 3.35Å; F368-D370 VanDerWaalsContact C-N 3.31Å; F368-D370 PolarHBondContact O-N 2.93Å; F368-D371 WeakPolarHBondContact O-CB 3.43Å; F368-D371 PolarHBondContact O-N 2.76Å; F368-R372 HydrophobicContact CD1-CG 4.5Å; F368-R372 HydrophobicContact CE1-CG 4.18Å; F368-R372 HydrophobicContact CZ-CG 4.28Å; F368-R372 WeakPolarHBondContact O-CG 3.17Å; F368-R372 PolarHBondContact O-N 3.03Å; F368-R372 VanDerWaalsContact O-N 3.11Å; F368-I388 HydrophobicContact CE1-CG2 3.71Å; F368-I388 HydrophobicContact CZ-CG2 3.89Å; F368-A392 HydrophobicContact CD1-CB 4.37Å; F368-A392 HydrophobicContact CE1-CB 4.31Å
369I94.2Very high85.4Confident6 Ų651.2 Ų51.23%0.03127%0.269CS..Hα-helixtrans-62.1-42.3178.4-64.1167.2000110.5L365 S366 D371 R372 L373 A392 F405 Y409 V431L365-I369 HydrophobicContact CG-CD1 4.33Å; L365-I369 WeakPolarHBondContact O-CG1 3.49Å; L365-I369 PolarHBondContact O-N 3.27Å; S366-I369 PolarHBondContact O-N 3.46Å; I369-D371 PolarHBondContact O-N 3.13Å; I369-R372 PolarHBondContact O-N 3.25Å; I369-L373 HydrophobicContact CG2-CD1 3.63Å; I369-L373 HydrophobicContact CG2-CG 4.34Å; I369-L373 WeakPolarHBondContact O-CG 3.38Å; I369-L373 PolarHBondContact O-N 3.41Å; I369-A392 HydrophobicContact CD1-CB 4.28Å; I369-A392 HydrophobicContact CG1-CB 4.06Å; I369-F405 HydrophobicContact CD1-CE2 3.97Å; I369-F405 HydrophobicContact CD1-CZ 3.82Å; I369-Y409 HydrophobicContact CG2-CE2 3.87Å; I369-V431 HydrophobicContact CG2-CG1 4.46Å; I369-V431 HydrophobicContact CG2-CG2 4.4Å
370D91.2Very high84.9Confident2 Ų250.5 Ų50.51%0.01126%0.264CS..Hα-helixtrans-62.2-39.6176.3172.152.4000113.2S366 L367 F368 L373 R374 H412 R416S366-D370 WeakPolarHBondContact O-CB 3.47Å; S366-D370 PolarHBondContact O-N 3Å; L367-D370 PolarHBondContact O-N 3.05Å; F368-D370 VanDerWaalsContact C-N 3.31Å; F368-D370 PolarHBondContact O-N 2.93Å; D370-L373 PolarHBondContact O-N 3.45Å; D370-R374 VanDerWaalsContact CG-NE 3.34Å; D370-R374 VanDerWaalsContact O-CG 3.25Å; D370-R374 WeakPolarHBondContact O-CG 3.48Å; D370-R374 PolarHBondContact O-N 3.29Å; D370-R374 IonicContact OD1-CZ 2.75Å; D370-R374 IonicContact OD1-NE 3.12Å; D370-R374 PolarHBondContact OD1-NE 2.92Å; D370-R374 IonicContact OD1-NH2 3.51Å; D370-R374 IonicContact OD2-CZ 3.12Å; D370-R374 IonicContact OD2-NE 2.75Å; D370-R374 PolarHBondContact OD2-NE 3.39Å; D370-R374 VanDerWaalsContact OD2-NE 3.16Å; D370-R374 IonicContact OD2-NH2 2.67Å; D370-R374 PolarHBondContact OD2-NH2 2.99Å; D370-H412 HydrophobicContact CB-CB 3.96Å; D370-H412 IonicContact OD2-CE1 2.84Å; D370-H412 IonicContact OD2-CG 3.58Å; D370-H412 IonicContact OD2-ND1 3.82Å; D370-H412 PolarHBondContact OD2-ND1 3.06Å; D370-R416 VanDerWaalsContact CB-NH1 3.25Å; D370-R416 VanDerWaalsContact CG-NH1 3.29Å; D370-R416 VanDerWaalsContact OD1-CD 3.26Å; D370-R416 WeakPolarHBondContact OD1-CD 3.44Å; D370-R416 WeakPolarHBondContact OD1-CG 3.33Å; D370-R416 IonicContact OD1-CZ 3.71Å; D370-R416 IonicContact OD1-NE 3.86Å; D370-R416 IonicContact OD1-NH1 3.34Å; D370-R416 PolarHBondContact OD1-NH1 3.2Å
371D90.4Very high84.6Confident52 Ų5250.2 Ų50.228%0.27827%0.268SS..Hα-helixtrans-60.9-45.1173.7-17877.5000111.3V316 L367 F368 I369 L373 R374 S377V316-D371 HydrophobicContact CG1-CB 4.26Å; V316-D371 HydrophobicContact CG2-CB 3.97Å; L367-D371 WeakPolarHBondContact O-CB 3.33Å; L367-D371 PolarHBondContact O-N 2.86Å; F368-D371 WeakPolarHBondContact O-CB 3.43Å; F368-D371 PolarHBondContact O-N 2.76Å; I369-D371 PolarHBondContact O-N 3.13Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 3.15Å; D371-R374 PolarHBondContact O-N 3.45Å; D371-S377 VanDerWaalsContact O-CB 3.31Å; D371-S377 WeakPolarHBondContact O-CB 3.24Å; D371-S377 PolarHBondContact O-OG 3.33Å
372R89.7Confident84.2Confident59 Ų5955.4 Ų55.422%0.22330%0.296CS..Hα-helixtrans-68.4-27.4-180-60.1-58.9-177.5-128.98.8113.5F368 I369 L385 I388F368-R372 HydrophobicContact CD1-CG 4.5Å; F368-R372 HydrophobicContact CE1-CG 4.18Å; F368-R372 HydrophobicContact CZ-CG 4.28Å; F368-R372 WeakPolarHBondContact O-CG 3.17Å; F368-R372 PolarHBondContact O-N 3.03Å; F368-R372 VanDerWaalsContact O-N 3.11Å; I369-R372 PolarHBondContact O-N 3.25Å; R372-L385 HydrophobicContact CB-CD1 4.1Å; R372-I388 HydrophobicContact CG-CG2 4.14Å
373L89Confident84Confident2 Ų260.7 Ų60.71%0.0133%0.328CS..Hα-helixtrans-93.3-2.9-179.3-67.1172.1000115I369 D370 D371 L385 I389 V423 A427 V431I369-L373 HydrophobicContact CG2-CD1 3.63Å; I369-L373 HydrophobicContact CG2-CG 4.34Å; I369-L373 WeakPolarHBondContact O-CG 3.38Å; I369-L373 PolarHBondContact O-N 3.41Å; D370-L373 PolarHBondContact O-N 3.45Å; D371-L373 VanDerWaalsContact C-N 3.31Å; D371-L373 PolarHBondContact O-N 3.15Å; L373-L385 HydrophobicContact CD2-CD1 4.5Å; L373-L385 HydrophobicContact CD2-CD2 4.3Å; L373-I389 HydrophobicContact CD2-CD1 4.42Å; L373-V423 VanDerWaalsContact O-CG2 3.26Å; L373-V423 WeakPolarHBondContact O-CG2 3.5Å; L373-V423 PolarHBondContact O-N 2.87Å; L373-V423 VanDerWaalsContact O-N 3.13Å; L373-A427 HydrophobicContact CD2-CB 3.88Å; L373-V431 HydrophobicContact CD1-CG2 4.13Å
374R83.6Confident83.9Confident88 Ų8864 Ų6433%0.33234%0.344SS..BIsolated β-bridgetrans-84.5136.8-179.9-84.9173.2-165.7-162.210.3113D370 D371 G376 S377 R416 V423D370-R374 VanDerWaalsContact CG-NE 3.34Å; D370-R374 VanDerWaalsContact O-CG 3.25Å; D370-R374 WeakPolarHBondContact O-CG 3.48Å; D370-R374 PolarHBondContact O-N 3.29Å; D370-R374 IonicContact OD1-CZ 2.75Å; D370-R374 IonicContact OD1-NE 3.12Å; D370-R374 PolarHBondContact OD1-NE 2.92Å; D370-R374 IonicContact OD1-NH2 3.51Å; D370-R374 IonicContact OD2-CZ 3.12Å; D370-R374 IonicContact OD2-NE 2.75Å; D370-R374 PolarHBondContact OD2-NE 3.39Å; D370-R374 VanDerWaalsContact OD2-NE 3.16Å; D370-R374 IonicContact OD2-NH2 2.67Å; D370-R374 PolarHBondContact OD2-NH2 2.99Å; D371-R374 PolarHBondContact O-N 3.45Å; R374-G376 PolarHBondContact O-N 3.41Å; R374-S377 WeakPolarHBondContact O-CB 3.28Å; R374-S377 PolarHBondContact O-N 3.42Å; R374-S377 VanDerWaalsContact O-N 3.16Å; R374-S377 PolarHBondContact O-OG 3.29Å; R374-R416 HydrophobicContact CG-CG 4.22Å; R374-V423 VanDerWaalsContact O-CG2 3.28Å; R374-V423 WeakPolarHBondContact O-CG2 3.4Å
375R67Low83.6Confident190 Ų19063.8 Ų63.872%0.71734%0.343SS*.THydrogen-bonded Turntrans-59.8120175.2-143.2175.6-163-178.94.8110.7R421R375-R421 PolarHBondContact N-O 3.02Å
376G62.3Low83.4Confident81 Ų8166.7 Ų66.784%0.83536%0.357SS*.THydrogen-bonded Turntrans102.4-4.7-178.800000115.2R374R374-G376 PolarHBondContact O-N 3.41Å
377S62.2Low83.3Confident36 Ų3669.3 Ų69.325%0.25238%0.375SS..SBendtrans-63.6148159-58.80000108.6D371 R374 A379D371-S377 VanDerWaalsContact O-CB 3.31Å; D371-S377 WeakPolarHBondContact O-CB 3.24Å; D371-S377 PolarHBondContact O-OG 3.33Å; R374-S377 WeakPolarHBondContact O-CB 3.28Å; R374-S377 PolarHBondContact O-N 3.42Å; R374-S377 VanDerWaalsContact O-N 3.16Å; R374-S377 PolarHBondContact O-OG 3.29Å; S377-A379 PolarHBondContact O-N 3.05Å
378K63.9Low83.2Confident195 Ų19568.7 Ų68.785%0.84837%0.372SS*.  trans-35.8125.9-175.1-77.7-179.7175.7-179.50110.2M380K378-M380 WeakPolarHBondContact O-CG 3.35Å; K378-M380 PolarHBondContact O-N 3.33Å
379A65.1Low83.1Confident112 Ų11268.9 Ų68.993%0.92637%0.373SS*.  trans-58.9103.7-177.900000109.4S377S377-A379 PolarHBondContact O-N 3.05Å
380M76.1Confident83.2Confident67 Ų6772.1 Ų72.133%0.3339%0.39SS..  trans-99.8145.6173.9-47.9-164.866.700107.7K378 E384 I388K378-M380 WeakPolarHBondContact O-CG 3.35Å; K378-M380 PolarHBondContact O-N 3.33Å; M380-E384 HydrophobicContact CB-CB 4.48Å; M380-E384 HydrophobicContact CE-CB 3.95Å; M380-I388 HydrophobicContact CE-CD1 3.19Å; M380-I388 HydrophobicContact CE-CG1 4.48Å; M380-I388 HydrophobicContact SD-CD1 3.75Å
381N84.8Confident83.5Confident76 Ų7675.2 Ų75.241%0.40640%0.404SS..  trans-72.2160.2167.661.948.4000110T383 E384 L385N381-T383 PolarHBondContact O-N 2.94Å; N381-T383 PolarHBondContact OD1-N 3.43Å; N381-E384 VanDerWaalsContact ND2-CD 3.3Å; N381-E384 PolarHBondContact ND2-OE1 3.34Å; N381-E384 PolarHBondContact O-N 2.79Å; N381-E384 VanDerWaalsContact OD1-CB 3.29Å; N381-E384 WeakPolarHBondContact OD1-CB 3.46Å; N381-E384 VanDerWaalsContact OD1-CG 3.23Å; N381-E384 WeakPolarHBondContact OD1-CG 3.4Å; N381-E384 PolarHBondContact OD1-N 2.89Å; N381-L385 PolarHBondContact O-N 2.94Å; N381-L385 VanDerWaalsContact O-N 3.07Å
382D85.4Confident83.7Confident110 Ų11072.8 Ų72.859%0.58839%0.391SS*.Hα-helixtrans-60.5-32.6-176.1-67-29.3000112.4L385 E386D382-L385 PolarHBondContact O-N 3.21Å; D382-E386 WeakPolarHBondContact O-CB 3.23Å; D382-E386 PolarHBondContact O-N 3.26Å
383T90.3Very high84Confident114 Ų11470.2 Ų70.270%0.69938%0.382SS*.Hα-helixtrans-67.2-44.9179-45.10000112.6N381 E386 S387N381-T383 PolarHBondContact O-N 2.94Å; N381-T383 PolarHBondContact OD1-N 3.43Å; T383-E386 PolarHBondContact O-N 2.77Å; T383-S387 PolarHBondContact O-N 2.9Å
384E90Very high84.3Confident98 Ų9871.9 Ų71.946%0.45839%0.392SS..Hα-helixtrans-66.1-40.5176.3-76.4167.6-155.700111M380 N381 S387 I388M380-E384 HydrophobicContact CB-CB 4.48Å; M380-E384 HydrophobicContact CE-CB 3.95Å; N381-E384 VanDerWaalsContact ND2-CD 3.3Å; N381-E384 PolarHBondContact ND2-OE1 3.34Å; N381-E384 PolarHBondContact O-N 2.79Å; N381-E384 VanDerWaalsContact OD1-CB 3.29Å; N381-E384 WeakPolarHBondContact OD1-CB 3.46Å; N381-E384 VanDerWaalsContact OD1-CG 3.23Å; N381-E384 WeakPolarHBondContact OD1-CG 3.4Å; N381-E384 PolarHBondContact OD1-N 2.89Å; E384-S387 PolarHBondContact O-N 3.39Å; E384-I388 WeakPolarHBondContact O-CG1 3.44Å; E384-I388 PolarHBondContact O-N 3.36Å
385L89.7Confident84.9Confident7 Ų767.8 Ų67.84%0.03738%0.376CS..Hα-helixtrans-62-45.7176.4-179.959.3000111.1R372 L373 N381 D382 S387 I388 I389 A427R372-L385 HydrophobicContact CB-CD1 4.1Å; L373-L385 HydrophobicContact CD2-CD1 4.5Å; L373-L385 HydrophobicContact CD2-CD2 4.3Å; N381-L385 PolarHBondContact O-N 2.94Å; N381-L385 VanDerWaalsContact O-N 3.07Å; D382-L385 PolarHBondContact O-N 3.21Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-S387 PolarHBondContact O-N 2.73Å; L385-I388 PolarHBondContact O-N 2.83Å; L385-I389 HydrophobicContact CD1-CD1 4.28Å; L385-I389 HydrophobicContact CG-CD1 4.01Å; L385-I389 VanDerWaalsContact O-CG1 3.31Å; L385-I389 WeakPolarHBondContact O-CG1 3.26Å; L385-I389 PolarHBondContact O-N 2.88Å; L385-A427 HydrophobicContact CD2-CB 3.72Å
386E91.9Very high86.3Confident61 Ų6158.7 Ų58.729%0.28534%0.342SS..Hα-helixtrans-61.3-42.8176.9-172.365.8-168.600111.4D382 T383 I388 I389 D390 S430 K434D382-E386 WeakPolarHBondContact O-CB 3.23Å; D382-E386 PolarHBondContact O-N 3.26Å; T383-E386 PolarHBondContact O-N 2.77Å; E386-I388 VanDerWaalsContact C-N 3.33Å; E386-I388 PolarHBondContact O-N 3.48Å; E386-I389 WeakPolarHBondContact O-CB 3.42Å; E386-I389 PolarHBondContact O-N 3.3Å; E386-D390 PolarHBondContact O-N 2.89Å; E386-S430 VanDerWaalsContact CD-OG 3.26Å; E386-S430 PolarHBondContact OE1-OG 2.59Å; E386-S430 WeakPolarHBondContact OE2-CB 3.44Å; E386-S430 PolarHBondContact OE2-OG 2.78Å; E386-K434 WeakPolarHBondContact OE1-CE 3.4Å; E386-K434 IonicContact OE1-NZ 2.66Å; E386-K434 PolarHBondContact OE1-NZ 2.95Å
387S93.6Very high87.9Confident55 Ų5560.5 Ų60.539%0.38532%0.324SS..Hα-helixtrans-60.2-41.6175.4-174.70000112.5T383 E384 L385 D390 K391T383-S387 PolarHBondContact O-N 2.9Å; E384-S387 PolarHBondContact O-N 3.39Å; L385-S387 VanDerWaalsContact C-N 3.35Å; L385-S387 PolarHBondContact O-N 2.73Å; S387-D390 PolarHBondContact O-N 3.43Å; S387-K391 WeakPolarHBondContact O-CG 3.39Å; S387-K391 PolarHBondContact O-N 3.38Å
388I92.7Very high89.4Confident30 Ų3060.4 Ų60.415%0.15432%0.32CS..Hα-helixtrans-66.9-39.8176.7-71.2174.3000111.2F368 R372 M380 E384 L385 E386 D390 K391 A392F368-I388 HydrophobicContact CE1-CG2 3.71Å; F368-I388 HydrophobicContact CZ-CG2 3.89Å; R372-I388 HydrophobicContact CG-CG2 4.14Å; M380-I388 HydrophobicContact CE-CD1 3.19Å; M380-I388 HydrophobicContact CE-CG1 4.48Å; M380-I388 HydrophobicContact SD-CD1 3.75Å; E384-I388 WeakPolarHBondContact O-CG1 3.44Å; E384-I388 PolarHBondContact O-N 3.36Å; L385-I388 PolarHBondContact O-N 2.83Å; E386-I388 VanDerWaalsContact C-N 3.33Å; E386-I388 PolarHBondContact O-N 3.48Å; I388-D390 VanDerWaalsContact C-N 3.32Å; I388-K391 PolarHBondContact O-N 3.48Å; I388-A392 WeakPolarHBondContact O-CB 3.34Å; I388-A392 PolarHBondContact O-N 3.11Å
389I93.2Very high90.9Very high6 Ų651.2 Ų51.23%0.03128%0.28CS..Hα-helixtrans-60.8-44.6174.9-70.5164.3000109.9L373 L385 E386 K391 A392 M393 V431 K434L373-I389 HydrophobicContact CD2-CD1 4.42Å; L385-I389 HydrophobicContact CD1-CD1 4.28Å; L385-I389 HydrophobicContact CG-CD1 4.01Å; L385-I389 VanDerWaalsContact O-CG1 3.31Å; L385-I389 WeakPolarHBondContact O-CG1 3.26Å; L385-I389 PolarHBondContact O-N 2.88Å; E386-I389 WeakPolarHBondContact O-CB 3.42Å; E386-I389 PolarHBondContact O-N 3.3Å; I389-K391 PolarHBondContact O-N 3.46Å; I389-A392 PolarHBondContact O-N 3.12Å; I389-M393 HydrophobicContact CG2-CG 4.33Å; I389-M393 WeakPolarHBondContact O-CB 3.23Å; I389-M393 VanDerWaalsContact O-CG 3.29Å; I389-M393 WeakPolarHBondContact O-CG 3.47Å; I389-M393 PolarHBondContact O-N 3.29Å; I389-V431 HydrophobicContact CD1-CG2 3.75Å; I389-V431 HydrophobicContact CG1-CG2 4.04Å; I389-V431 HydrophobicContact CG2-CG2 3.82Å; I389-K434 HydrophobicContact CG2-CD 3.74Å
390D95.9Very high92.1Very high73 Ų7350.7 Ų50.739%0.3926%0.259SS..Hα-helixtrans-59.7-44177.1-79.3-31.8000112.4E386 S387 I388 M393 V394 K434E386-D390 PolarHBondContact O-N 2.89Å; S387-D390 PolarHBondContact O-N 3.43Å; I388-D390 VanDerWaalsContact C-N 3.32Å; D390-M393 PolarHBondContact O-N 3.45Å; D390-V394 PolarHBondContact O-N 3.46Å; D390-K434 VanDerWaalsContact OD1-CE 3.31Å; D390-K434 WeakPolarHBondContact OD1-CE 3.44Å; D390-K434 IonicContact OD1-NZ 2.66Å; D390-K434 PolarHBondContact OD1-NZ 3.3Å; D390-K434 IonicContact OD2-NZ 2.99Å
391K96.1Very high92.8Very high68 Ų6849.1 Ų49.130%0.29625%0.252SS..Hα-helixtrans-63.9-41.4175.6-68.1-179.1-176.2-162.60112.2I323 D327 S387 I388 I389 M393 V394 L395I323-K391 HydrophobicContact CD1-CB 4.31Å; I323-K391 HydrophobicContact CG1-CB 4.43Å; I323-K391 HydrophobicContact CG2-CB 3.92Å; I323-K391 HydrophobicContact CG2-CD 3.61Å; I323-K391 HydrophobicContact CG2-CG 4.31Å; D327-K391 WeakPolarHBondContact OD1-CE 3.49Å; D327-K391 IonicContact OD1-NZ 2.69Å; D327-K391 PolarHBondContact OD1-NZ 2.78Å; D327-K391 IonicContact OD2-NZ 3.61Å; D327-K391 PolarHBondContact OD2-NZ 3.43Å; S387-K391 WeakPolarHBondContact O-CG 3.39Å; S387-K391 PolarHBondContact O-N 3.38Å; I388-K391 PolarHBondContact O-N 3.48Å; I389-K391 PolarHBondContact O-N 3.46Å; K391-M393 VanDerWaalsContact C-N 3.29Å; K391-M393 PolarHBondContact O-N 3.46Å; K391-V394 WeakPolarHBondContact O-CB 3.45Å; K391-V394 PolarHBondContact O-N 3.42Å; K391-L395 PolarHBondContact O-N 3.15Å
392A96.1Very high93.2Very high1 Ų146.6 Ų46.61%0.00824%0.237CC..Hα-helixtrans-63.3-36.8174.200000111.9L365 F368 I369 I388 I389 V394 L395 F396L365-A392 HydrophobicContact CD1-CB 4.09Å; F368-A392 HydrophobicContact CD1-CB 4.37Å; F368-A392 HydrophobicContact CE1-CB 4.31Å; I369-A392 HydrophobicContact CD1-CB 4.28Å; I369-A392 HydrophobicContact CG1-CB 4.06Å; I388-A392 WeakPolarHBondContact O-CB 3.34Å; I388-A392 PolarHBondContact O-N 3.11Å; I389-A392 PolarHBondContact O-N 3.12Å; A392-V394 VanDerWaalsContact C-N 3.34Å; A392-V394 PolarHBondContact O-N 3.46Å; A392-L395 PolarHBondContact O-N 3.27Å; A392-F396 PolarHBondContact O-N 3.34Å
393M95.7Very high93.5Very high5 Ų542 Ų423%0.02521%0.213CC..Hα-helixtrans-68.4-30.5176.6-72.8-56.1-54.500113I389 D390 K391 L395 F396 R397 K434 L435 E438I389-M393 HydrophobicContact CG2-CG 4.33Å; I389-M393 WeakPolarHBondContact O-CB 3.23Å; I389-M393 VanDerWaalsContact O-CG 3.29Å; I389-M393 WeakPolarHBondContact O-CG 3.47Å; I389-M393 PolarHBondContact O-N 3.29Å; D390-M393 PolarHBondContact O-N 3.45Å; K391-M393 VanDerWaalsContact C-N 3.29Å; K391-M393 PolarHBondContact O-N 3.46Å; M393-L395 VanDerWaalsContact C-N 3.35Å; M393-F396 HydrophobicContact CE-CB 4.26Å; M393-F396 HydrophobicContact CE-CD1 3.51Å; M393-F396 HydrophobicContact CE-CE1 4.14Å; M393-F396 HydrophobicContact CE-CG 4.08Å; M393-F396 WeakPolarHBondContact O-CB 3.47Å; M393-F396 PolarHBondContact O-N 3.27Å; M393-F396 HydrophobicContact SD-CB 4.31Å; M393-F396 HydrophobicContact SD-CD1 4.44Å; M393-F396 HydrophobicContact SD-CG 4.45Å; M393-R397 PolarHBondContact O-N 3.39Å; M393-R397 VanDerWaalsContact O-N 3.09Å; M393-K434 HydrophobicContact CE-CB 4.08Å; M393-K434 HydrophobicContact CG-CB 4.02Å; M393-K434 HydrophobicContact CG-CD 3.94Å; M393-K434 HydrophobicContact SD-CB 4.23Å; M393-L435 HydrophobicContact CE-CD2 4.04Å; M393-L435 HydrophobicContact SD-CD2 4.11Å; M393-L435 HydrophobicContact SD-CG 4.47Å; M393-E438 HydrophobicContact CE-CB 4.49Å; M393-E438 HydrophobicContact CE-CG 3.74Å
394V95.6Very high93.6Very high37 Ų3737.7 Ų37.722%0.22419%0.185CC..Hα-helixtrans-60.2-46.3169.6173.70000110.5D390 K391 A392 R397D390-V394 PolarHBondContact O-N 3.46Å; K391-V394 WeakPolarHBondContact O-CB 3.45Å; K391-V394 PolarHBondContact O-N 3.42Å; A392-V394 VanDerWaalsContact C-N 3.34Å; A392-V394 PolarHBondContact O-N 3.46Å; V394-R397 PolarHBondContact O-N 3.09Å
395L96.5Very high93.8Very high1 Ų133 Ų331%0.00516%0.163CC..Hα-helixtrans-65.9-38.7175.6-63.2-177.5000112.1I319 L322 I323 F351 L355 L365 K391 A392 M393 R397 L398 L399I319-L395 HydrophobicContact CG2-CD1 4.12Å; L322-L395 HydrophobicContact CB-CD1 4.12Å; I323-L395 HydrophobicContact CD1-CD1 4.48Å; I323-L395 HydrophobicContact CG1-CD1 3.69Å; I323-L395 HydrophobicContact CG1-CG 4.49Å; F351-L395 HydrophobicContact CD1-CD2 4.09Å; L355-L395 HydrophobicContact CD2-CB 4.39Å; L355-L395 WeakPolarHBondContact CD2-O 3.44Å; L365-L395 HydrophobicContact CD1-CB 4.39Å; L365-L395 HydrophobicContact CD2-CB 4.45Å; K391-L395 PolarHBondContact O-N 3.15Å; A392-L395 PolarHBondContact O-N 3.27Å; M393-L395 VanDerWaalsContact C-N 3.35Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.31Å; L395-L398 WeakPolarHBondContact O-CB 3.2Å; L395-L398 PolarHBondContact O-N 2.59Å; L395-L399 PolarHBondContact O-N 2.66Å
396F96.5Very high94Very high0 Ų033.1 Ų33.10%016%0.163CC..Hα-helixtrans-56.4-40.9176.3174.7-99.6000112.3L365 A392 M393 L398 L399 K402 F405 L435 E438 C439 F443L365-F396 HydrophobicContact CD2-CB 3.75Å; L365-F396 HydrophobicContact CD2-CD2 4.36Å; A392-F396 PolarHBondContact O-N 3.34Å; M393-F396 HydrophobicContact CE-CB 4.26Å; M393-F396 HydrophobicContact CE-CD1 3.51Å; M393-F396 HydrophobicContact CE-CE1 4.14Å; M393-F396 HydrophobicContact CE-CG 4.08Å; M393-F396 WeakPolarHBondContact O-CB 3.47Å; M393-F396 PolarHBondContact O-N 3.27Å; M393-F396 HydrophobicContact SD-CB 4.31Å; M393-F396 HydrophobicContact SD-CD1 4.44Å; M393-F396 HydrophobicContact SD-CG 4.45Å; F396-L398 PolarHBondContact O-N 3.03Å; F396-L399 HydrophobicContact CD2-CD1 4.16Å; F396-L399 WeakPolarHBondContact O-CB 3.42Å; F396-L399 PolarHBondContact O-N 2.9Å; F396-L399 VanDerWaalsContact O-N 3.15Å; F396-K402 HydrophobicContact CE1-CD 4.02Å; F396-K402 HydrophobicContact CE2-CB 4.16Å; F396-K402 HydrophobicContact CE2-CD 4.41Å; F396-K402 HydrophobicContact CE2-CG 4.06Å; F396-K402 HydrophobicContact CZ-CB 4.05Å; F396-K402 HydrophobicContact CZ-CD 3.8Å; F396-K402 HydrophobicContact CZ-CG 3.94Å; F396-K402 WeakPolarHBondContact O-CE 3.5Å; F396-F405 AromaticContact CD2-CD1 3.87Å; F396-F405 HydrophobicContact CD2-CD1 3.87Å; F396-F405 HydrophobicContact CD2-CD2 4.11Å; F396-F405 HydrophobicContact CD2-CE1 4.05Å; F396-F405 HydrophobicContact CD2-CE2 4.27Å; F396-F405 AromaticContact CD2-CG 3.91Å; F396-F405 HydrophobicContact CD2-CG 3.91Å; F396-F405 HydrophobicContact CD2-CZ 4.24Å; F396-F405 HydrophobicContact CE2-CB 4.14Å; F396-F405 AromaticContact CE2-CD1 3.39Å; F396-F405 HydrophobicContact CE2-CD1 3.39Å; F396-F405 HydrophobicContact CE2-CD2 4.36Å; F396-F405 AromaticContact CE2-CE1 3.82Å; F396-F405 HydrophobicContact CE2-CE1 3.82Å; F396-F405 AromaticContact CE2-CG 3.7Å; F396-F405 HydrophobicContact CE2-CG 3.7Å; F396-F405 HydrophobicContact CE2-CZ 4.47Å; F396-F405 HydrophobicContact CZ-CD1 4.39Å; F396-L435 HydrophobicContact CD1-CD2 4.28Å; F396-L435 HydrophobicContact CD2-CD2 4.31Å; F396-L435 HydrophobicContact CE1-CD2 3.9Å; F396-L435 HydrophobicContact CE2-CD2 3.95Å; F396-L435 HydrophobicContact CG-CD2 4.47Å; F396-L435 HydrophobicContact CZ-CD2 3.72Å; F396-E438 HydrophobicContact CD1-CB 4.44Å; F396-E438 HydrophobicContact CE1-CB 4.02Å; F396-C439 VanDerWaalsContact CE1-SG 3.58Å; F396-C439 VanDerWaalsContact CZ-SG 3.54Å; F396-F443 HydrophobicContact CZ-CE1 4.41Å; F396-F443 HydrophobicContact CZ-CZ 4.17Å
397R94.6Very high93.9Very high119 Ų11933.7 Ų33.745%0.44916%0.163SC..Hα-helixtrans-58.7-35176.8-76.3-171.6-118.21153.5112.6M393 V394 L395 L399 K402 E438M393-R397 PolarHBondContact O-N 3.39Å; M393-R397 VanDerWaalsContact O-N 3.09Å; V394-R397 PolarHBondContact O-N 3.09Å; L395-R397 VanDerWaalsContact C-N 3.28Å; L395-R397 PolarHBondContact O-N 3.31Å; R397-L399 VanDerWaalsContact C-N 3.33Å; R397-K402 PolarHBondContact O-NZ 2.89Å; R397-K402 VanDerWaalsContact O-NZ 3.11Å; R397-E438 VanDerWaalsContact CD-CD 3.47Å; R397-E438 VanDerWaalsContact CD-OE1 3.25Å; R397-E438 WeakPolarHBondContact CD-OE1 3.46Å; R397-E438 VanDerWaalsContact CD-OE2 3.24Å; R397-E438 WeakPolarHBondContact CD-OE2 3.4Å; R397-E438 VanDerWaalsContact CG-CD 3.49Å; R397-E438 HydrophobicContact CG-CG 4.29Å; R397-E438 VanDerWaalsContact CG-OE2 3.23Å; R397-E438 WeakPolarHBondContact CG-OE2 3.25Å; R397-E438 IonicContact CZ-OE1 3.49Å; R397-E438 IonicContact NE-OE1 3.62Å; R397-E438 PolarHBondContact NE-OE1 2.74Å; R397-E438 IonicContact NE-OE2 2.66Å
398L94.5Very high93.8Very high33 Ų3331.6 Ų31.617%0.17315%0.146CC..Hα-helixtrans-81-9.2-178-55.3178.3000113.5F351 A352 L355 N356 L395 F396F351-L398 HydrophobicContact CB-CD1 3.51Å; F351-L398 HydrophobicContact CG-CD1 4.43Å; A352-L398 HydrophobicContact CB-CB 4.2Å; A352-L398 HydrophobicContact CB-CD2 4.37Å; L355-L398 HydrophobicContact CD2-CB 4Å; N356-L398 PolarHBondContact ND2-O 3Å; L395-L398 WeakPolarHBondContact O-CB 3.2Å; L395-L398 PolarHBondContact O-N 2.59Å; F396-L398 PolarHBondContact O-N 3.03Å
399L94.5Very high93.8Very high3 Ų330.1 Ų30.12%0.01614%0.139CC..  trans-70.2136172.8-68.5175.9000111.5L355 A361 P362 L365 L395 F396 R397 K402 F405L355-L399 HydrophobicContact CD1-CD2 4.3Å; L355-L399 HydrophobicContact CD2-CD2 3.6Å; L355-L399 HydrophobicContact CD2-CG 4Å; L355-L399 HydrophobicContact CG-CD2 3.72Å; A361-L399 HydrophobicContact CB-CD2 4.14Å; P362-L399 HydrophobicContact CB-CD1 4.26Å; P362-L399 HydrophobicContact CG-CD1 4.44Å; P362-L399 HydrophobicContact CG-CD2 4.18Å; L365-L399 HydrophobicContact CD2-CD1 3.64Å; L365-L399 HydrophobicContact CD2-CG 4.42Å; L395-L399 PolarHBondContact O-N 2.66Å; F396-L399 HydrophobicContact CD2-CD1 4.16Å; F396-L399 WeakPolarHBondContact O-CB 3.42Å; F396-L399 PolarHBondContact O-N 2.9Å; F396-L399 VanDerWaalsContact O-N 3.15Å; R397-L399 VanDerWaalsContact C-N 3.33Å; L399-K402 HydrophobicContact CB-CG 4.39Å; L399-K402 PolarHBondContact O-NZ 3.28Å; L399-F405 HydrophobicContact CD1-CB 4.44Å; L399-F405 HydrophobicContact CD1-CD2 4.42Å
400Q90.6Very high93.7Very high101 Ų10130.5 Ų30.547%0.47214%0.14SC..SBendtrans-77.5-45171.9-71.3178.7-0.900111.6N356 K402 F707N356-Q400 HydrophobicContact CB-CG 4.39Å; N356-Q400 PolarHBondContact OD1-N 2.98Å; Q400-K402 PolarHBondContact O-N 3.33Å; Q400-F707 WeakPolarHBondContact O-CA 3.47Å
401D91Very high93.4Very high34 Ų3429.4 Ų29.418%0.18213%0.133CC..  trans-100.673-173.1-67.3-43.1000112.3P362 D403 I404 F405 R672P362-D401 HydrophobicContact CG-CB 4.3Å; D401-D403 VanDerWaalsContact C-N 3.32Å; D401-D403 PolarHBondContact O-N 3.21Å; D401-I404 HydrophobicContact CB-CB 4.29Å; D401-I404 HydrophobicContact CB-CD1 3.6Å; D401-I404 HydrophobicContact CB-CG1 3.89Å; D401-I404 PolarHBondContact O-N 3.45Å; D401-F405 PolarHBondContact O-N 3.04Å; D401-R672 IonicContact OD1-CZ 3.15Å; D401-R672 IonicContact OD1-NH1 4Å; D401-R672 IonicContact OD1-NH2 2.65Å; D401-R672 PolarHBondContact OD1-NH2 3.09Å; D401-R672 IonicContact OD2-NH2 2.9Å
402K93.7Very high93.1Very high23 Ų2326.8 Ų26.810%0.112%0.122CC..Hα-helixtrans-72.9-23.3-177.7-62.8178.4171.672.60113F396 R397 L399 Q400 F405 E406 F443 G705 R706F396-K402 HydrophobicContact CE1-CD 4.02Å; F396-K402 HydrophobicContact CE2-CB 4.16Å; F396-K402 HydrophobicContact CE2-CD 4.41Å; F396-K402 HydrophobicContact CE2-CG 4.06Å; F396-K402 HydrophobicContact CZ-CB 4.05Å; F396-K402 HydrophobicContact CZ-CD 3.8Å; F396-K402 HydrophobicContact CZ-CG 3.94Å; F396-K402 WeakPolarHBondContact O-CE 3.5Å; R397-K402 PolarHBondContact O-NZ 2.89Å; R397-K402 VanDerWaalsContact O-NZ 3.11Å; L399-K402 HydrophobicContact CB-CG 4.39Å; L399-K402 PolarHBondContact O-NZ 3.28Å; Q400-K402 PolarHBondContact O-N 3.33Å; K402-F405 WeakPolarHBondContact O-CB 3.45Å; K402-F405 PolarHBondContact O-N 2.9Å; K402-E406 PolarHBondContact O-N 3.49Å; K402-F443 HydrophobicContact CB-CE2 4.34Å; K402-F443 WeakPolarHBondContact O-CZ 3.38Å; K402-G705 WeakPolarHBondContact CD-O 3.2Å; K402-R706 WeakPolarHBondContact CA-O 3.46Å; K402-R706 WeakPolarHBondContact CB-O 3.46Å; K402-R706 PolarHBondContact N-O 2.81Å
403D91.4Very high92.8Very high14 Ų1426.8 Ų26.88%0.07512%0.121CC..Hα-helixtrans-66.8-35.6172.663.7-28.4000112.8D401 E406 R407 R672 R706D401-D403 VanDerWaalsContact C-N 3.32Å; D401-D403 PolarHBondContact O-N 3.21Å; D403-E406 WeakPolarHBondContact O-CB 3.41Å; D403-E406 PolarHBondContact O-N 3.11Å; D403-R407 PolarHBondContact O-N 3.39Å; D403-R407 VanDerWaalsContact O-N 3.08Å; D403-R672 IonicContact OD1-CZ 3.05Å; D403-R672 IonicContact OD1-NE 3.91Å; D403-R672 IonicContact OD1-NH2 3.78Å; D403-R672 PolarHBondContact OD1-NH2 3.21Å; D403-R672 IonicContact OD2-CZ 2.69Å; D403-R672 IonicContact OD2-NE 3.81Å; D403-R672 PolarHBondContact OD2-NE 3.2Å; D403-R672 IonicContact OD2-NH2 3.7Å; D403-R672 PolarHBondContact OD2-NH2 3.25Å; D403-R706 PolarHBondContact N-O 3.25Å
404I92.5Very high92.5Very high23 Ų2326.7 Ų26.712%0.11812%0.122CC..Hα-helixtrans-62.9-47.8170.8-58.4-179.3000109.2P362 D401 E406 R407 Y408 I668P362-I404 HydrophobicContact CB-CB 4.01Å; P362-I404 HydrophobicContact CB-CG2 3.92Å; P362-I404 HydrophobicContact CG-CB 4.24Å; P362-I404 HydrophobicContact CG-CG2 4.3Å; D401-I404 HydrophobicContact CB-CB 4.29Å; D401-I404 HydrophobicContact CB-CD1 3.6Å; D401-I404 HydrophobicContact CB-CG1 3.89Å; D401-I404 PolarHBondContact O-N 3.45Å; I404-E406 VanDerWaalsContact C-N 3.33Å; I404-E406 PolarHBondContact O-N 3.16Å; I404-R407 PolarHBondContact O-N 2.99Å; I404-Y408 HydrophobicContact CG2-CD2 3.81Å; I404-Y408 HydrophobicContact CG2-CE2 3.65Å; I404-Y408 VanDerWaalsContact O-CD2 3.31Å; I404-Y408 WeakPolarHBondContact O-CD2 3.23Å; I404-Y408 PolarHBondContact O-N 2.88Å; I404-Y408 VanDerWaalsContact O-N 3.17Å; I404-I668 HydrophobicContact CB-CD1 4.5Å; I404-I668 HydrophobicContact CG1-CD1 4.09Å; I404-I668 HydrophobicContact CG1-CG2 4.25Å; I404-I668 HydrophobicContact CG2-CD1 4.48Å
405F94.6Very high92Very high0 Ų030.2 Ų30.20%013%0.134CC..Hα-helixtrans-55.2-48.3173.5175-85.4000111.2P362 L365 I369 F396 L399 D401 K402 R407 Y408 Y409 L435P362-F405 HydrophobicContact CB-CB 3.92Å; P362-F405 WeakPolarHBondContact O-CD2 3.42Å; L365-F405 HydrophobicContact CB-CD2 4.26Å; L365-F405 HydrophobicContact CB-CE2 4.22Å; L365-F405 HydrophobicContact CD2-CD2 4.31Å; L365-F405 HydrophobicContact CD2-CE2 4.17Å; L365-F405 HydrophobicContact CG-CD2 4.37Å; L365-F405 HydrophobicContact CG-CE2 3.98Å; I369-F405 HydrophobicContact CD1-CE2 3.97Å; I369-F405 HydrophobicContact CD1-CZ 3.82Å; F396-F405 AromaticContact CD2-CD1 3.87Å; F396-F405 HydrophobicContact CD2-CD1 3.87Å; F396-F405 HydrophobicContact CD2-CD2 4.11Å; F396-F405 HydrophobicContact CD2-CE1 4.05Å; F396-F405 HydrophobicContact CD2-CE2 4.27Å; F396-F405 AromaticContact CD2-CG 3.91Å; F396-F405 HydrophobicContact CD2-CG 3.91Å; F396-F405 HydrophobicContact CD2-CZ 4.24Å; F396-F405 HydrophobicContact CE2-CB 4.14Å; F396-F405 AromaticContact CE2-CD1 3.39Å; F396-F405 HydrophobicContact CE2-CD1 3.39Å; F396-F405 HydrophobicContact CE2-CD2 4.36Å; F396-F405 AromaticContact CE2-CE1 3.82Å; F396-F405 HydrophobicContact CE2-CE1 3.82Å; F396-F405 AromaticContact CE2-CG 3.7Å; F396-F405 HydrophobicContact CE2-CG 3.7Å; F396-F405 HydrophobicContact CE2-CZ 4.47Å; F396-F405 HydrophobicContact CZ-CD1 4.39Å; L399-F405 HydrophobicContact CD1-CB 4.44Å; L399-F405 HydrophobicContact CD1-CD2 4.42Å; D401-F405 PolarHBondContact O-N 3.04Å; K402-F405 WeakPolarHBondContact O-CB 3.45Å; K402-F405 PolarHBondContact O-N 2.9Å; F405-R407 PolarHBondContact O-N 3.31Å; F405-Y408 PolarHBondContact O-N 3.31Å; F405-Y409 AromaticContact CE1-CD2 3.97Å; F405-Y409 HydrophobicContact CE1-CD2 3.97Å; F405-Y409 AromaticContact CE1-CG 3.92Å; F405-Y409 HydrophobicContact CE1-CG 3.92Å; F405-Y409 HydrophobicContact CE2-CD2 4.5Å; F405-Y409 AromaticContact CZ-CD2 3.65Å; F405-Y409 HydrophobicContact CZ-CD2 3.65Å; F405-Y409 HydrophobicContact CZ-CE2 4.42Å; F405-Y409 HydrophobicContact CZ-CG 4.09Å; F405-Y409 VanDerWaalsContact O-CB 3.22Å; F405-Y409 WeakPolarHBondContact O-CB 3.45Å; F405-Y409 PolarHBondContact O-N 3.21Å; F405-L435 HydrophobicContact CD1-CD2 4.48Å; F405-L435 HydrophobicContact CE1-CD1 4.2Å; F405-L435 HydrophobicContact CE1-CD2 3.71Å; F405-L435 HydrophobicContact CZ-CD2 4.37Å
406E92.5Very high91.6Very high8 Ų830.3 Ų30.34%0.03714%0.135CC..Hα-helixtrans-52.6-44.7179.2-162.1-158.1133.700111.4K402 D403 I404 K410 F443 R706K402-E406 PolarHBondContact O-N 3.49Å; D403-E406 WeakPolarHBondContact O-CB 3.41Å; D403-E406 PolarHBondContact O-N 3.11Å; I404-E406 VanDerWaalsContact C-N 3.33Å; I404-E406 PolarHBondContact O-N 3.16Å; E406-K410 WeakPolarHBondContact O-CB 3.39Å; E406-K410 WeakPolarHBondContact O-CE 3.33Å; E406-K410 WeakPolarHBondContact O-CG 3.25Å; E406-K410 PolarHBondContact O-N 3.37Å; E406-K410 WeakPolarHBondContact OE1-CE 3.39Å; E406-K410 IonicContact OE1-NZ 3.71Å; E406-K410 PolarHBondContact OE1-NZ 3.24Å; E406-F443 HydrophobicContact CB-CE1 4.22Å; E406-F443 HydrophobicContact CB-CE2 3.67Å; E406-F443 HydrophobicContact CB-CZ 3.48Å; E406-F443 VanDerWaalsContact CB-CZ 3.48Å; E406-F443 HydrophobicContact CG-CD1 4.39Å; E406-F443 HydrophobicContact CG-CD2 4.25Å; E406-F443 HydrophobicContact CG-CE1 3.96Å; E406-F443 HydrophobicContact CG-CE2 3.81Å; E406-F443 HydrophobicContact CG-CZ 3.66Å; E406-R706 IonicContact OE2-NH2 2.73Å; E406-R706 PolarHBondContact OE2-NH2 3.41Å
407R89.6Confident91.1Very high73 Ų7331.1 Ų31.128%0.27514%0.139SC..Hα-helixtrans-64.4-51.6-178.2-17766.1178.3175.53.3111.6D403 I404 F405 K410 Q411 M664 I668D403-R407 PolarHBondContact O-N 3.39Å; D403-R407 VanDerWaalsContact O-N 3.08Å; I404-R407 PolarHBondContact O-N 2.99Å; F405-R407 PolarHBondContact O-N 3.31Å; R407-K410 PolarHBondContact O-N 3.04Å; R407-Q411 PolarHBondContact O-N 3.25Å; R407-Q411 VanDerWaalsContact O-N 3.15Å; R407-M664 HydrophobicContact CG-CG 4.03Å; R407-M664 HydrophobicContact CG-SD 3.79Å; R407-I668 HydrophobicContact CB-CD1 4.33Å; R407-I668 HydrophobicContact CG-CD1 4.34Å
408Y91.6Very high90.6Very high11 Ų1128.3 Ų28.34%0.04313%0.132CC..Hα-helixtrans-64.6-44.5177.3-75.6-77.1000110.9E363 I404 F405 K410 Q411 H412 M664E363-Y408 HydrophobicContact CB-CD1 4.15Å; E363-Y408 HydrophobicContact CB-CD2 3.73Å; E363-Y408 HydrophobicContact CB-CE1 4.14Å; E363-Y408 HydrophobicContact CB-CE2 3.76Å; E363-Y408 HydrophobicContact CB-CG 3.94Å; E363-Y408 HydrophobicContact CG-CD1 3.62Å; E363-Y408 HydrophobicContact CG-CD2 4.15Å; E363-Y408 HydrophobicContact CG-CE1 3.62Å; E363-Y408 HydrophobicContact CG-CE2 4.19Å; E363-Y408 HydrophobicContact CG-CG 3.88Å; E363-Y408 PolarHBondContact OE2-OH 3.43Å; I404-Y408 HydrophobicContact CG2-CD2 3.81Å; I404-Y408 HydrophobicContact CG2-CE2 3.65Å; I404-Y408 VanDerWaalsContact O-CD2 3.31Å; I404-Y408 WeakPolarHBondContact O-CD2 3.23Å; I404-Y408 PolarHBondContact O-N 2.88Å; I404-Y408 VanDerWaalsContact O-N 3.17Å; F405-Y408 PolarHBondContact O-N 3.31Å; Y408-K410 VanDerWaalsContact C-N 3.33Å; Y408-K410 PolarHBondContact O-N 3.45Å; Y408-Q411 WeakPolarHBondContact O-CA 3.39Å; Y408-Q411 WeakPolarHBondContact O-CB 3.29Å; Y408-Q411 PolarHBondContact O-N 2.86Å; Y408-H412 PolarHBondContact O-CD2 2.92Å; Y408-H412 PolarHBondContact O-N 3.04Å; Y408-M664 HydrophobicContact CD1-SD 4.33Å; Y408-M664 HydrophobicContact CD2-SD 4.48Å; Y408-M664 HydrophobicContact CE1-CE 3.94Å; Y408-M664 HydrophobicContact CE1-SD 3.83Å; Y408-M664 HydrophobicContact CE2-SD 3.96Å
409Y93.6Very high89.8Confident0 Ų030.9 Ų30.90%015%0.147CC..Hα-helixtrans-57.4-45.8179.1-170.1-93.9000111.8S366 I369 F405 Q411 H412 L413 V431 L435 I447S366-Y409 VanDerWaalsContact OG-CA 3.26Å; S366-Y409 WeakPolarHBondContact OG-CA 3.36Å; S366-Y409 PolarHBondContact OG-N 3.42Å; I369-Y409 HydrophobicContact CG2-CE2 3.87Å; F405-Y409 AromaticContact CE1-CD2 3.97Å; F405-Y409 HydrophobicContact CE1-CD2 3.97Å; F405-Y409 AromaticContact CE1-CG 3.92Å; F405-Y409 HydrophobicContact CE1-CG 3.92Å; F405-Y409 HydrophobicContact CE2-CD2 4.5Å; F405-Y409 AromaticContact CZ-CD2 3.65Å; F405-Y409 HydrophobicContact CZ-CD2 3.65Å; F405-Y409 HydrophobicContact CZ-CE2 4.42Å; F405-Y409 HydrophobicContact CZ-CG 4.09Å; F405-Y409 VanDerWaalsContact O-CB 3.22Å; F405-Y409 WeakPolarHBondContact O-CB 3.45Å; F405-Y409 PolarHBondContact O-N 3.21Å; Y409-Q411 VanDerWaalsContact C-N 3.33Å; Y409-Q411 PolarHBondContact O-N 3.44Å; Y409-H412 PolarHBondContact O-N 3.2Å; Y409-L413 HydrophobicContact CE1-CB 4.38Å; Y409-L413 HydrophobicContact CE1-CD2 4.26Å; Y409-L413 VanDerWaalsContact O-CB 3.24Å; Y409-L413 WeakPolarHBondContact O-CB 3.36Å; Y409-L413 PolarHBondContact O-N 3.43Å; Y409-V431 HydrophobicContact CE2-CG1 4.05Å; Y409-V431 VanDerWaalsContact OH-CG1 3.25Å; Y409-V431 WeakPolarHBondContact OH-CG1 3.42Å; Y409-L435 HydrophobicContact CD1-CD1 4.26Å; Y409-L435 HydrophobicContact CE1-CD1 4.11Å; Y409-I447 HydrophobicContact CD1-CD1 3.98Å; Y409-I447 HydrophobicContact CE1-CD1 4.44Å
410K91.3Very high88.8Confident13 Ų1335.1 Ų35.16%0.05718%0.176CC..Hα-helixtrans-59-41.6173.8-78.7178.7-59.9-163.50112.8E406 R407 Y408 G414 K446 I447 M450E406-K410 WeakPolarHBondContact O-CB 3.39Å; E406-K410 WeakPolarHBondContact O-CE 3.33Å; E406-K410 WeakPolarHBondContact O-CG 3.25Å; E406-K410 PolarHBondContact O-N 3.37Å; E406-K410 WeakPolarHBondContact OE1-CE 3.39Å; E406-K410 IonicContact OE1-NZ 3.71Å; E406-K410 PolarHBondContact OE1-NZ 3.24Å; R407-K410 PolarHBondContact O-N 3.04Å; Y408-K410 VanDerWaalsContact C-N 3.33Å; Y408-K410 PolarHBondContact O-N 3.45Å; K410-G414 PolarHBondContact O-N 3.11Å; K410-K446 HydrophobicContact CD-CB 4.27Å; K410-I447 HydrophobicContact CD-CG1 4.19Å; K410-I447 HydrophobicContact CG-CD1 4.19Å; K410-I447 HydrophobicContact CG-CG1 3.58Å; K410-M450 HydrophobicContact CB-SD 4.49Å; K410-M450 HydrophobicContact CG-SD 4.29Å
411Q88.3Confident87.7Confident50 Ų5035.8 Ų35.823%0.23417%0.174CC..Hα-helixtrans-63.2-42177.2174.3169.7-31.300112.1R407 Y408 Y409 K415R407-Q411 PolarHBondContact O-N 3.25Å; R407-Q411 VanDerWaalsContact O-N 3.15Å; Y408-Q411 WeakPolarHBondContact O-CA 3.39Å; Y408-Q411 WeakPolarHBondContact O-CB 3.29Å; Y408-Q411 PolarHBondContact O-N 2.86Å; Y409-Q411 VanDerWaalsContact C-N 3.33Å; Y409-Q411 PolarHBondContact O-N 3.44Å; Q411-K415 WeakPolarHBondContact O-CG 3.26Å; Q411-K415 PolarHBondContact O-N 2.86Å
412H89.7Confident86.5Confident14 Ų1435.3 Ų35.37%0.06517%0.173CC..Hα-helixtrans-72.8-46.2-178.9-71-124.2000110.8L367 D370 Y408 Y409 G414 K415 R416L367-H412 WeakPolarHBondContact CD2-CE1 3.37Å; D370-H412 HydrophobicContact CB-CB 3.96Å; D370-H412 IonicContact OD2-CE1 2.84Å; D370-H412 IonicContact OD2-CG 3.58Å; D370-H412 IonicContact OD2-ND1 3.82Å; D370-H412 PolarHBondContact OD2-ND1 3.06Å; Y408-H412 PolarHBondContact O-CD2 2.92Å; Y408-H412 PolarHBondContact O-N 3.04Å; Y409-H412 PolarHBondContact O-N 3.2Å; H412-G414 VanDerWaalsContact C-N 3.34Å; H412-G414 PolarHBondContact O-N 3.35Å; H412-K415 PolarHBondContact O-N 3.23Å; H412-R416 PolarHBondContact O-N 2.95Å
413L90.9Very high85.3Confident0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-57.6-46.3174.117765000111.5Y409 K415 R416 L417 E428 I447 M450 F451Y409-L413 HydrophobicContact CE1-CB 4.38Å; Y409-L413 HydrophobicContact CE1-CD2 4.26Å; Y409-L413 VanDerWaalsContact O-CB 3.24Å; Y409-L413 WeakPolarHBondContact O-CB 3.36Å; Y409-L413 PolarHBondContact O-N 3.43Å; L413-K415 VanDerWaalsContact C-N 3.27Å; L413-K415 PolarHBondContact O-N 2.88Å; L413-R416 PolarHBondContact O-N 3.24Å; L413-L417 HydrophobicContact CD1-CD1 3.95Å; L413-L417 HydrophobicContact CD1-CD2 4.32Å; L413-L417 HydrophobicContact CD1-CG 3.83Å; L413-L417 HydrophobicContact CD2-CD1 4.3Å; L413-L417 HydrophobicContact CG-CD1 3.82Å; L413-L417 HydrophobicContact CG-CG 4.12Å; L413-L417 WeakPolarHBondContact O-CB 3.21Å; L413-L417 WeakPolarHBondContact O-CG 3.44Å; L413-L417 PolarHBondContact O-N 3.34Å; L413-E428 WeakPolarHBondContact CD1-OE2 3.35Å; L413-I447 HydrophobicContact CD2-CB 4.5Å; L413-I447 HydrophobicContact CD2-CG2 3.51Å; L413-M450 HydrophobicContact CB-CE 4.46Å; L413-M450 HydrophobicContact CD2-CE 4.23Å; L413-M450 HydrophobicContact CD2-SD 4.39Å; L413-M450 HydrophobicContact CG-CE 4.2Å; L413-F451 HydrophobicContact CD1-CE2 3.82Å; L413-F451 HydrophobicContact CD1-CZ 4.12Å; L413-F451 HydrophobicContact CD2-CE2 3.95Å; L413-F451 HydrophobicContact CG-CE2 4.4Å
414G89.2Confident84.6Confident4 Ų438 Ų384%0.04119%0.193CC..Hα-helixtrans-58.5-41.2179.400000112K410 H412 L418 M450K410-G414 PolarHBondContact O-N 3.11Å; H412-G414 VanDerWaalsContact C-N 3.34Å; H412-G414 PolarHBondContact O-N 3.35Å; G414-L418 WeakPolarHBondContact O-CB 3.13Å; G414-L418 VanDerWaalsContact O-CG 3.29Å; G414-L418 WeakPolarHBondContact O-CG 3.29Å; G414-L418 PolarHBondContact O-N 3.37Å; G414-M450 VanDerWaalsContact CA-CE 3.42Å
415K84.8Confident84.1Confident111 Ų11141.1 Ų41.148%0.48321%0.21SC..Hα-helixtrans-65.4-40.1173.2-70.6175.3-175.21770112.2Q411 H412 L413 N419Q411-K415 WeakPolarHBondContact O-CG 3.26Å; Q411-K415 PolarHBondContact O-N 2.86Å; H412-K415 PolarHBondContact O-N 3.23Å; L413-K415 VanDerWaalsContact C-N 3.27Å; L413-K415 PolarHBondContact O-N 2.88Å; K415-N419 VanDerWaalsContact O-CB 3.27Å; K415-N419 WeakPolarHBondContact O-CB 3.5Å; K415-N419 PolarHBondContact O-N 2.85Å; K415-N419 PolarHBondContact O-ND2 3.46Å
416R87.3Confident83.7Confident3 Ų346.4 Ų46.41%0.01124%0.238CC..Hα-helixtrans-66.6-44.8178.6-71.9-164.3-55-85.96112.1D370 R374 H412 L413 S420 R421 T422 E428D370-R416 VanDerWaalsContact CB-NH1 3.25Å; D370-R416 VanDerWaalsContact CG-NH1 3.29Å; D370-R416 VanDerWaalsContact OD1-CD 3.26Å; D370-R416 WeakPolarHBondContact OD1-CD 3.44Å; D370-R416 WeakPolarHBondContact OD1-CG 3.33Å; D370-R416 IonicContact OD1-CZ 3.71Å; D370-R416 IonicContact OD1-NE 3.86Å; D370-R416 IonicContact OD1-NH1 3.34Å; D370-R416 PolarHBondContact OD1-NH1 3.2Å; R374-R416 HydrophobicContact CG-CG 4.22Å; H412-R416 PolarHBondContact O-N 2.95Å; L413-R416 PolarHBondContact O-N 3.24Å; R416-S420 PolarHBondContact O-N 3.2Å; R416-S420 VanDerWaalsContact O-N 3.17Å; R416-R421 PolarHBondContact O-N 3.46Å; R416-T422 HydrophobicContact CB-CG2 4.16Å; R416-E428 IonicContact CZ-OE1 3.26Å; R416-E428 IonicContact CZ-OE2 2.77Å; R416-E428 IonicContact NE-OE1 2.59Å; R416-E428 PolarHBondContact NE-OE1 3Å; R416-E428 IonicContact NE-OE2 3.96Å; R416-E428 IonicContact NH2-OE1 3.97Å; R416-E428 PolarHBondContact NH2-OE1 3.4Å; R416-E428 VanDerWaalsContact NH2-OE1 3.12Å; R416-E428 IonicContact NH2-OE2 3.57Å; R416-E428 PolarHBondContact NH2-OE2 2.85Å
417L87.3Confident83.5Confident16 Ų1646.5 Ų46.58%0.08424%0.24CC..Hα-helixtrans-63.6-51.4179.3-71.5178.9000112L413 N419 S420 T422 M450 F451 V454 W490L413-L417 HydrophobicContact CD1-CD1 3.95Å; L413-L417 HydrophobicContact CD1-CD2 4.32Å; L413-L417 HydrophobicContact CD1-CG 3.83Å; L413-L417 HydrophobicContact CD2-CD1 4.3Å; L413-L417 HydrophobicContact CG-CD1 3.82Å; L413-L417 HydrophobicContact CG-CG 4.12Å; L413-L417 WeakPolarHBondContact O-CB 3.21Å; L413-L417 WeakPolarHBondContact O-CG 3.44Å; L413-L417 PolarHBondContact O-N 3.34Å; L417-N419 VanDerWaalsContact C-N 3.32Å; L417-N419 PolarHBondContact O-N 2.76Å; L417-S420 PolarHBondContact O-N 2.87Å; L417-T422 HydrophobicContact CD2-CG2 4.36Å; L417-M450 HydrophobicContact CD1-CB 4.11Å; L417-M450 HydrophobicContact CD1-CE 4.43Å; L417-F451 HydrophobicContact CD1-CD2 4.28Å; L417-F451 HydrophobicContact CD1-CE2 4.16Å; L417-F451 HydrophobicContact CD1-CZ 4.49Å; L417-F451 HydrophobicContact CD2-CD1 4.42Å; L417-F451 HydrophobicContact CD2-CE1 3.89Å; L417-F451 HydrophobicContact CD2-CE2 4.28Å; L417-F451 HydrophobicContact CD2-CZ 3.79Å; L417-V454 HydrophobicContact CB-CG2 4.09Å; L417-V454 HydrophobicContact CD1-CG2 4.21Å; L417-W490 HydrophobicContact CB-CH2 4.1Å; L417-W490 HydrophobicContact CD1-CH2 3.97Å
418L83.6Confident83.4Confident60 Ų6043 Ų4331%0.31423%0.227SC..Hα-helixtrans-70-27.4-176.6-65.1174.3000113.5G414 L485 W490G414-L418 WeakPolarHBondContact O-CB 3.13Å; G414-L418 VanDerWaalsContact O-CG 3.29Å; G414-L418 WeakPolarHBondContact O-CG 3.29Å; G414-L418 PolarHBondContact O-N 3.37Å; L418-L485 HydrophobicContact CD1-CD1 4.16Å; L418-L485 HydrophobicContact CD2-CD1 3.97Å; L418-L485 HydrophobicContact CD2-CD2 4.01Å; L418-W490 HydrophobicContact CD1-CE3 4.22Å; L418-W490 HydrophobicContact CD1-CZ3 3.89Å; L418-W490 HydrophobicContact CD2-CH2 4.07Å; L418-W490 HydrophobicContact CD2-CZ3 3.97Å; L418-W490 HydrophobicContact CG-CE3 4.49Å; L418-W490 HydrophobicContact CG-CH2 4.2Å; L418-W490 HydrophobicContact CG-CZ3 3.69Å
419N78.8Confident83.4Confident88 Ų8847.4 Ų47.447%0.47125%0.246SC..THydrogen-bonded Turntrans-95.76.6178.3-65-64.3000113.4K415 L417 R421K415-N419 VanDerWaalsContact O-CB 3.27Å; K415-N419 WeakPolarHBondContact O-CB 3.5Å; K415-N419 PolarHBondContact O-N 2.85Å; K415-N419 PolarHBondContact O-ND2 3.46Å; L417-N419 VanDerWaalsContact C-N 3.32Å; L417-N419 PolarHBondContact O-N 2.76Å; N419-R421 VanDerWaalsContact C-N 3.26Å; N419-R421 HydrophobicContact CB-CG 3.95Å; N419-R421 WeakPolarHBondContact O-CG 3.5Å; N419-R421 PolarHBondContact O-N 2.94Å
420S72Confident83.3Confident91 Ų9148.5 Ų48.564%0.63625%0.254SS*.THydrogen-bonded Turntrans49.643.6-177.2-50.90000113.4R416 L417R416-S420 PolarHBondContact O-N 3.2Å; R416-S420 VanDerWaalsContact O-N 3.17Å; L417-S420 PolarHBondContact O-N 2.87Å
421R67.2Low83.4Confident116 Ų11647.9 Ų47.944%0.43825%0.251SS..  trans-102.514-177-67.7-167.6-179.5-164.91.7114.3R375 R416 N419R375-R421 PolarHBondContact N-O 3.02Å; R416-R421 PolarHBondContact O-N 3.46Å; N419-R421 VanDerWaalsContact C-N 3.26Å; N419-R421 HydrophobicContact CB-CG 3.95Å; N419-R421 WeakPolarHBondContact O-CG 3.5Å; N419-R421 PolarHBondContact O-N 2.94Å
422T66.7Low83.6Confident23 Ų2346.1 Ų46.114%0.14124%0.243CC..BIsolated β-bridgetrans-71.3139.9177.647.40000110.8R416 L417 E428R416-T422 HydrophobicContact CB-CG2 4.16Å; L417-T422 HydrophobicContact CD2-CG2 4.36Å; T422-E428 HydrophobicContact CG2-CG 4.04Å
423V67.9Low83.9Confident68 Ų6848.9 Ų48.941%0.41226%0.264SS..SBendtrans-73.6-52.5172.9171.80000110.2L373 R374L373-V423 VanDerWaalsContact O-CG2 3.26Å; L373-V423 WeakPolarHBondContact O-CG2 3.5Å; L373-V423 PolarHBondContact O-N 2.87Å; L373-V423 VanDerWaalsContact O-N 3.13Å; R374-V423 VanDerWaalsContact O-CG2 3.28Å; R374-V423 WeakPolarHBondContact O-CG2 3.4Å
424S78.2Confident84.1Confident27 Ų2750.8 Ų50.819%0.18927%0.272CS..  trans-147129.1-176.9171.60000109.7D426 A427 E428S424-D426 PolarHBondContact O-N 3.18Å; S424-D426 PolarHBondContact OG-N 2.95Å; S424-A427 PolarHBondContact O-N 3.08Å; S424-A427 PolarHBondContact OG-N 3.07Å; S424-E428 PolarHBondContact O-N 2.89Å
425D80.3Confident84.3Confident88 Ų8850.6 Ų50.647%0.47127%0.27SS..Hα-helixtrans-66.2-28.6176-73.6-8.1000111.5K429D425-K429 VanDerWaalsContact O-CG 3.31Å; D425-K429 WeakPolarHBondContact O-CG 3.41Å; D425-K429 PolarHBondContact O-N 3Å
426D86.4Confident84.7Confident111 Ų11151.3 Ų51.359%0.59427%0.27SS*.Hα-helixtrans-74.5-36.8178.6-66.9-27.8000111.4S424 K429 S430S424-D426 PolarHBondContact O-N 3.18Å; S424-D426 PolarHBondContact OG-N 2.95Å; D426-K429 PolarHBondContact O-N 2.89Å; D426-K429 IonicContact OD1-NZ 2.76Å; D426-S430 WeakPolarHBondContact O-CB 3.44Å; D426-S430 PolarHBondContact O-N 3.02Å
427A88.6Confident85Confident10 Ų1056.5 Ų56.58%0.08330%0.302CS..Hα-helixtrans-63.1-42.1172.400000111.7L373 L385 S424 S430 V431L373-A427 HydrophobicContact CD2-CB 3.88Å; L385-A427 HydrophobicContact CD2-CB 3.72Å; S424-A427 PolarHBondContact O-N 3.08Å; S424-A427 PolarHBondContact OG-N 3.07Å; A427-S430 WeakPolarHBondContact O-CB 3.32Å; A427-S430 PolarHBondContact O-N 3.03Å; A427-V431 PolarHBondContact O-N 2.91Å; A427-V431 VanDerWaalsContact O-N 3.1Å
428E88.8Confident85Confident0 Ų059.4 Ų59.40%032%0.315CS..Hα-helixtrans-63.8-43.1175.9-67.5-81.7-173.900111.8L413 R416 T422 S424 S430 V431 I432 F451L413-E428 WeakPolarHBondContact CD1-OE2 3.35Å; R416-E428 IonicContact CZ-OE1 3.26Å; R416-E428 IonicContact CZ-OE2 2.77Å; R416-E428 IonicContact NE-OE1 2.59Å; R416-E428 PolarHBondContact NE-OE1 3Å; R416-E428 IonicContact NE-OE2 3.96Å; R416-E428 IonicContact NH2-OE1 3.97Å; R416-E428 PolarHBondContact NH2-OE1 3.4Å; R416-E428 VanDerWaalsContact NH2-OE1 3.12Å; R416-E428 IonicContact NH2-OE2 3.57Å; R416-E428 PolarHBondContact NH2-OE2 2.85Å; T422-E428 HydrophobicContact CG2-CG 4.04Å; S424-E428 PolarHBondContact O-N 2.89Å; E428-S430 VanDerWaalsContact C-N 3.29Å; E428-S430 PolarHBondContact O-N 3.12Å; E428-V431 PolarHBondContact O-N 3.35Å; E428-I432 WeakPolarHBondContact O-CG1 3.27Å; E428-I432 PolarHBondContact O-N 3.32Å; E428-I432 VanDerWaalsContact O-N 3.14Å; E428-F451 HydrophobicContact CB-CE1 4.34Å; E428-F451 HydrophobicContact CB-CZ 3.64Å; E428-F451 HydrophobicContact CG-CZ 4.29Å
429K90.3Very high85.2Confident102 Ų10257.9 Ų57.944%0.44331%0.309SS..Hα-helixtrans-62.7-36.5174.1-73171.5-169161.90112.1D425 D426 I432 S433D425-K429 VanDerWaalsContact O-CG 3.31Å; D425-K429 WeakPolarHBondContact O-CG 3.41Å; D425-K429 PolarHBondContact O-N 3Å; D426-K429 PolarHBondContact O-N 2.89Å; D426-K429 IonicContact OD1-NZ 2.76Å; K429-I432 PolarHBondContact O-N 2.82Å; K429-S433 WeakPolarHBondContact O-CB 3.47Å; K429-S433 PolarHBondContact O-N 2.89Å
430S91.9Very high85.7Confident24 Ų2455.1 Ų55.117%0.16830%0.302CS..Hα-helixtrans-59-49.5175.1-1790000111E386 D426 A427 E428 I432 S433 K434E386-S430 VanDerWaalsContact CD-OG 3.26Å; E386-S430 PolarHBondContact OE1-OG 2.59Å; E386-S430 WeakPolarHBondContact OE2-CB 3.44Å; E386-S430 PolarHBondContact OE2-OG 2.78Å; D426-S430 WeakPolarHBondContact O-CB 3.44Å; D426-S430 PolarHBondContact O-N 3.02Å; A427-S430 WeakPolarHBondContact O-CB 3.32Å; A427-S430 PolarHBondContact O-N 3.03Å; E428-S430 VanDerWaalsContact C-N 3.29Å; E428-S430 PolarHBondContact O-N 3.12Å; S430-I432 VanDerWaalsContact C-N 3.32Å; S430-I432 PolarHBondContact O-N 3.4Å; S430-S433 WeakPolarHBondContact O-CB 3.48Å; S430-S433 PolarHBondContact O-N 3.47Å; S430-K434 WeakPolarHBondContact O-CG 3.37Å; S430-K434 PolarHBondContact O-N 3.36Å; S430-K434 VanDerWaalsContact OG-CE 3.3Å; S430-K434 WeakPolarHBondContact OG-CE 3.42Å
431V93.5Very high86.5Confident0 Ų054.4 Ų54.40%030%0.296CS..Hα-helixtrans-58.2-44.1176.4179.50000111.5I369 L373 I389 Y409 A427 E428 S433 K434 L435I369-V431 HydrophobicContact CG2-CG1 4.46Å; I369-V431 HydrophobicContact CG2-CG2 4.4Å; L373-V431 HydrophobicContact CD1-CG2 4.13Å; I389-V431 HydrophobicContact CD1-CG2 3.75Å; I389-V431 HydrophobicContact CG1-CG2 4.04Å; I389-V431 HydrophobicContact CG2-CG2 3.82Å; Y409-V431 HydrophobicContact CE2-CG1 4.05Å; Y409-V431 VanDerWaalsContact OH-CG1 3.25Å; Y409-V431 WeakPolarHBondContact OH-CG1 3.42Å; A427-V431 PolarHBondContact O-N 2.91Å; A427-V431 VanDerWaalsContact O-N 3.1Å; E428-V431 PolarHBondContact O-N 3.35Å; V431-S433 PolarHBondContact O-N 3.23Å; V431-K434 PolarHBondContact O-N 2.88Å; V431-L435 HydrophobicContact CG1-CD1 3.98Å; V431-L435 HydrophobicContact CG1-CG 4.3Å; V431-L435 WeakPolarHBondContact O-CG 3.39Å; V431-L435 PolarHBondContact O-N 2.79Å
432I93Very high87.4Confident13 Ų1356.4 Ų56.47%0.06731%0.31CS..Hα-helixtrans-63.6-42.8179-64.7167.6000111.3E428 K429 S430 K434 L435 R436 T444 I447 E448 F451E428-I432 WeakPolarHBondContact O-CG1 3.27Å; E428-I432 PolarHBondContact O-N 3.32Å; E428-I432 VanDerWaalsContact O-N 3.14Å; K429-I432 PolarHBondContact O-N 2.82Å; S430-I432 VanDerWaalsContact C-N 3.32Å; S430-I432 PolarHBondContact O-N 3.4Å; I432-K434 VanDerWaalsContact C-N 3.33Å; I432-K434 PolarHBondContact O-N 3.39Å; I432-L435 PolarHBondContact O-N 3.45Å; I432-R436 WeakPolarHBondContact O-CB 3.21Å; I432-R436 PolarHBondContact O-N 3.36Å; I432-T444 HydrophobicContact CG2-CG2 4.31Å; I432-I447 HydrophobicContact CD1-CG2 3.62Å; I432-I447 HydrophobicContact CG1-CG2 3.68Å; I432-E448 HydrophobicContact CG2-CG 3.77Å; I432-F451 HydrophobicContact CD1-CD2 3.61Å; I432-F451 HydrophobicContact CD1-CE2 3.36Å; I432-F451 HydrophobicContact CD1-CZ 4.19Å
433S94.6Very high88.4Confident71 Ų7155.4 Ų55.450%0.49730%0.304SS..Hα-helixtrans-58.6-45.6176.4-172.90000111.2K429 S430 V431 R436 T437K429-S433 WeakPolarHBondContact O-CB 3.47Å; K429-S433 PolarHBondContact O-N 2.89Å; S430-S433 WeakPolarHBondContact O-CB 3.48Å; S430-S433 PolarHBondContact O-N 3.47Å; V431-S433 PolarHBondContact O-N 3.23Å; S433-R436 WeakPolarHBondContact O-CB 3.38Å; S433-R436 PolarHBondContact O-N 3.31Å; S433-T437 PolarHBondContact O-N 3.47Å; S433-T437 PolarHBondContact O-OG1 3Å; S433-T437 VanDerWaalsContact O-OG1 3.13Å
434K94.9Very high89.6Confident41 Ų4152.2 Ų52.218%0.17828%0.284CS..Hα-helixtrans-65.4-43.7177.3-64.7177.1-160-77.80112.2E386 I389 D390 M393 S430 V431 I432 R436 T437 E438E386-K434 WeakPolarHBondContact OE1-CE 3.4Å; E386-K434 IonicContact OE1-NZ 2.66Å; E386-K434 PolarHBondContact OE1-NZ 2.95Å; I389-K434 HydrophobicContact CG2-CD 3.74Å; D390-K434 VanDerWaalsContact OD1-CE 3.31Å; D390-K434 WeakPolarHBondContact OD1-CE 3.44Å; D390-K434 IonicContact OD1-NZ 2.66Å; D390-K434 PolarHBondContact OD1-NZ 3.3Å; D390-K434 IonicContact OD2-NZ 2.99Å; M393-K434 HydrophobicContact CE-CB 4.08Å; M393-K434 HydrophobicContact CG-CB 4.02Å; M393-K434 HydrophobicContact CG-CD 3.94Å; M393-K434 HydrophobicContact SD-CB 4.23Å; S430-K434 WeakPolarHBondContact O-CG 3.37Å; S430-K434 PolarHBondContact O-N 3.36Å; S430-K434 VanDerWaalsContact OG-CE 3.3Å; S430-K434 WeakPolarHBondContact OG-CE 3.42Å; V431-K434 PolarHBondContact O-N 2.88Å; I432-K434 VanDerWaalsContact C-N 3.33Å; I432-K434 PolarHBondContact O-N 3.39Å; K434-R436 VanDerWaalsContact C-N 3.27Å; K434-R436 PolarHBondContact O-N 2.89Å; K434-T437 PolarHBondContact O-N 3.33Å; K434-E438 WeakPolarHBondContact O-CG 3.43Å; K434-E438 PolarHBondContact O-N 2.88Å; K434-E438 VanDerWaalsContact O-N 3.13Å
435L94.6Very high90.3Very high0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-60.2-37.9174.3-71.3172.3000112.1M393 F396 F405 Y409 V431 I432 E438 C439 F443 T444M393-L435 HydrophobicContact CE-CD2 4.04Å; M393-L435 HydrophobicContact SD-CD2 4.11Å; M393-L435 HydrophobicContact SD-CG 4.47Å; F396-L435 HydrophobicContact CD1-CD2 4.28Å; F396-L435 HydrophobicContact CD2-CD2 4.31Å; F396-L435 HydrophobicContact CE1-CD2 3.9Å; F396-L435 HydrophobicContact CE2-CD2 3.95Å; F396-L435 HydrophobicContact CG-CD2 4.47Å; F396-L435 HydrophobicContact CZ-CD2 3.72Å; F405-L435 HydrophobicContact CD1-CD2 4.48Å; F405-L435 HydrophobicContact CE1-CD1 4.2Å; F405-L435 HydrophobicContact CE1-CD2 3.71Å; F405-L435 HydrophobicContact CZ-CD2 4.37Å; Y409-L435 HydrophobicContact CD1-CD1 4.26Å; Y409-L435 HydrophobicContact CE1-CD1 4.11Å; V431-L435 HydrophobicContact CG1-CD1 3.98Å; V431-L435 HydrophobicContact CG1-CG 4.3Å; V431-L435 WeakPolarHBondContact O-CG 3.39Å; V431-L435 PolarHBondContact O-N 2.79Å; I432-L435 PolarHBondContact O-N 3.45Å; L435-E438 PolarHBondContact O-N 3.23Å; L435-C439 PolarHBondContact O-N 3.05Å; L435-F443 HydrophobicContact CD2-CE1 4.32Å; L435-T444 HydrophobicContact CB-CG2 3.93Å
436R93.6Very high90.8Very high126 Ų12654.2 Ų54.248%0.47529%0.29SS..Hα-helixtrans-66.4-40.7176.6-179.4175.1169.7176.5-5.3111.9I432 S433 K434 E438 G440 T444 E448I432-R436 WeakPolarHBondContact O-CB 3.21Å; I432-R436 PolarHBondContact O-N 3.36Å; S433-R436 WeakPolarHBondContact O-CB 3.38Å; S433-R436 PolarHBondContact O-N 3.31Å; K434-R436 VanDerWaalsContact C-N 3.27Å; K434-R436 PolarHBondContact O-N 2.89Å; R436-E438 VanDerWaalsContact C-N 3.31Å; R436-E438 PolarHBondContact O-N 3.05Å; R436-G440 WeakPolarHBondContact O-CA 3.32Å; R436-G440 PolarHBondContact O-N 2.95Å; R436-T444 HydrophobicContact CB-CG2 3.75Å; R436-E448 IonicContact NH1-OE1 3.72Å
437T92.3Very high91.2Very high112 Ų11249 Ų4969%0.68726%0.262SS*.Hα-helixtrans-61.8-41.4176.4-61.10000111.3S433 K434S433-T437 PolarHBondContact O-N 3.47Å; S433-T437 PolarHBondContact O-OG1 3Å; S433-T437 VanDerWaalsContact O-OG1 3.13Å; K434-T437 PolarHBondContact O-N 3.33Å
438E87.4Confident91.4Very high77 Ų7750.8 Ų50.836%0.3627%0.268SS..Hα-helixtrans-78.1-41.2-177.1-64.8-64.5165.500113.7M393 F396 R397 K434 L435 R436M393-E438 HydrophobicContact CE-CB 4.49Å; M393-E438 HydrophobicContact CE-CG 3.74Å; F396-E438 HydrophobicContact CD1-CB 4.44Å; F396-E438 HydrophobicContact CE1-CB 4.02Å; R397-E438 VanDerWaalsContact CD-CD 3.47Å; R397-E438 VanDerWaalsContact CD-OE1 3.25Å; R397-E438 WeakPolarHBondContact CD-OE1 3.46Å; R397-E438 VanDerWaalsContact CD-OE2 3.24Å; R397-E438 WeakPolarHBondContact CD-OE2 3.4Å; R397-E438 VanDerWaalsContact CG-CD 3.49Å; R397-E438 HydrophobicContact CG-CG 4.29Å; R397-E438 VanDerWaalsContact CG-OE2 3.23Å; R397-E438 WeakPolarHBondContact CG-OE2 3.25Å; R397-E438 IonicContact CZ-OE1 3.49Å; R397-E438 IonicContact NE-OE1 3.62Å; R397-E438 PolarHBondContact NE-OE1 2.74Å; R397-E438 IonicContact NE-OE2 2.66Å; K434-E438 WeakPolarHBondContact O-CG 3.43Å; K434-E438 PolarHBondContact O-N 2.88Å; K434-E438 VanDerWaalsContact O-N 3.13Å; L435-E438 PolarHBondContact O-N 3.23Å; R436-E438 VanDerWaalsContact C-N 3.31Å; R436-E438 PolarHBondContact O-N 3.05Å
439C89.1Confident91.6Very high27 Ų2750.9 Ų50.918%0.18227%0.27CS..Hα-helixtrans-114.7-6.3-171-630000114.7F396 L435 F443F396-C439 VanDerWaalsContact CE1-SG 3.58Å; F396-C439 VanDerWaalsContact CZ-SG 3.54Å; L435-C439 PolarHBondContact O-N 3.05Å; C439-F443 HydrophobicContact CB-CB 3.53Å; C439-F443 HydrophobicContact CB-CD1 3.74Å; C439-F443 HydrophobicContact CB-CD2 3.74Å; C439-F443 HydrophobicContact CB-CE1 4.35Å; C439-F443 HydrophobicContact CB-CE2 4.34Å; C439-F443 HydrophobicContact CB-CG 3.39Å
440G88.3Confident91.8Very high31 Ų3146 Ų4632%0.3225%0.249SC..  trans84.2170.7-177.900000114.6R436 Q442 F443R436-G440 WeakPolarHBondContact O-CA 3.32Å; R436-G440 PolarHBondContact O-N 2.95Å; G440-Q442 VanDerWaalsContact C-N 3.32Å; G440-Q442 PolarHBondContact O-N 3.38Å; G440-F443 WeakPolarHBondContact O-CB 3.31Å; G440-F443 PolarHBondContact O-N 3.1Å
441C89.2Confident91.7Very high75 Ų7546 Ų4651%0.50725%0.245SC..Hα-helixtrans-66.3-27.8-174.358.70000114.3F443 T444 N445C441-F443 VanDerWaalsContact C-N 3.27Å; C441-F443 PolarHBondContact O-N 3.05Å; C441-T444 PolarHBondContact O-N 3.41Å; C441-T444 PolarHBondContact O-OG1 3.24Å; C441-N445 WeakPolarHBondContact O-CB 3.11Å; C441-N445 PolarHBondContact O-N 2.92Å
442Q86.7Confident91.7Very high159 Ų15951.8 Ų51.874%0.74327%0.271SS*.Hα-helixtrans-66.1-33.5178.4-68.3-170.4-12.500111.9G440G440-Q442 VanDerWaalsContact C-N 3.32Å; G440-Q442 PolarHBondContact O-N 3.38Å
443F87.6Confident91.7Very high2 Ų251.7 Ų51.71%0.00927%0.27CS..Hα-helixtrans-67.6-42.6176.7-171.3-91.4000111.4F396 K402 E406 L435 C439 G440 C441F396-F443 HydrophobicContact CZ-CE1 4.41Å; F396-F443 HydrophobicContact CZ-CZ 4.17Å; K402-F443 HydrophobicContact CB-CE2 4.34Å; K402-F443 WeakPolarHBondContact O-CZ 3.38Å; E406-F443 HydrophobicContact CB-CE1 4.22Å; E406-F443 HydrophobicContact CB-CE2 3.67Å; E406-F443 HydrophobicContact CB-CZ 3.48Å; E406-F443 VanDerWaalsContact CB-CZ 3.48Å; E406-F443 HydrophobicContact CG-CD1 4.39Å; E406-F443 HydrophobicContact CG-CD2 4.25Å; E406-F443 HydrophobicContact CG-CE1 3.96Å; E406-F443 HydrophobicContact CG-CE2 3.81Å; E406-F443 HydrophobicContact CG-CZ 3.66Å; L435-F443 HydrophobicContact CD2-CE1 4.32Å; C439-F443 HydrophobicContact CB-CB 3.53Å; C439-F443 HydrophobicContact CB-CD1 3.74Å; C439-F443 HydrophobicContact CB-CD2 3.74Å; C439-F443 HydrophobicContact CB-CE1 4.35Å; C439-F443 HydrophobicContact CB-CE2 4.34Å; C439-F443 HydrophobicContact CB-CG 3.39Å; G440-F443 WeakPolarHBondContact O-CB 3.31Å; G440-F443 PolarHBondContact O-N 3.1Å; C441-F443 VanDerWaalsContact C-N 3.27Å; C441-F443 PolarHBondContact O-N 3.05Å
444T92.8Very high91.5Very high0 Ų050.3 Ų50.30%026%0.259CS..Hα-helixtrans-87.6-14-177.460.40000114.5I432 L435 R436 C441 K446 I447 E448I432-T444 HydrophobicContact CG2-CG2 4.31Å; L435-T444 HydrophobicContact CB-CG2 3.93Å; R436-T444 HydrophobicContact CB-CG2 3.75Å; C441-T444 PolarHBondContact O-N 3.41Å; C441-T444 PolarHBondContact O-OG1 3.24Å; T444-K446 VanDerWaalsContact C-N 3.31Å; T444-K446 PolarHBondContact O-N 3.11Å; T444-K446 VanDerWaalsContact O-N 3.16Å; T444-I447 CarbonylContact O-C 3.51Å; T444-I447 WeakPolarHBondContact O-CA 3.41Å; T444-I447 WeakPolarHBondContact O-CB 3.47Å; T444-I447 PolarHBondContact O-N 2.6Å; T444-E448 WeakPolarHBondContact CB-OE1 3.22Å; T444-E448 PolarHBondContact O-N 3.27Å; T444-E448 PolarHBondContact OG1-OE1 3.45Å
445N92.1Very high91.3Very high88 Ų8853.7 Ų53.747%0.47128%0.275SS..Hα-helixtrans-51-45.9-173.8-17630.5000113.7C441 G449C441-N445 WeakPolarHBondContact O-CB 3.11Å; C441-N445 PolarHBondContact O-N 2.92Å; N445-G449 PolarHBondContact O-N 2.75Å
446K92Very high91.2Very high70 Ų7059.2 Ų59.230%0.30430%0.304SS..Hα-helixtrans-66.4-40.8178.6-65-176.3178.3178.10111.7K410 T444 G449 M450 F489K410-K446 HydrophobicContact CD-CB 4.27Å; T444-K446 VanDerWaalsContact C-N 3.31Å; T444-K446 PolarHBondContact O-N 3.11Å; T444-K446 VanDerWaalsContact O-N 3.16Å; K446-G449 PolarHBondContact O-N 2.81Å; K446-M450 WeakPolarHBondContact O-CG 3.24Å; K446-M450 PolarHBondContact O-N 2.91Å; K446-F489 HydrophobicContact CB-CD1 4.25Å; K446-F489 HydrophobicContact CG-CD1 4.01Å
447I93.3Very high91.2Very high1 Ų153.4 Ų53.41%0.00528%0.283CS..Hα-helixtrans-65.5-46.1178.8-66.9165000110.7Y409 K410 L413 I432 T444 G449 M450 F451Y409-I447 HydrophobicContact CD1-CD1 3.98Å; Y409-I447 HydrophobicContact CE1-CD1 4.44Å; K410-I447 HydrophobicContact CD-CG1 4.19Å; K410-I447 HydrophobicContact CG-CD1 4.19Å; K410-I447 HydrophobicContact CG-CG1 3.58Å; L413-I447 HydrophobicContact CD2-CB 4.5Å; L413-I447 HydrophobicContact CD2-CG2 3.51Å; I432-I447 HydrophobicContact CD1-CG2 3.62Å; I432-I447 HydrophobicContact CG1-CG2 3.68Å; T444-I447 CarbonylContact O-C 3.51Å; T444-I447 WeakPolarHBondContact O-CA 3.41Å; T444-I447 WeakPolarHBondContact O-CB 3.47Å; T444-I447 PolarHBondContact O-N 2.6Å; I447-G449 VanDerWaalsContact C-N 3.29Å; I447-G449 PolarHBondContact O-N 3.43Å; I447-M450 WeakPolarHBondContact O-CB 3.46Å; I447-M450 PolarHBondContact O-N 3.35Å; I447-M450 VanDerWaalsContact O-N 3.17Å; I447-F451 PolarHBondContact O-N 3.29Å
448E93.5Very high91.1Very high47 Ų4751 Ų5122%0.2228%0.275CS..Hα-helixtrans-62.8-37.4174.9-69.2176.2-157.700111.4I432 R436 T444 M450 F451 K452I432-E448 HydrophobicContact CG2-CG 3.77Å; R436-E448 IonicContact NH1-OE1 3.72Å; T444-E448 WeakPolarHBondContact CB-OE1 3.22Å; T444-E448 PolarHBondContact O-N 3.27Å; T444-E448 PolarHBondContact OG1-OE1 3.45Å; E448-M450 VanDerWaalsContact C-N 3.33Å; E448-M450 PolarHBondContact O-N 3.06Å; E448-F451 PolarHBondContact O-N 2.63Å; E448-K452 PolarHBondContact O-N 2.94Å; E448-K452 VanDerWaalsContact O-N 3.17Å
449G93.9Very high91.4Very high3 Ų352.1 Ų52.13%0.03129%0.287CS..Hα-helixtrans-59.4-40172.300000113.2N445 K446 I447 F451 K452 D453N445-G449 PolarHBondContact O-N 2.75Å; K446-G449 PolarHBondContact O-N 2.81Å; I447-G449 VanDerWaalsContact C-N 3.29Å; I447-G449 PolarHBondContact O-N 3.43Å; G449-F451 VanDerWaalsContact C-N 3.33Å; G449-F451 PolarHBondContact O-N 2.8Å; G449-K452 PolarHBondContact O-N 3.33Å; G449-D453 PolarHBondContact O-N 3.08Å
450M93.5Very high91.7Very high0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-60.5-41175.7-65166.165.800111.9K410 L413 G414 L417 K446 I447 E448 D453 V454 F489 W490K410-M450 HydrophobicContact CB-SD 4.49Å; K410-M450 HydrophobicContact CG-SD 4.29Å; L413-M450 HydrophobicContact CB-CE 4.46Å; L413-M450 HydrophobicContact CD2-CE 4.23Å; L413-M450 HydrophobicContact CD2-SD 4.39Å; L413-M450 HydrophobicContact CG-CE 4.2Å; G414-M450 VanDerWaalsContact CA-CE 3.42Å; L417-M450 HydrophobicContact CD1-CB 4.11Å; L417-M450 HydrophobicContact CD1-CE 4.43Å; K446-M450 WeakPolarHBondContact O-CG 3.24Å; K446-M450 PolarHBondContact O-N 2.91Å; I447-M450 WeakPolarHBondContact O-CB 3.46Å; I447-M450 PolarHBondContact O-N 3.35Å; I447-M450 VanDerWaalsContact O-N 3.17Å; E448-M450 VanDerWaalsContact C-N 3.33Å; E448-M450 PolarHBondContact O-N 3.06Å; M450-D453 PolarHBondContact O-N 3.39Å; M450-V454 WeakPolarHBondContact O-CG2 3.34Å; M450-V454 PolarHBondContact O-N 3.34Å; M450-V454 VanDerWaalsContact O-N 3.16Å; M450-F489 HydrophobicContact CG-CB 4.31Å; M450-W490 HydrophobicContact CB-CD2 4.4Å; M450-W490 HydrophobicContact CB-CH2 4.08Å; M450-W490 HydrophobicContact CB-CZ2 3.59Å; M450-W490 HydrophobicContact CE-CD2 4.1Å; M450-W490 HydrophobicContact CE-CE3 3.67Å; M450-W490 HydrophobicContact CE-CH2 4.15Å; M450-W490 HydrophobicContact CE-CZ3 3.69Å; M450-W490 HydrophobicContact CG-CD2 3.86Å; M450-W490 HydrophobicContact CG-CE3 4.39Å; M450-W490 HydrophobicContact CG-CG 4.21Å; M450-W490 HydrophobicContact CG-CZ2 3.99Å; M450-W490 WeakPolarHBondContact O-CZ2 3.32Å
451F90.5Very high92Very high22 Ų2250.3 Ų50.310%0.09627%0.267CS..Hα-helixtrans-64-43.3175.5-90.1-90.8000112.5L413 L417 E428 I432 I447 E448 G449 D453 V454 Q455L413-F451 HydrophobicContact CD1-CE2 3.82Å; L413-F451 HydrophobicContact CD1-CZ 4.12Å; L413-F451 HydrophobicContact CD2-CE2 3.95Å; L413-F451 HydrophobicContact CG-CE2 4.4Å; L417-F451 HydrophobicContact CD1-CD2 4.28Å; L417-F451 HydrophobicContact CD1-CE2 4.16Å; L417-F451 HydrophobicContact CD1-CZ 4.49Å; L417-F451 HydrophobicContact CD2-CD1 4.42Å; L417-F451 HydrophobicContact CD2-CE1 3.89Å; L417-F451 HydrophobicContact CD2-CE2 4.28Å; L417-F451 HydrophobicContact CD2-CZ 3.79Å; E428-F451 HydrophobicContact CB-CE1 4.34Å; E428-F451 HydrophobicContact CB-CZ 3.64Å; E428-F451 HydrophobicContact CG-CZ 4.29Å; I432-F451 HydrophobicContact CD1-CD2 3.61Å; I432-F451 HydrophobicContact CD1-CE2 3.36Å; I432-F451 HydrophobicContact CD1-CZ 4.19Å; I447-F451 PolarHBondContact O-N 3.29Å; E448-F451 PolarHBondContact O-N 2.63Å; G449-F451 VanDerWaalsContact C-N 3.33Å; G449-F451 PolarHBondContact O-N 2.8Å; F451-D453 VanDerWaalsContact C-N 3.33Å; F451-D453 PolarHBondContact O-N 3.17Å; F451-V454 PolarHBondContact O-N 2.87Å; F451-Q455 WeakPolarHBondContact O-CG 3.39Å; F451-Q455 PolarHBondContact O-N 3.35Å; F451-Q455 VanDerWaalsContact O-N 3.14Å
452K92.4Very high92.2Very high122 Ų12252.4 Ų52.453%0.5327%0.268SS..Hα-helixtrans-61-43.4176.6-69.3176-176.3173.70111.3E448 G449 V454 Q455 L456E448-K452 PolarHBondContact O-N 2.94Å; E448-K452 VanDerWaalsContact O-N 3.17Å; G449-K452 PolarHBondContact O-N 3.33Å; K452-V454 VanDerWaalsContact C-N 3.34Å; K452-V454 PolarHBondContact O-N 3.46Å; K452-Q455 PolarHBondContact O-N 2.82Å; K452-L456 WeakPolarHBondContact O-CB 3.49Å; K452-L456 VanDerWaalsContact O-CG 3.27Å; K452-L456 WeakPolarHBondContact O-CG 3.15Å; K452-L456 PolarHBondContact O-N 2.87Å
453D94Very high92.4Very high11 Ų1148.2 Ų48.26%0.05925%0.25CC..Hα-helixtrans-60.2-42.3178-75.8-18.3000112.1G449 M450 F451 S457 T486 W490G449-D453 PolarHBondContact O-N 3.08Å; M450-D453 PolarHBondContact O-N 3.39Å; F451-D453 VanDerWaalsContact C-N 3.33Å; F451-D453 PolarHBondContact O-N 3.17Å; D453-S457 WeakPolarHBondContact O-CB 3.46Å; D453-S457 PolarHBondContact O-N 3.28Å; D453-S457 PolarHBondContact O-OG 3.19Å; D453-T486 PolarHBondContact OD1-OG1 3.22Å; D453-T486 VanDerWaalsContact OD2-CB 3.27Å; D453-T486 WeakPolarHBondContact OD2-CB 3.43Å; D453-T486 PolarHBondContact OD2-N 2.82Å; D453-T486 PolarHBondContact OD2-OG1 3.16Å; D453-W490 HydrophobicContact CB-CZ2 4.2Å; D453-W490 PolarHBondContact OD2-NE1 3.4Å
454V89.8Confident92.6Very high43 Ų4348.8 Ų48.826%0.26125%0.252SS..Hα-helixtrans-63.1-44.6177.7173.20000111.2L417 M450 F451 K452 S457 A458 W490L417-V454 HydrophobicContact CB-CG2 4.09Å; L417-V454 HydrophobicContact CD1-CG2 4.21Å; M450-V454 WeakPolarHBondContact O-CG2 3.34Å; M450-V454 PolarHBondContact O-N 3.34Å; M450-V454 VanDerWaalsContact O-N 3.16Å; F451-V454 PolarHBondContact O-N 2.87Å; K452-V454 VanDerWaalsContact C-N 3.34Å; K452-V454 PolarHBondContact O-N 3.46Å; V454-S457 PolarHBondContact O-N 3.24Å; V454-A458 PolarHBondContact O-N 2.78Å; V454-W490 HydrophobicContact CG2-CH2 3.83Å; V454-W490 HydrophobicContact CG2-CZ2 3.97Å
455Q90.1Very high92.5Very high112 Ų11254.6 Ų54.652%0.52327%0.274SS..Hα-helixtrans-64.9-48.3178.2-69.2174.42.100111.7F451 K452 S457 A458 T459F451-Q455 WeakPolarHBondContact O-CG 3.39Å; F451-Q455 PolarHBondContact O-N 3.35Å; F451-Q455 VanDerWaalsContact O-N 3.14Å; K452-Q455 PolarHBondContact O-N 2.82Å; Q455-S457 VanDerWaalsContact C-N 3.28Å; Q455-S457 PolarHBondContact O-N 2.75Å; Q455-A458 PolarHBondContact O-N 3.02Å; Q455-T459 PolarHBondContact O-N 3.48Å; Q455-T459 VanDerWaalsContact O-N 3.09Å; Q455-T459 PolarHBondContact O-OG1 3.36Å
456L93.5Very high92.4Very high115 Ų11554.4 Ų54.460%0.60227%0.27SS*.Hα-helixtrans-61.8-37.5177.6-70.4173.2000111.8K452 T459 F460K452-L456 WeakPolarHBondContact O-CB 3.49Å; K452-L456 VanDerWaalsContact O-CG 3.27Å; K452-L456 WeakPolarHBondContact O-CG 3.15Å; K452-L456 PolarHBondContact O-N 2.87Å; L456-T459 PolarHBondContact O-N 3.16Å; L456-F460 WeakPolarHBondContact O-CB 3.48Å; L456-F460 PolarHBondContact O-N 3.39Å
457S93.1Very high92.2Very high5 Ų555.4 Ų55.44%0.03528%0.276CS..Hα-helixtrans-62-44.1174.5-64.40000111.9D453 V454 Q455 T459 F460 M461 I484D453-S457 WeakPolarHBondContact O-CB 3.46Å; D453-S457 PolarHBondContact O-N 3.28Å; D453-S457 PolarHBondContact O-OG 3.19Å; V454-S457 PolarHBondContact O-N 3.24Å; Q455-S457 VanDerWaalsContact C-N 3.28Å; Q455-S457 PolarHBondContact O-N 2.75Å; S457-T459 VanDerWaalsContact C-N 3.34Å; S457-T459 PolarHBondContact O-N 2.72Å; S457-F460 PolarHBondContact O-N 2.93Å; S457-M461 WeakPolarHBondContact O-CB 3.4Å; S457-M461 WeakPolarHBondContact O-CG 3.26Å; S457-M461 PolarHBondContact O-N 3Å; S457-I484 PolarHBondContact OG-N 3.11Å; S457-I484 PolarHBondContact OG-O 2.99Å; S457-I484 VanDerWaalsContact OG-O 3.04Å
458A91.1Very high91.7Very high62 Ų6259.7 Ų59.751%0.51229%0.292SS..Hα-helixtrans-62.4-42.1177.800000111.8V454 Q455 M461 K462V454-A458 PolarHBondContact O-N 2.78Å; Q455-A458 PolarHBondContact O-N 3.02Å; A458-M461 PolarHBondContact O-N 3.3Å; A458-K462 PolarHBondContact O-N 2.82Å
459T93.9Very high91.3Very high100 Ų10064.9 Ų64.961%0.61332%0.317SS*.Hα-helixtrans-63.3-45.8174.9-59.50000111.6Q455 L456 S457 M461 K462 L463Q455-T459 PolarHBondContact O-N 3.48Å; Q455-T459 VanDerWaalsContact O-N 3.09Å; Q455-T459 PolarHBondContact O-OG1 3.36Å; L456-T459 PolarHBondContact O-N 3.16Å; S457-T459 VanDerWaalsContact C-N 3.34Å; S457-T459 PolarHBondContact O-N 2.72Å; T459-M461 VanDerWaalsContact C-N 3.34Å; T459-M461 PolarHBondContact O-N 2.92Å; T459-K462 WeakPolarHBondContact O-CB 3.43Å; T459-K462 PolarHBondContact O-N 2.82Å; T459-L463 PolarHBondContact O-N 3.1Å; T459-L463 VanDerWaalsContact O-N 3.16Å
460F94.9Very high90.8Very high14 Ų1472 Ų726%0.06135%0.346CS..Hα-helixtrans-63.1-40.1176.8179.7-98.9000112.2L456 S457 K462 L463 Y464 I484 L512 L515 Y516L456-F460 WeakPolarHBondContact O-CB 3.48Å; L456-F460 PolarHBondContact O-N 3.39Å; S457-F460 PolarHBondContact O-N 2.93Å; F460-K462 VanDerWaalsContact C-N 3.27Å; F460-K462 PolarHBondContact O-N 2.85Å; F460-L463 WeakPolarHBondContact O-CB 3.44Å; F460-L463 PolarHBondContact O-N 2.93Å; F460-Y464 PolarHBondContact O-N 3.17Å; F460-I484 HydrophobicContact CD1-CD1 3.45Å; F460-I484 VanDerWaalsContact CD1-CD1 3.45Å; F460-I484 HydrophobicContact CE1-CD1 3.67Å; F460-I484 HydrophobicContact CG-CD1 4.17Å; F460-L512 HydrophobicContact CE1-CD2 4.16Å; F460-L512 HydrophobicContact CE1-CG 4.18Å; F460-L515 HydrophobicContact CE2-CD2 4.49Å; F460-L515 HydrophobicContact CE2-CG 4.41Å; F460-L515 HydrophobicContact CZ-CB 4.48Å; F460-L515 HydrophobicContact CZ-CD2 4.28Å; F460-L515 HydrophobicContact CZ-CG 4.31Å; F460-Y516 HydrophobicContact CD1-CD2 4.23Å; F460-Y516 HydrophobicContact CD2-CD2 4Å; F460-Y516 AromaticContact CE1-CD2 4Å; F460-Y516 HydrophobicContact CE1-CD2 4Å; F460-Y516 AromaticContact CE2-CD2 3.77Å; F460-Y516 HydrophobicContact CE2-CD2 3.77Å; F460-Y516 HydrophobicContact CE2-CG 4.33Å; F460-Y516 HydrophobicContact CG-CD2 4.23Å; F460-Y516 AromaticContact CZ-CD2 3.77Å; F460-Y516 HydrophobicContact CZ-CD2 3.77Å; F460-Y516 HydrophobicContact CZ-CG 4.16Å
461M93.7Very high89.9Confident6 Ų673.4 Ų73.43%0.0336%0.361CS..Hα-helixtrans-66.4-28.7176.8-74.8-52.9-48.100113S457 A458 T459 Y464 R465 I480 A482 L512S457-M461 WeakPolarHBondContact O-CB 3.4Å; S457-M461 WeakPolarHBondContact O-CG 3.26Å; S457-M461 PolarHBondContact O-N 3Å; A458-M461 PolarHBondContact O-N 3.3Å; T459-M461 VanDerWaalsContact C-N 3.34Å; T459-M461 PolarHBondContact O-N 2.92Å; M461-Y464 HydrophobicContact CE-CD1 3.88Å; M461-R465 WeakPolarHBondContact O-CG 3.35Å; M461-R465 PolarHBondContact O-N 3.28Å; M461-R465 VanDerWaalsContact O-N 3.15Å; M461-I480 WeakPolarHBondContact CE-O 3.31Å; M461-A482 WeakPolarHBondContact CG-O 3.49Å; M461-A482 HydrophobicContact SD-CB 3.83Å; M461-A482 PolarHBondContact SD-N 3.35Å; M461-A482 VanDerWaalsContact SD-N 3.35Å; M461-L512 HydrophobicContact CE-CD1 4.35Å; M461-L512 HydrophobicContact SD-CD1 3.93Å
462K93.1Very high88.9Confident119 Ų11978.6 Ų78.652%0.51740%0.397SS..Hα-helixtrans-65.7-48.7170.5-171.1-174.5176.9-167.80110.8A458 T459 F460 Y464 R465 E466A458-K462 PolarHBondContact O-N 2.82Å; T459-K462 WeakPolarHBondContact O-CB 3.43Å; T459-K462 PolarHBondContact O-N 2.82Å; F460-K462 VanDerWaalsContact C-N 3.27Å; F460-K462 PolarHBondContact O-N 2.85Å; K462-Y464 VanDerWaalsContact C-N 3.32Å; K462-Y464 PolarHBondContact O-N 2.97Å; K462-R465 PolarHBondContact O-N 3.27Å; K462-E466 VanDerWaalsContact CE-OE1 3.22Å; K462-E466 WeakPolarHBondContact CE-OE1 3.43Å; K462-E466 IonicContact NZ-OE1 2.59Å; K462-E466 WeakPolarHBondContact O-CG 3.29Å; K462-E466 PolarHBondContact O-N 2.71Å
463L92.4Very high87.4Confident70 Ų7078.8 Ų78.837%0.36641%0.414SS..Hα-helixtrans-58-43.8176-178.273.2000112T459 F460 R465 E466 E467 N519T459-L463 PolarHBondContact O-N 3.1Å; T459-L463 VanDerWaalsContact O-N 3.16Å; F460-L463 WeakPolarHBondContact O-CB 3.44Å; F460-L463 PolarHBondContact O-N 2.93Å; L463-R465 VanDerWaalsContact C-N 3.34Å; L463-R465 PolarHBondContact O-N 2.61Å; L463-E466 PolarHBondContact O-N 3.05Å; L463-E467 PolarHBondContact O-N 3.26Å; L463-N519 WeakPolarHBondContact CD2-ND2 3.45Å
464Y91.7Very high85.8Confident14 Ų1481.4 Ų81.46%0.05543%0.433CS..Hα-helixtrans-61.8-40.1177.8178-98.9000112.4F460 M461 K462 E467 R468 I480 L512 L515F460-Y464 PolarHBondContact O-N 3.17Å; M461-Y464 HydrophobicContact CE-CD1 3.88Å; K462-Y464 VanDerWaalsContact C-N 3.32Å; K462-Y464 PolarHBondContact O-N 2.97Å; Y464-E467 PolarHBondContact O-N 3.38Å; Y464-R468 WeakPolarHBondContact O-CB 3.26Å; Y464-R468 PolarHBondContact O-N 3.21Å; Y464-I480 HydrophobicContact CD1-CG2 4.43Å; Y464-I480 HydrophobicContact CE1-CG2 3.51Å; Y464-L512 HydrophobicContact CD1-CD1 4.36Å; Y464-L512 HydrophobicContact CD2-CB 4.18Å; Y464-L512 HydrophobicContact CD2-CD1 4.43Å; Y464-L512 HydrophobicContact CD2-CG 4.17Å; Y464-L512 HydrophobicContact CE1-CD1 4.35Å; Y464-L512 HydrophobicContact CE2-CB 3.7Å; Y464-L512 HydrophobicContact CE2-CD1 4.44Å; Y464-L512 HydrophobicContact CE2-CG 4.18Å; Y464-L512 HydrophobicContact CG-CD1 4.4Å; Y464-L515 HydrophobicContact CD2-CD2 3.66Å; Y464-L515 HydrophobicContact CG-CD2 4.34Å
465R89.9Confident84.4Confident123 Ų12385.8 Ų85.846%0.46447%0.465SS..Hα-helixtrans-64.3-45.1175.3-76.8-169.8-64.2-96.4-1.1111.9M461 K462 L463 E467 R468 E469M461-R465 WeakPolarHBondContact O-CG 3.35Å; M461-R465 PolarHBondContact O-N 3.28Å; M461-R465 VanDerWaalsContact O-N 3.15Å; K462-R465 PolarHBondContact O-N 3.27Å; L463-R465 VanDerWaalsContact C-N 3.34Å; L463-R465 PolarHBondContact O-N 2.61Å; R465-E467 VanDerWaalsContact C-N 3.31Å; R465-E467 PolarHBondContact O-N 3.47Å; R465-R468 WeakPolarHBondContact O-CB 3.49Å; R465-R468 PolarHBondContact O-N 2.9Å; R465-E469 WeakPolarHBondContact O-CG 3.21Å; R465-E469 PolarHBondContact O-N 3.16Å
466E90.1Very high83.1Confident83 Ų8385.9 Ų85.939%0.38848%0.479SS..Hα-helixtrans-60.9-39.6177.7-69.9170.1-174.900112K462 L463 E469 K470K462-E466 VanDerWaalsContact CE-OE1 3.22Å; K462-E466 WeakPolarHBondContact CE-OE1 3.43Å; K462-E466 IonicContact NZ-OE1 2.59Å; K462-E466 WeakPolarHBondContact O-CG 3.29Å; K462-E466 PolarHBondContact O-N 2.71Å; L463-E466 PolarHBondContact O-N 3.05Å; E466-E469 PolarHBondContact O-N 2.92Å; E466-K470 WeakPolarHBondContact O-CG 3.29Å; E466-K470 PolarHBondContact O-N 3.05Å
467E86.9Confident82.1Confident91 Ų9182.7 Ų82.743%0.42546%0.461SS..Hα-helixtrans-71.2-34.8177.4-161.661.1-162.400112.3L463 Y464 R465 K470 L515L463-E467 PolarHBondContact O-N 3.26Å; Y464-E467 PolarHBondContact O-N 3.38Å; R465-E467 VanDerWaalsContact C-N 3.31Å; R465-E467 PolarHBondContact O-N 3.47Å; E467-K470 PolarHBondContact O-N 2.66Å; E467-K470 IonicContact OE2-NZ 2.82Å; E467-K470 PolarHBondContact OE2-NZ 2.66Å; E467-L515 HydrophobicContact CB-CD2 4.4Å; E467-L515 HydrophobicContact CG-CD1 4.41Å
468R84Confident81.8Confident91 Ų9184.9 Ų84.934%0.34347%0.474SS..Hα-helixtrans-65.6-38.4175-173.5-179175-146.5-3.7112Y464 R465 K470 G471 E477Y464-R468 WeakPolarHBondContact O-CB 3.26Å; Y464-R468 PolarHBondContact O-N 3.21Å; R465-R468 WeakPolarHBondContact O-CB 3.49Å; R465-R468 PolarHBondContact O-N 2.9Å; R468-K470 PolarHBondContact O-N 3.34Å; R468-G471 PolarHBondContact O-N 3.46Å; R468-G471 VanDerWaalsContact O-N 3.15Å; R468-E477 IonicContact CZ-OE2 4Å; R468-E477 IonicContact NE-OE2 2.62Å; R468-E477 PolarHBondContact NE-OE2 3.48Å; R468-E477 PolarHBondContact NH2-O 3.19Å; R468-E477 IonicContact NH2-OE2 2.93Å
469E84Confident81.7Confident157 Ų15790 Ų9073%0.73449%0.487SS*.Hα-helixtrans-66.1-24.7178.3-74.9173.3-176.300113.3R465 E466 G471R465-E469 WeakPolarHBondContact O-CG 3.21Å; R465-E469 PolarHBondContact O-N 3.16Å; E466-E469 PolarHBondContact O-N 2.92Å; E469-G471 VanDerWaalsContact C-N 3.35Å
470K83.8Confident81.5Confident151 Ų15187 Ų8766%0.65747%0.467SS*.Hα-helixtrans-77.8-19.7174-63.3172.8-162.3161.60113.3E466 E467 R468E466-K470 WeakPolarHBondContact O-CG 3.29Å; E466-K470 PolarHBondContact O-N 3.05Å; E467-K470 PolarHBondContact O-N 2.66Å; E467-K470 IonicContact OE2-NZ 2.82Å; E467-K470 PolarHBondContact OE2-NZ 2.66Å; R468-K470 PolarHBondContact O-N 3.34Å
471G75.5Confident81.3Confident30 Ų3091.2 Ų91.231%0.30950%0.498SS..SBendtrans-78164.3-179.800000113.1R468 E469 S473R468-G471 PolarHBondContact O-N 3.46Å; R468-G471 VanDerWaalsContact O-N 3.15Å; E469-G471 VanDerWaalsContact C-N 3.35Å; G471-S473 PolarHBondContact O-N 3.24Å
472P69.2Low81.2Confident131 Ų13192 Ų9285%0.85151%0.505SS*.  trans-59.8125.3174.723.8-31.5000110.4S474P472-S474 PolarHBondContact O-N 2.59Å
473S59.7Low81.2Confident127 Ų12789.5 Ų89.589%0.88850%0.503SS*.  trans-67.585.3-175.1-390000111.4G471 S475G471-S473 PolarHBondContact O-N 3.24Å; S473-S475 PolarHBondContact O-N 3.4Å
474S61.4Low81.2Confident65 Ų6587.5 Ų87.546%0.45549%0.492SS..  trans-83.4114.7171.376.20000109.6P472 S476 E477P472-S474 PolarHBondContact O-N 2.59Å; S474-S476 PolarHBondContact O-N 3.41Å; S474-E477 PolarHBondContact O-N 2.94Å
475S59.8Low81.2Confident135 Ų13589 Ų8994%0.94450%0.501SS*.THydrogen-bonded Turntrans-66-3.5179.754.50000114.4S473S473-S475 PolarHBondContact O-N 3.4Å
476S63.1Low81.4Confident115 Ų11585.8 Ų85.880%0.80450%0.495SS*.THydrogen-bonded Turntrans-104.54.7-176.1-149.70000113.7S474S474-S476 PolarHBondContact O-N 3.41Å
477E72.5Confident81.3Confident47 Ų4786.8 Ų86.822%0.2251%0.507CS..PPolyproline II helixtrans-83.8126-174-139-177.1-156.500112.4R468 S474 E479 K511R468-E477 IonicContact CZ-OE2 4Å; R468-E477 IonicContact NE-OE2 2.62Å; R468-E477 PolarHBondContact NE-OE2 3.48Å; R468-E477 PolarHBondContact NH2-O 3.19Å; R468-E477 IonicContact NH2-OE2 2.93Å; S474-E477 PolarHBondContact O-N 2.94Å; E477-E479 PolarHBondContact O-N 3.01Å; E477-K511 IonicContact OE1-NZ 3.66Å; E477-K511 PolarHBondContact OE1-NZ 3.13Å
478V87.4Confident81.2Confident51 Ų5184.7 Ų84.731%0.30951%0.51SS..PPolyproline II helixtrans-60.5129.8177.9-178.90000110A504 V505 T508V478-A504 HydrophobicContact CG2-CB 4.1Å; V478-V505 HydrophobicContact CG1-CG2 4.47Å; V478-T508 WeakPolarHBondContact O-CG2 3.35Å
479E89.1Confident81.5Confident171 Ų17183.1 Ų83.180%0.79951%0.506SS*.PPolyproline II helixtrans-72.1129.2172.2-172.3-179174.900110.3E477E477-E479 PolarHBondContact O-N 3.01Å
480I90.4Very high81.8Confident36 Ų3676.4 Ų76.419%0.18547%0.473CS..  trans-123.1135.7179.1-168.3165.3000110.8M461 Y464 T508 F509 L512M461-I480 WeakPolarHBondContact CE-O 3.31Å; Y464-I480 HydrophobicContact CD1-CG2 4.43Å; Y464-I480 HydrophobicContact CE1-CG2 3.51Å; I480-T508 HydrophobicContact CB-CG2 3.74Å; I480-T508 HydrophobicContact CD1-CG2 4.24Å; I480-T508 HydrophobicContact CG2-CG2 3.52Å; I480-F509 HydrophobicContact CD1-CB 4.43Å; I480-L512 HydrophobicContact CD1-CD1 4.19Å; I480-L512 HydrophobicContact CG1-CD1 4.34Å; I480-L512 HydrophobicContact CG2-CD1 3.98Å
481S90.4Very high81.6Confident103 Ų10371.3 Ų71.372%0.7246%0.456SS*.  trans-125.9124.7166.1-174.30000108.2
482A91.6Very high81.4Confident21 Ų2171.9 Ų71.917%0.17445%0.454CS..  trans-122.6141.3-174.900000111.6M461 L512M461-A482 WeakPolarHBondContact CG-O 3.49Å; M461-A482 HydrophobicContact SD-CB 3.83Å; M461-A482 PolarHBondContact SD-N 3.35Å; M461-A482 VanDerWaalsContact SD-N 3.35Å; A482-L512 HydrophobicContact CB-CD1 3.84Å; A482-L512 HydrophobicContact CB-CD2 4.37Å
483S91.6Very high81.2Confident67 Ų6769.2 Ų69.247%0.46944%0.435SS..  trans-108.3119.4165.3-550000108.4
484I93Very high81.5Confident28 Ų2867.9 Ų67.914%0.14442%0.418CS..  trans-100.1115.6-176-54.7179.8000108.1S457 F460 Y516S457-I484 PolarHBondContact OG-N 3.11Å; S457-I484 PolarHBondContact OG-O 2.99Å; S457-I484 VanDerWaalsContact OG-O 3.04Å; F460-I484 HydrophobicContact CD1-CD1 3.45Å; F460-I484 VanDerWaalsContact CD1-CD1 3.45Å; F460-I484 HydrophobicContact CE1-CD1 3.67Å; F460-I484 HydrophobicContact CG-CD1 4.17Å; I484-Y516 HydrophobicContact CB-CE2 4.36Å; I484-Y516 HydrophobicContact CD1-CD2 3.23Å; I484-Y516 HydrophobicContact CD1-CE2 3.4Å; I484-Y516 VanDerWaalsContact CD1-CE2 3.4Å; I484-Y516 HydrophobicContact CD1-CG 4.11Å; I484-Y516 HydrophobicContact CG1-CE2 4.44Å; I484-Y516 HydrophobicContact CG2-CD2 4.48Å; I484-Y516 HydrophobicContact CG2-CE2 3.72Å
485L92.9Very high82.1Confident45 Ų4570.5 Ų70.524%0.23643%0.433CS..  trans-116.9135.7-164.3-48.1-177.6000110.7L418 T487 W490L418-L485 HydrophobicContact CD1-CD1 4.16Å; L418-L485 HydrophobicContact CD2-CD1 3.97Å; L418-L485 HydrophobicContact CD2-CD2 4.01Å; L485-T487 PolarHBondContact O-N 3.24Å; L485-W490 HydrophobicContact CB-CD2 4.25Å; L485-W490 HydrophobicContact CB-CG 3.99Å; L485-W490 HydrophobicContact CD1-CD2 3.89Å; L485-W490 HydrophobicContact CD1-CE3 4.02Å; L485-W490 HydrophobicContact CD1-CG 4.19Å; L485-W490 HydrophobicContact CD1-CZ3 4.47Å; L485-W490 HydrophobicContact CD2-CD2 4.23Å; L485-W490 HydrophobicContact CD2-CH2 4.15Å; L485-W490 HydrophobicContact CD2-CZ2 3.66Å; L485-W490 HydrophobicContact CG-CD2 4.34Å
486T93.5Very high82.8Confident56 Ų5665.6 Ų65.634%0.34440%0.399SS..  trans-73.6123.1179-62.90000110.6D453 G488 F489D453-T486 PolarHBondContact OD1-OG1 3.22Å; D453-T486 VanDerWaalsContact OD2-CB 3.27Å; D453-T486 WeakPolarHBondContact OD2-CB 3.43Å; D453-T486 PolarHBondContact OD2-N 2.82Å; D453-T486 PolarHBondContact OD2-OG1 3.16Å; T486-G488 PolarHBondContact O-N 2.94Å; T486-F489 HydrophobicContact CG2-CD2 3.88Å; T486-F489 HydrophobicContact CG2-CE2 3.98Å; T486-F489 HydrophobicContact CG2-CG 4.34Å; T486-F489 PolarHBondContact O-N 3.04Å
487T87.2Confident83.6Confident104 Ų10461.5 Ų61.564%0.63837%0.37SS*.THydrogen-bonded Turntrans-63.1120.2178-61.40000109.8L485 N494L485-T487 PolarHBondContact O-N 3.24Å; T487-N494 WeakPolarHBondContact CG2-ND2 3.25Å
488G86.2Confident84.1Confident47 Ų4764.6 Ų64.649%0.48539%0.388SS..THydrogen-bonded Turntrans109.6-19.6-179.300000115.4T486T486-G488 PolarHBondContact O-N 2.94Å
489F90.3Very high84.3Confident59 Ų5963 Ų6326%0.25938%0.379SS..THydrogen-bonded Turntrans-85.9-38.7169.9-66.9-14.2000111.7K446 M450 T486K446-F489 HydrophobicContact CB-CD1 4.25Å; K446-F489 HydrophobicContact CG-CD1 4.01Å; M450-F489 HydrophobicContact CG-CB 4.31Å; T486-F489 HydrophobicContact CG2-CD2 3.88Å; T486-F489 HydrophobicContact CG2-CE2 3.98Å; T486-F489 HydrophobicContact CG2-CG 4.34Å; T486-F489 PolarHBondContact O-N 3.04Å
490W89.9Confident84.5Confident15 Ų1559.4 Ų59.46%0.05736%0.364CS..SBendtrans-91.5149.9-175.3-65.379.1000112.4L417 L418 M450 D453 V454 L485 T492L417-W490 HydrophobicContact CB-CH2 4.1Å; L417-W490 HydrophobicContact CD1-CH2 3.97Å; L418-W490 HydrophobicContact CD1-CE3 4.22Å; L418-W490 HydrophobicContact CD1-CZ3 3.89Å; L418-W490 HydrophobicContact CD2-CH2 4.07Å; L418-W490 HydrophobicContact CD2-CZ3 3.97Å; L418-W490 HydrophobicContact CG-CE3 4.49Å; L418-W490 HydrophobicContact CG-CH2 4.2Å; L418-W490 HydrophobicContact CG-CZ3 3.69Å; M450-W490 HydrophobicContact CB-CD2 4.4Å; M450-W490 HydrophobicContact CB-CH2 4.08Å; M450-W490 HydrophobicContact CB-CZ2 3.59Å; M450-W490 HydrophobicContact CE-CD2 4.1Å; M450-W490 HydrophobicContact CE-CE3 3.67Å; M450-W490 HydrophobicContact CE-CH2 4.15Å; M450-W490 HydrophobicContact CE-CZ3 3.69Å; M450-W490 HydrophobicContact CG-CD2 3.86Å; M450-W490 HydrophobicContact CG-CE3 4.39Å; M450-W490 HydrophobicContact CG-CG 4.21Å; M450-W490 HydrophobicContact CG-CZ2 3.99Å; M450-W490 WeakPolarHBondContact O-CZ2 3.32Å; D453-W490 HydrophobicContact CB-CZ2 4.2Å; D453-W490 PolarHBondContact OD2-NE1 3.4Å; V454-W490 HydrophobicContact CG2-CH2 3.83Å; V454-W490 HydrophobicContact CG2-CZ2 3.97Å; L485-W490 HydrophobicContact CB-CD2 4.25Å; L485-W490 HydrophobicContact CB-CG 3.99Å; L485-W490 HydrophobicContact CD1-CD2 3.89Å; L485-W490 HydrophobicContact CD1-CE3 4.02Å; L485-W490 HydrophobicContact CD1-CG 4.19Å; L485-W490 HydrophobicContact CD1-CZ3 4.47Å; L485-W490 HydrophobicContact CD2-CD2 4.23Å; L485-W490 HydrophobicContact CD2-CH2 4.15Å; L485-W490 HydrophobicContact CD2-CZ2 3.66Å; L485-W490 HydrophobicContact CG-CD2 4.34Å; W490-T492 HydrophobicContact CB-CG2 4.03Å; W490-T492 PolarHBondContact O-N 3.46Å
491P79Confident84.6Confident45 Ų4559.1 Ų59.129%0.29236%0.362SS..  trans-77.971.3173.632.6-32.1000109.7
492T72Confident84.7Confident42 Ų4255.8 Ų55.826%0.25834%0.339SS..  trans-105.6151.6177.353.30000111.5W490 L531W490-T492 HydrophobicContact CB-CG2 4.03Å; W490-T492 PolarHBondContact O-N 3.46Å; T492-L531 HydrophobicContact CG2-CD1 4.31Å
493T65.2Low84.7Confident74 Ų7464.3 Ų64.345%0.45437%0.366SS..  trans-87.1130.9170.343.70000109.5Q528T493-Q528 PolarHBondContact O-NE2 3.47Å
494N65Low84.5Confident99 Ų9964 Ų6453%0.52937%0.368SS..SBendtrans-123.6132.9169.7-83.3-16.8000108T487T487-N494 WeakPolarHBondContact CG2-ND2 3.25Å
495P73.3Confident84.5Confident120 Ų12064.4 Ų64.478%0.77937%0.372SS*.SBendcis-73.5162.73.830.7-34.9000113.9
496S75.2Confident84.4Confident33 Ų3367.1 Ų67.123%0.23138%0.383CS..PPolyproline II helixtrans-63.1133.9174.5-176.40000110L527 Q528S496-L527 PolarHBondContact OG-O 3.07Å; S496-Q528 PolarHBondContact OG-OE1 3.49Å
497P79.8Confident84.2Confident28 Ų2867.6 Ų67.618%0.18239%0.386CS..PPolyproline II helixtrans-64.6138.7179.225.4-32.7000110.9H530 Y567P497-H530 HydrophobicContact CG-CB 4.34Å; P497-H530 WeakPolarHBondContact CG-ND1 3.31Å; P497-Y567 WeakPolarHBondContact CB-OH 3.24Å; P497-Y567 VanDerWaalsContact CG-OH 3.24Å; P497-Y567 WeakPolarHBondContact CG-OH 3.34Å
498N83.8Confident84.4Confident113 Ų11362.9 Ų62.960%0.60436%0.357SS*.PPolyproline II helixtrans-61.4137.4179.5-160.914.5000110.7G591N498-G591 CarbonylContact C-O 3.56Å
499C90.6Very high84.6Confident18 Ų1861.8 Ų61.812%0.12234%0.339CS..  trans-164.8123.3177.1-1740000110I501 P529 Y567 C570 T590C499-I501 PolarHBondContact O-N 3.29Å; C499-P529 HydrophobicContact CB-CB 4.07Å; C499-P529 HydrophobicContact CB-CG 3.99Å; C499-Y567 HydrophobicContact CB-CE1 3.93Å; C499-C570 VanDerWaalsContact SG-SG 3.63Å; C499-T590 CarbonylContact C-O 3.4Å; C499-T590 WeakPolarHBondContact CA-O 3.46Å
500I94.4Very high84.7Confident95 Ų9562.6 Ų62.649%0.48734%0.344SS..  trans-83.4106.5175.7-57.5172.4000107.9T590I500-T590 PolarHBondContact N-O 3.15Å
501I91.7Very high84.7Confident29 Ų2966.8 Ų66.815%0.14936%0.362CS..  trans-86.2141.9-178-61.2177.6000109.6C499 R503 V505 L527 P529 M569C499-I501 PolarHBondContact O-N 3.29Å; I501-R503 PolarHBondContact O-N 3.24Å; I501-V505 HydrophobicContact CG2-CB 3.74Å; I501-V505 HydrophobicContact CG2-CG1 3.82Å; I501-L527 HydrophobicContact CD1-CD2 3.35Å; I501-L527 HydrophobicContact CD1-CG 4.49Å; I501-P529 HydrophobicContact CD1-CG 4.22Å; I501-M569 HydrophobicContact CG2-CE 4.37Å
502P92.5Very high85.4Confident34 Ų3464.8 Ų64.822%0.22135%0.349CS..  trans-54.6135.3174.7-26.534.4000113A504 V505 E506 M569 M573P502-A504 PolarHBondContact O-N 2.8Å; P502-V505 PolarHBondContact O-N 3.35Å; P502-E506 PolarHBondContact O-N 3.2Å; P502-M569 HydrophobicContact CG-CE 3.99Å; P502-M573 HydrophobicContact CG-CB 4.03Å; P502-M573 HydrophobicContact CG-CG 3.95Å
503R90.7Very high86.3Confident200 Ų20065.3 Ų65.376%0.75535%0.347SS*.Hα-helixtrans-49.4-37.1-174.5-173.5175.9178.31680.7114.9I501 E506 T507I501-R503 PolarHBondContact O-N 3.24Å; R503-E506 PolarHBondContact O-N 2.86Å; R503-T507 WeakPolarHBondContact O-CB 3.31Å; R503-T507 PolarHBondContact O-N 2.64Å; R503-T507 PolarHBondContact O-OG1 2.93Å
504A88.7Confident87.6Confident61 Ų6165.2 Ų65.250%0.50435%0.347SS..Hα-helixtrans-62.6-43.1178.600000111.8V478 P502 T508V478-A504 HydrophobicContact CG2-CB 4.1Å; P502-A504 PolarHBondContact O-N 2.8Å; A504-T508 PolarHBondContact O-N 3.09Å; A504-T508 PolarHBondContact O-OG1 2.77Å
505V91.6Very high89Confident36 Ų3662 Ų6222%0.21833%0.33CS..Hα-helixtrans-73.1-41178.7-177.40000110.7V478 I501 P502 T507 T508 F509 M569V478-V505 HydrophobicContact CG1-CG2 4.47Å; I501-V505 HydrophobicContact CG2-CB 3.74Å; I501-V505 HydrophobicContact CG2-CG1 3.82Å; P502-V505 PolarHBondContact O-N 3.35Å; V505-T507 VanDerWaalsContact C-N 3.34Å; V505-T507 PolarHBondContact O-N 2.92Å; V505-T508 PolarHBondContact O-N 3.45Å; V505-F509 PolarHBondContact O-N 2.88Å; V505-M569 HydrophobicContact CG2-CE 4.38Å; V505-M569 HydrophobicContact CG2-SD 3.98Å
506E91.1Very high90Very high102 Ų10257.3 Ų57.348%0.47730%0.296SS..Hα-helixtrans-58.5-45175.8-177.1179-131.700111.7P502 R503 T508 F509 E510P502-E506 PolarHBondContact O-N 3.2Å; R503-E506 PolarHBondContact O-N 2.86Å; E506-T508 VanDerWaalsContact C-N 3.34Å; E506-T508 PolarHBondContact O-N 3.46Å; E506-F509 PolarHBondContact O-N 2.91Å; E506-E510 PolarHBondContact O-N 3.25Å
507T91Very high90.9Very high66 Ų6658.5 Ų58.541%0.40530%0.3SS..Hα-helixtrans-60.4-44.1177.5-56.80000111.3R503 V505 E510 K511R503-T507 WeakPolarHBondContact O-CB 3.31Å; R503-T507 PolarHBondContact O-N 2.64Å; R503-T507 PolarHBondContact O-OG1 2.93Å; V505-T507 VanDerWaalsContact C-N 3.34Å; V505-T507 PolarHBondContact O-N 2.92Å; T507-E510 PolarHBondContact O-N 2.8Å; T507-K511 WeakPolarHBondContact O-CG 3.49Å; T507-K511 PolarHBondContact O-N 2.84Å
508T90.1Very high91.5Very high5 Ų563 Ų633%0.03132%0.323CS..Hα-helixtrans-63.6-41.8176.3-61.60000111.7V478 I480 A504 V505 E506 K511 L512V478-T508 WeakPolarHBondContact O-CG2 3.35Å; I480-T508 HydrophobicContact CB-CG2 3.74Å; I480-T508 HydrophobicContact CD1-CG2 4.24Å; I480-T508 HydrophobicContact CG2-CG2 3.52Å; A504-T508 PolarHBondContact O-N 3.09Å; A504-T508 PolarHBondContact O-OG1 2.77Å; V505-T508 PolarHBondContact O-N 3.45Å; E506-T508 VanDerWaalsContact C-N 3.34Å; E506-T508 PolarHBondContact O-N 3.46Å; T508-K511 PolarHBondContact O-N 3.18Å; T508-L512 PolarHBondContact O-N 3.42Å
509F91.4Very high91.8Very high24 Ų2461.5 Ų61.511%0.10532%0.315CS..Hα-helixtrans-64.5-43.2177.6175.6-106.5000112.4I480 V505 E506 K511 L512 K513 I525 L527I480-F509 HydrophobicContact CD1-CB 4.43Å; V505-F509 PolarHBondContact O-N 2.88Å; E506-F509 PolarHBondContact O-N 2.91Å; F509-K511 VanDerWaalsContact C-N 3.29Å; F509-K511 PolarHBondContact O-N 2.87Å; F509-L512 PolarHBondContact O-N 3.09Å; F509-L512 VanDerWaalsContact O-N 3.14Å; F509-K513 HydrophobicContact CE1-CB 4.46Å; F509-K513 HydrophobicContact CE1-CD 4.06Å; F509-K513 HydrophobicContact CZ-CB 4.45Å; F509-K513 HydrophobicContact CZ-CD 4.47Å; F509-K513 WeakPolarHBondContact O-CB 3.16Å; F509-K513 PolarHBondContact O-N 3.48Å; F509-I525 HydrophobicContact CZ-CG2 4.19Å; F509-L527 HydrophobicContact CD1-CD2 4.23Å; F509-L527 HydrophobicContact CD2-CD1 4.13Å; F509-L527 HydrophobicContact CD2-CD2 4.29Å; F509-L527 HydrophobicContact CE1-CB 4.02Å; F509-L527 HydrophobicContact CE1-CD2 4.34Å; F509-L527 HydrophobicContact CE2-CB 4.19Å; F509-L527 HydrophobicContact CE2-CD1 3.82Å; F509-L527 HydrophobicContact CE2-CD2 4.41Å; F509-L527 HydrophobicContact CE2-CG 4.37Å; F509-L527 HydrophobicContact CG-CD2 4.2Å; F509-L527 HydrophobicContact CZ-CB 3.73Å; F509-L527 HydrophobicContact CZ-CD1 4.27Å; F509-L527 HydrophobicContact CZ-CD2 4.44Å; F509-L527 HydrophobicContact CZ-CG 4.37Å
510E91.6Very high91.9Very high76 Ų7663.5 Ų63.536%0.35532%0.322SS..Hα-helixtrans-64.1-33.3178.8-73.5-61.3135.300112.3E506 T507 K513 T514E506-E510 PolarHBondContact O-N 3.25Å; T507-E510 PolarHBondContact O-N 2.8Å; E510-K513 VanDerWaalsContact CD-NZ 3.35Å; E510-K513 WeakPolarHBondContact OE1-CD 3.42Å; E510-K513 IonicContact OE1-NZ 3.55Å; E510-K513 PolarHBondContact OE1-NZ 3.22Å; E510-K513 WeakPolarHBondContact OE2-CD 3.28Å; E510-K513 IonicContact OE2-NZ 3.67Å; E510-K513 PolarHBondContact OE2-NZ 2.75Å; E510-T514 WeakPolarHBondContact O-CB 3.36Å; E510-T514 PolarHBondContact O-N 3.41Å; E510-T514 PolarHBondContact O-OG1 3.11Å
511K90.5Very high91.7Very high103 Ų10364.3 Ų64.345%0.44834%0.336SS..Hα-helixtrans-62.2-48.1170.5-69.5-179.4-175.5-172.90111.8E477 T507 T508 F509 T514 L515E477-K511 IonicContact OE1-NZ 3.66Å; E477-K511 PolarHBondContact OE1-NZ 3.13Å; T507-K511 WeakPolarHBondContact O-CG 3.49Å; T507-K511 PolarHBondContact O-N 2.84Å; T508-K511 PolarHBondContact O-N 3.18Å; F509-K511 VanDerWaalsContact C-N 3.29Å; F509-K511 PolarHBondContact O-N 2.87Å; K511-T514 PolarHBondContact O-N 3.32Å; K511-L515 PolarHBondContact O-N 2.88Å
512L92.2Very high91.6Very high3 Ų367.4 Ų67.42%0.01638%0.375CS..Hα-helixtrans-61.6-45.1177.9-177.5150.8000111.5F460 M461 Y464 I480 A482 T508 F509 L515 Y516F460-L512 HydrophobicContact CE1-CD2 4.16Å; F460-L512 HydrophobicContact CE1-CG 4.18Å; M461-L512 HydrophobicContact CE-CD1 4.35Å; M461-L512 HydrophobicContact SD-CD1 3.93Å; Y464-L512 HydrophobicContact CD1-CD1 4.36Å; Y464-L512 HydrophobicContact CD2-CB 4.18Å; Y464-L512 HydrophobicContact CD2-CD1 4.43Å; Y464-L512 HydrophobicContact CD2-CG 4.17Å; Y464-L512 HydrophobicContact CE1-CD1 4.35Å; Y464-L512 HydrophobicContact CE2-CB 3.7Å; Y464-L512 HydrophobicContact CE2-CD1 4.44Å; Y464-L512 HydrophobicContact CE2-CG 4.18Å; Y464-L512 HydrophobicContact CG-CD1 4.4Å; I480-L512 HydrophobicContact CD1-CD1 4.19Å; I480-L512 HydrophobicContact CG1-CD1 4.34Å; I480-L512 HydrophobicContact CG2-CD1 3.98Å; A482-L512 HydrophobicContact CB-CD1 3.84Å; A482-L512 HydrophobicContact CB-CD2 4.37Å; T508-L512 PolarHBondContact O-N 3.42Å; F509-L512 PolarHBondContact O-N 3.09Å; F509-L512 VanDerWaalsContact O-N 3.14Å; L512-L515 PolarHBondContact O-N 3.38Å; L512-Y516 PolarHBondContact O-N 3.41Å
513K92.8Very high91.6Very high52 Ų5272.6 Ų72.623%0.22639%0.39CS..Hα-helixtrans-61.2-45.2177.6-179.9-169.2176-1650111.5F509 E510 L515 Y516 L517 I525F509-K513 HydrophobicContact CE1-CB 4.46Å; F509-K513 HydrophobicContact CE1-CD 4.06Å; F509-K513 HydrophobicContact CZ-CB 4.45Å; F509-K513 HydrophobicContact CZ-CD 4.47Å; F509-K513 WeakPolarHBondContact O-CB 3.16Å; F509-K513 PolarHBondContact O-N 3.48Å; E510-K513 VanDerWaalsContact CD-NZ 3.35Å; E510-K513 WeakPolarHBondContact OE1-CD 3.42Å; E510-K513 IonicContact OE1-NZ 3.55Å; E510-K513 PolarHBondContact OE1-NZ 3.22Å; E510-K513 WeakPolarHBondContact OE2-CD 3.28Å; E510-K513 IonicContact OE2-NZ 3.67Å; E510-K513 PolarHBondContact OE2-NZ 2.75Å; K513-L515 PolarHBondContact O-N 2.93Å; K513-Y516 PolarHBondContact O-N 3.24Å; K513-L517 HydrophobicContact CG-CD1 4.03Å; K513-L517 HydrophobicContact CG-CG 4.44Å; K513-L517 VanDerWaalsContact O-CG 3.31Å; K513-L517 WeakPolarHBondContact O-CG 3.35Å; K513-L517 PolarHBondContact O-N 2.99Å; K513-I525 HydrophobicContact CG-CD1 4.31Å
514T92.5Very high91.6Very high72 Ų7268.2 Ų68.244%0.44239%0.391SS..Hα-helixtrans-59.8-47177-58.30000110.9E510 K511 Y516 L517 N518E510-T514 WeakPolarHBondContact O-CB 3.36Å; E510-T514 PolarHBondContact O-N 3.41Å; E510-T514 PolarHBondContact O-OG1 3.11Å; K511-T514 PolarHBondContact O-N 3.32Å; T514-Y516 VanDerWaalsContact C-N 3.31Å; T514-Y516 PolarHBondContact O-N 2.92Å; T514-L517 PolarHBondContact O-N 3.42Å; T514-N518 PolarHBondContact O-N 3.25Å; T514-N518 PolarHBondContact O-ND2 3.04Å
515L92.6Very high91.6Very high32 Ų3267 Ų6717%0.16838%0.376CS..Hα-helixtrans-59.2-43.2175.8-17667.1000111.6F460 Y464 E467 K511 L512 K513 N518 N519F460-L515 HydrophobicContact CE2-CD2 4.49Å; F460-L515 HydrophobicContact CE2-CG 4.41Å; F460-L515 HydrophobicContact CZ-CB 4.48Å; F460-L515 HydrophobicContact CZ-CD2 4.28Å; F460-L515 HydrophobicContact CZ-CG 4.31Å; Y464-L515 HydrophobicContact CD2-CD2 3.66Å; Y464-L515 HydrophobicContact CG-CD2 4.34Å; E467-L515 HydrophobicContact CB-CD2 4.4Å; E467-L515 HydrophobicContact CG-CD1 4.41Å; K511-L515 PolarHBondContact O-N 2.88Å; L512-L515 PolarHBondContact O-N 3.38Å; K513-L515 PolarHBondContact O-N 2.93Å; L515-N518 PolarHBondContact O-N 3.49Å; L515-N519 PolarHBondContact O-N 2.91Å
516Y94.2Very high91.5Very high21 Ų2169.6 Ų69.68%0.08239%0.391CS..Hα-helixtrans-63.8-45179.2-175.5-87.1000112.5F460 I484 L512 K513 T514 N518 N519 H520 R523 I525F460-Y516 HydrophobicContact CD1-CD2 4.23Å; F460-Y516 HydrophobicContact CD2-CD2 4Å; F460-Y516 AromaticContact CE1-CD2 4Å; F460-Y516 HydrophobicContact CE1-CD2 4Å; F460-Y516 AromaticContact CE2-CD2 3.77Å; F460-Y516 HydrophobicContact CE2-CD2 3.77Å; F460-Y516 HydrophobicContact CE2-CG 4.33Å; F460-Y516 HydrophobicContact CG-CD2 4.23Å; F460-Y516 AromaticContact CZ-CD2 3.77Å; F460-Y516 HydrophobicContact CZ-CD2 3.77Å; F460-Y516 HydrophobicContact CZ-CG 4.16Å; I484-Y516 HydrophobicContact CB-CE2 4.36Å; I484-Y516 HydrophobicContact CD1-CD2 3.23Å; I484-Y516 HydrophobicContact CD1-CE2 3.4Å; I484-Y516 VanDerWaalsContact CD1-CE2 3.4Å; I484-Y516 HydrophobicContact CD1-CG 4.11Å; I484-Y516 HydrophobicContact CG1-CE2 4.44Å; I484-Y516 HydrophobicContact CG2-CD2 4.48Å; I484-Y516 HydrophobicContact CG2-CE2 3.72Å; L512-Y516 PolarHBondContact O-N 3.41Å; K513-Y516 PolarHBondContact O-N 3.24Å; T514-Y516 VanDerWaalsContact C-N 3.31Å; T514-Y516 PolarHBondContact O-N 2.92Å; Y516-N518 VanDerWaalsContact C-N 3.32Å; Y516-N519 PolarHBondContact O-N 3.45Å; Y516-H520 HydrophobicContact CD1-CB 4.25Å; Y516-H520 AromaticContact CD1-ND1 3.69Å; Y516-H520 AromaticContact CD2-CE1 3.69Å; Y516-H520 AromaticContact CD2-ND1 3.33Å; Y516-H520 VanDerWaalsContact CD2-ND1 3.33Å; Y516-H520 WeakPolarHBondContact CD2-ND1 3.31Å; Y516-H520 HydrophobicContact CE1-CB 3.91Å; Y516-H520 AromaticContact CE1-ND1 3.58Å; Y516-H520 AromaticContact CE2-CE1 3.41Å; Y516-H520 VanDerWaalsContact CE2-CE1 3.41Å; Y516-H520 WeakPolarHBondContact CE2-CE1 3.34Å; Y516-H520 AromaticContact CE2-ND1 3.17Å; Y516-H520 WeakPolarHBondContact CE2-ND1 3.41Å; Y516-H520 AromaticContact CG-ND1 3.63Å; Y516-H520 AromaticContact CZ-CE1 3.91Å; Y516-H520 AromaticContact CZ-CG 3.93Å; Y516-H520 AromaticContact CZ-ND1 3.33Å; Y516-H520 VanDerWaalsContact CZ-ND1 3.33Å; Y516-H520 WeakPolarHBondContact O-CB 3.35Å; Y516-H520 PolarHBondContact O-N 3.47Å; Y516-H520 PolarHBondContact O-ND1 2.94Å; Y516-H520 VanDerWaalsContact O-ND1 3.14Å; Y516-R523 HydrophobicContact CE1-CB 4.39Å; Y516-R523 PolarHBondContact OH-NH1 3.3Å; Y516-I525 HydrophobicContact CD1-CD1 3.06Å; Y516-I525 HydrophobicContact CD1-CG1 3.7Å; Y516-I525 HydrophobicContact CD2-CD1 4.33Å; Y516-I525 HydrophobicContact CE1-CD1 3.72Å; Y516-I525 HydrophobicContact CE1-CG1 3.87Å; Y516-I525 HydrophobicContact CG-CD1 3.39Å; Y516-I525 HydrophobicContact CG-CG1 4.42Å
517L94.1Very high91.4Very high59 Ų5968 Ų6831%0.30939%0.385SS..Hα-helixtrans-68.8-32.1-178-67.4177.8000112.2K513 T514 N519 H520 R523 I525K513-L517 HydrophobicContact CG-CD1 4.03Å; K513-L517 HydrophobicContact CG-CG 4.44Å; K513-L517 VanDerWaalsContact O-CG 3.31Å; K513-L517 WeakPolarHBondContact O-CG 3.35Å; K513-L517 PolarHBondContact O-N 2.99Å; T514-L517 PolarHBondContact O-N 3.42Å; L517-N519 VanDerWaalsContact C-N 3.32Å; L517-H520 CarbonylContact O-C 3.41Å; L517-H520 PolarHBondContact O-N 3.15Å; L517-R523 WeakPolarHBondContact CD2-O 3.37Å; L517-I525 HydrophobicContact CD2-CD1 4.46Å; L517-I525 HydrophobicContact CD2-CG1 4.44Å
518N92.7Very high91.3Very high123 Ų12366.3 Ų66.366%0.65837%0.373SS*.Hα-helixtrans-64.8-37.1172.5-70.7-11.2000111.9T514 L515 Y516T514-N518 PolarHBondContact O-N 3.25Å; T514-N518 PolarHBondContact O-ND2 3.04Å; L515-N518 PolarHBondContact O-N 3.49Å; Y516-N518 VanDerWaalsContact C-N 3.32Å
519N91.5Very high91.2Very high81 Ų8166.5 Ų66.543%0.43337%0.374SS..Hα-helixtrans-84.1-18.9179-67.5-15.5000113.4L463 L515 Y516 L517L463-N519 WeakPolarHBondContact CD2-ND2 3.45Å; L515-N519 PolarHBondContact O-N 2.91Å; Y516-N519 PolarHBondContact O-N 3.45Å; L517-N519 VanDerWaalsContact C-N 3.32Å
520H91.9Very high90.9Very high59 Ų5968.2 Ų68.227%0.27338%0.383SS..SBendtrans-134.382.8-176.1-53.2111.2000111.4Y516 L517 R523Y516-H520 HydrophobicContact CD1-CB 4.25Å; Y516-H520 AromaticContact CD1-ND1 3.69Å; Y516-H520 AromaticContact CD2-CE1 3.69Å; Y516-H520 AromaticContact CD2-ND1 3.33Å; Y516-H520 VanDerWaalsContact CD2-ND1 3.33Å; Y516-H520 WeakPolarHBondContact CD2-ND1 3.31Å; Y516-H520 HydrophobicContact CE1-CB 3.91Å; Y516-H520 AromaticContact CE1-ND1 3.58Å; Y516-H520 AromaticContact CE2-CE1 3.41Å; Y516-H520 VanDerWaalsContact CE2-CE1 3.41Å; Y516-H520 WeakPolarHBondContact CE2-CE1 3.34Å; Y516-H520 AromaticContact CE2-ND1 3.17Å; Y516-H520 WeakPolarHBondContact CE2-ND1 3.41Å; Y516-H520 AromaticContact CG-ND1 3.63Å; Y516-H520 AromaticContact CZ-CE1 3.91Å; Y516-H520 AromaticContact CZ-CG 3.93Å; Y516-H520 AromaticContact CZ-ND1 3.33Å; Y516-H520 VanDerWaalsContact CZ-ND1 3.33Å; Y516-H520 WeakPolarHBondContact O-CB 3.35Å; Y516-H520 PolarHBondContact O-N 3.47Å; Y516-H520 PolarHBondContact O-ND1 2.94Å; Y516-H520 VanDerWaalsContact O-ND1 3.14Å; L517-H520 CarbonylContact O-C 3.41Å; L517-H520 PolarHBondContact O-N 3.15Å; H520-R523 HydrophobicContact CB-CG 4.21Å
521S90Very high90.6Very high113 Ų11368.8 Ų68.879%0.7939%0.388SS*.THydrogen-bonded Turntrans-61.7146.8178.557.70000112.6R523S521-R523 VanDerWaalsContact C-N 3.27Å; S521-R523 PolarHBondContact O-N 3.3Å
522G90.7Very high90.5Very high94 Ų9465 Ų6597%0.96938%0.378SS*.THydrogen-bonded Turntrans75.26.7178.100000115.5
523R91.4Very high90.5Very high142 Ų14270.3 Ų70.354%0.53641%0.411SS..  trans-99.2156.9176.8-59.6-163.6-178-172.9-3.2112Y516 L517 H520 S521Y516-R523 HydrophobicContact CE1-CB 4.39Å; Y516-R523 PolarHBondContact OH-NH1 3.3Å; L517-R523 WeakPolarHBondContact CD2-O 3.37Å; H520-R523 HydrophobicContact CB-CG 4.21Å; S521-R523 VanDerWaalsContact C-N 3.27Å; S521-R523 PolarHBondContact O-N 3.3Å
524S90.1Very high90.6Very high109 Ų10969.6 Ų69.676%0.76241%0.411SS*.  trans-120.9144.7165.962.10000109.5
525I90Very high90.7Very high36 Ų3670 Ų7019%0.18541%0.41CS..  trans-117.1131.8175-61.2168.3000108.3F509 K513 Y516 L517F509-I525 HydrophobicContact CZ-CG2 4.19Å; K513-I525 HydrophobicContact CG-CD1 4.31Å; Y516-I525 HydrophobicContact CD1-CD1 3.06Å; Y516-I525 HydrophobicContact CD1-CG1 3.7Å; Y516-I525 HydrophobicContact CD2-CD1 4.33Å; Y516-I525 HydrophobicContact CE1-CD1 3.72Å; Y516-I525 HydrophobicContact CE1-CG1 3.87Å; Y516-I525 HydrophobicContact CG-CD1 3.39Å; Y516-I525 HydrophobicContact CG-CG1 4.42Å; L517-I525 HydrophobicContact CD2-CD1 4.46Å; L517-I525 HydrophobicContact CD2-CG1 4.44Å
526T88.4Confident90.8Very high89 Ų8969.3 Ų69.355%0.54641%0.406SS..  trans-118.4127171.6-56.60000108.9
527L89Confident90.8Very high68 Ų6872.8 Ų72.836%0.35643%0.427SS..  trans-73.7143.4175.1-173.659.2000110.1S496 I501 F509 P529S496-L527 PolarHBondContact OG-O 3.07Å; I501-L527 HydrophobicContact CD1-CD2 3.35Å; I501-L527 HydrophobicContact CD1-CG 4.49Å; F509-L527 HydrophobicContact CD1-CD2 4.23Å; F509-L527 HydrophobicContact CD2-CD1 4.13Å; F509-L527 HydrophobicContact CD2-CD2 4.29Å; F509-L527 HydrophobicContact CE1-CB 4.02Å; F509-L527 HydrophobicContact CE1-CD2 4.34Å; F509-L527 HydrophobicContact CE2-CB 4.19Å; F509-L527 HydrophobicContact CE2-CD1 3.82Å; F509-L527 HydrophobicContact CE2-CD2 4.41Å; F509-L527 HydrophobicContact CE2-CG 4.37Å; F509-L527 HydrophobicContact CG-CD2 4.2Å; F509-L527 HydrophobicContact CZ-CB 3.73Å; F509-L527 HydrophobicContact CZ-CD1 4.27Å; F509-L527 HydrophobicContact CZ-CD2 4.44Å; F509-L527 HydrophobicContact CZ-CG 4.37Å; L527-P529 WeakPolarHBondContact O-CD 3.31Å
528Q89.6Confident90.8Very high32 Ų3270.6 Ų70.615%0.1542%0.417CS..  trans-116.484.5177.4-68.6-67.5-10.600109.9T493 S496 H530 L531T493-Q528 PolarHBondContact O-NE2 3.47Å; S496-Q528 PolarHBondContact OG-OE1 3.49Å; Q528-H530 VanDerWaalsContact C-N 3.27Å; Q528-H530 PolarHBondContact O-N 3.15Å; Q528-H530 PolarHBondContact OE1-CE1 2.76Å; Q528-H530 PolarHBondContact OE1-ND1 2.61Å; Q528-L531 HydrophobicContact CB-CD1 4.03Å; Q528-L531 HydrophobicContact CB-CG 4.31Å; Q528-L531 PolarHBondContact O-N 2.87Å
529P89Confident90.8Very high8 Ų870 Ų705%0.05241%0.406CS..G310 helixtrans-59.9-37-169.9-24.634.8000112.8C499 I501 L527 L531 G532 T566 Y567C499-P529 HydrophobicContact CB-CB 4.07Å; C499-P529 HydrophobicContact CB-CG 3.99Å; I501-P529 HydrophobicContact CD1-CG 4.22Å; L527-P529 WeakPolarHBondContact O-CD 3.31Å; P529-L531 PolarHBondContact O-N 3.38Å; P529-L531 VanDerWaalsContact O-N 3.12Å; P529-G532 PolarHBondContact O-N 2.69Å; P529-G532 VanDerWaalsContact O-N 3.1Å; P529-T566 HydrophobicContact CB-CG2 4.03Å; P529-T566 WeakPolarHBondContact O-CB 3.12Å; P529-T566 PolarHBondContact O-OG1 2.91Å; P529-Y567 HydrophobicContact CB-CE1 4.03Å
530H84.9Confident90.7Very high60 Ų6066.4 Ų66.428%0.27839%0.387SS..G310 helixtrans-63.6-17.6-177.670.2-85.5000114.7P497 Q528 Y567P497-H530 HydrophobicContact CG-CB 4.34Å; P497-H530 WeakPolarHBondContact CG-ND1 3.31Å; Q528-H530 VanDerWaalsContact C-N 3.27Å; Q528-H530 PolarHBondContact O-N 3.15Å; Q528-H530 PolarHBondContact OE1-CE1 2.76Å; Q528-H530 PolarHBondContact OE1-ND1 2.61Å; H530-Y567 HydrophobicContact CB-CE2 3.71Å
531L85.1Confident90.5Very high88 Ų8870 Ų7046%0.46140%0.399SS..G310 helixtrans-95.3-8.7178.6-59.5179.9000113.3T492 Q528 P529T492-L531 HydrophobicContact CG2-CD1 4.31Å; Q528-L531 HydrophobicContact CB-CD1 4.03Å; Q528-L531 HydrophobicContact CB-CG 4.31Å; Q528-L531 PolarHBondContact O-N 2.87Å; P529-L531 PolarHBondContact O-N 3.38Å; P529-L531 VanDerWaalsContact O-N 3.12Å
532G88.7Confident89.7Confident25 Ų2565 Ų6526%0.25836%0.364SS..  trans-86.1157-174.200000114.3P529 T566P529-G532 PolarHBondContact O-N 2.69Å; P529-G532 VanDerWaalsContact O-N 3.1Å; G532-T566 VanDerWaalsContact C-OG1 3.28Å; G532-T566 VanDerWaalsContact CA-OG1 3.31Å; G532-T566 WeakPolarHBondContact CA-OG1 3.41Å; G532-T566 PolarHBondContact O-N 2.98Å; G532-T566 VanDerWaalsContact O-N 3.09Å; G532-T566 PolarHBondContact O-OG1 3.46Å
533T91.6Very high88.7Confident114 Ų11469.6 Ų69.670%0.69935%0.352SS*.EExtended strand (participates in β ladder)trans-128.9147.7171.457.20000110.2V564T533-V564 CarbonylContact C-O 3.51Å; T533-V564 VanDerWaalsContact CA-O 3.28Å; T533-V564 WeakPolarHBondContact CA-O 3.29Å
534V93.9Very high87.4Confident36 Ų3665.3 Ų65.322%0.21835%0.351CS..EExtended strand (participates in β ladder)trans-137.1141.6-176.6-174.30000109.9I536 V564 M569V534-I536 HydrophobicContact CG1-CG1 4.16Å; V534-V564 HydrophobicContact CB-CG2 4.47Å; V534-V564 PolarHBondContact N-O 2.88Å; V534-V564 WeakPolarHBondContact O-CG2 3.43Å; V534-V564 PolarHBondContact O-N 3.36Å; V534-M569 HydrophobicContact CB-CB 4.26Å; V534-M569 HydrophobicContact CB-CG 4.43Å; V534-M569 HydrophobicContact CB-SD 4.11Å; V534-M569 HydrophobicContact CG1-CG 4.22Å; V534-M569 HydrophobicContact CG1-SD 3.74Å; V534-M569 HydrophobicContact CG2-CB 4.32Å; V534-M569 HydrophobicContact CG2-CE 4.46Å; V534-M569 HydrophobicContact CG2-SD 3.77Å
535D95Very high85.7Confident81 Ų8167.7 Ų67.743%0.43336%0.356SS..EExtended strand (participates in β ladder)trans-97.1122.1167.9-69.6-58.8000110.1I561 L562 C563 R645D535-I561 HydrophobicContact CB-CG2 3.9Å; D535-L562 WeakPolarHBondContact CA-O 3.32Å; D535-C563 PolarHBondContact OD1-SG 3Å; D535-R645 IonicContact OD1-CZ 2.84Å; D535-R645 IonicContact OD1-NE 2.61Å; D535-R645 IonicContact OD1-NH2 2.99Å; D535-R645 PolarHBondContact OD1-NH2 2.75Å; D535-R645 IonicContact OD2-CZ 3.06Å; D535-R645 IonicContact OD2-NH2 3.92Å; D535-R645 PolarHBondContact OD2-NH2 3.39Å
536I95.1Very high84Confident17 Ų1770.1 Ų70.19%0.08737%0.369CS..EExtended strand (participates in β ladder)trans-113.6128-179.6-57.4169.9000109.2V534 A538 I561 L562 V564 M569 L572 M573V534-I536 HydrophobicContact CG1-CG1 4.16Å; I536-A538 PolarHBondContact O-N 3.02Å; I536-I561 CarbonylContact O-C 3.54Å; I536-I561 WeakPolarHBondContact O-CA 3.37Å; I536-L562 PolarHBondContact N-O 2.66Å; I536-L562 PolarHBondContact O-N 3.22Å; I536-V564 HydrophobicContact CD1-CG2 3.46Å; I536-V564 VanDerWaalsContact CD1-CG2 3.46Å; I536-V564 HydrophobicContact CG1-CG2 4.03Å; I536-M569 HydrophobicContact CD1-CB 3.79Å; I536-M569 HydrophobicContact CD1-CG 3.75Å; I536-M569 HydrophobicContact CG1-CG 4.26Å; I536-L572 HydrophobicContact CD1-CB 4.49Å; I536-L572 HydrophobicContact CD1-CD1 4.12Å; I536-M573 HydrophobicContact CD1-CE 4.03Å; I536-M573 HydrophobicContact CG1-CE 4.37Å; I536-M573 HydrophobicContact CG2-CE 3.5Å
537N94.3Very high82.4Confident95 Ų9568.9 Ų68.951%0.50836%0.357SS..EExtended strand (participates in β ladder)trans-73.4108.1165.5-70.1-51.3000109Y539N537-Y539 HydrophobicContact CB-CE2 4.09Å
538A94.2Very high80.7Confident13 Ų1371.4 Ų71.411%0.10737%0.365CS..EExtended strand (participates in β ladder)trans-103.8136.3179.400000110.9I536 F540 K559 H560 L562I536-A538 PolarHBondContact O-N 3.02Å; A538-F540 HydrophobicContact CB-CD2 4.43Å; A538-F540 HydrophobicContact CB-CE2 3.64Å; A538-F540 HydrophobicContact CB-CZ 3.99Å; A538-K559 WeakPolarHBondContact O-CA 3.48Å; A538-H560 PolarHBondContact N-O 3.31Å; A538-H560 PolarHBondContact O-N 2.97Å; A538-L562 HydrophobicContact CB-CD1 3.63Å; A538-L562 HydrophobicContact CB-CG 3.73Å
539Y92.5Very high79.3Confident110 Ų11073.3 Ų73.343%0.43138%0.377SS..EExtended strand (participates in β ladder)trans-122.1116.4179.4-63.7-90.2000107.9N537 K559N537-Y539 HydrophobicContact CB-CE2 4.09Å; Y539-K559 HydrophobicContact CD1-CB 4.44Å; Y539-K559 HydrophobicContact CD1-CG 4.26Å; Y539-K559 HydrophobicContact CE1-CB 4.44Å; Y539-K559 HydrophobicContact CE1-CD 3.78Å; Y539-K559 HydrophobicContact CE1-CG 3.91Å; Y539-K559 WeakPolarHBondContact OH-CE 3.32Å; Y539-K559 PolarHBondContact OH-NZ 3.37Å
540F90.5Very high77.8Confident5 Ų578.5 Ų78.52%0.02242%0.42CS..EExtended strand (participates in β ladder)trans-107.9131.7-179.8-60.5-86.6000109.9A538 P542 C557 Q558 H560 L562 V613 V635 N636 F639A538-F540 HydrophobicContact CB-CD2 4.43Å; A538-F540 HydrophobicContact CB-CE2 3.64Å; A538-F540 HydrophobicContact CB-CZ 3.99Å; F540-P542 VanDerWaalsContact O-CD 3.28Å; F540-P542 WeakPolarHBondContact O-CD 3.45Å; F540-C557 WeakPolarHBondContact O-CA 3.47Å; F540-Q558 HydrophobicContact CB-CB 4.39Å; F540-Q558 PolarHBondContact N-O 2.93Å; F540-Q558 PolarHBondContact O-N 3.48Å; F540-H560 HydrophobicContact CE2-CB 4.48Å; F540-L562 HydrophobicContact CZ-CD1 4.3Å; F540-V613 HydrophobicContact CE1-CG1 4.23Å; F540-V613 HydrophobicContact CZ-CG1 4.12Å; F540-V635 HydrophobicContact CD1-CG1 4.08Å; F540-V635 HydrophobicContact CE1-CG1 4.09Å; F540-N636 WeakPolarHBondContact CD1-O 3.38Å; F540-F639 HydrophobicContact CD1-CB 3.86Å; F540-F639 AromaticContact CD2-CD1 3.98Å; F540-F639 HydrophobicContact CD2-CD1 3.98Å; F540-F639 HydrophobicContact CE1-CB 3.75Å; F540-F639 HydrophobicContact CE1-CD1 4.1Å; F540-F639 HydrophobicContact CE1-CG 4.09Å; F540-F639 AromaticContact CE2-CD1 3.47Å; F540-F639 HydrophobicContact CE2-CD1 3.47Å; F540-F639 VanDerWaalsContact CE2-CD1 3.47Å; F540-F639 HydrophobicContact CE2-CE1 4.03Å; F540-F639 HydrophobicContact CE2-CG 4.28Å; F540-F639 HydrophobicContact CG-CB 4.3Å; F540-F639 HydrophobicContact CG-CD1 4.47Å; F540-F639 HydrophobicContact CZ-CB 4.1Å; F540-F639 AromaticContact CZ-CD1 3.53Å; F540-F639 HydrophobicContact CZ-CD1 3.53Å; F540-F639 HydrophobicContact CZ-CE1 4.17Å; F540-F639 AromaticContact CZ-CG 3.93Å; F540-F639 HydrophobicContact CZ-CG 3.93Å
541Y86.1Confident76.6Confident134 Ų13480.8 Ų80.853%0.52544%0.439SS..  trans-117.181.4-175-60.9-87.3000109.4R543 C557 D637Y541-R543 PolarHBondContact O-N 3.04Å; Y541-C557 HydrophobicContact CD1-CB 3.99Å; Y541-C557 HydrophobicContact CE1-CB 3.77Å; Y541-C557 VanDerWaalsContact CE1-SG 3.59Å; Y541-D637 PolarHBondContact N-OD1 3.31Å; Y541-D637 WeakPolarHBondContact O-CB 3.45Å
542P74Confident75.5Confident8 Ų879 Ų795%0.05244%0.441CS..  trans-53.2136-178.916.8-27.7000110.7F540 D546 H547 V555F540-P542 VanDerWaalsContact O-CD 3.28Å; F540-P542 WeakPolarHBondContact O-CD 3.45Å; P542-D546 HydrophobicContact CB-CB 3.87Å; P542-H547 PolarHBondContact O-CE1 3.37Å; P542-H547 PolarHBondContact O-ND1 2.95Å; P542-H547 VanDerWaalsContact O-ND1 3.14Å; P542-H547 PolarHBondContact O-NE2 3.5Å; P542-H547 VanDerWaalsContact O-NE2 3.13Å; P542-V555 HydrophobicContact CG-CB 4.29Å; P542-V555 HydrophobicContact CG-CG1 3.63Å
543R68.9Low74Confident192 Ų19280.8 Ų80.873%0.72545%0.45SS*.  trans-115.1149-177.8-67.3-177.5177175.3-0.3110.9Y541Y541-R543 PolarHBondContact O-N 3.04Å
544G64.2Low72.4Confident51 Ų5182.6 Ų82.653%0.52645%0.45SS..G310 helixtrans87.2-144.5176.700000113.6D546 H547G544-D546 PolarHBondContact O-N 2.83Å; G544-D546 VanDerWaalsContact O-N 3.14Å; G544-H547 PolarHBondContact N-CD2 2.75Å; G544-H547 VanDerWaalsContact O-CB 3.28Å; G544-H547 WeakPolarHBondContact O-CB 3.36Å; G544-H547 PolarHBondContact O-N 3.15Å
545N54.6Low70.8Confident160 Ų16082.6 Ų82.686%0.85645%0.45SS*.G310 helixtrans-62.6-16.9179.2-76.1-1.3000113.4H547 F548N545-H547 PolarHBondContact O-N 3.49Å; N545-F548 PolarHBondContact O-N 2.97Å
546D54.9Low69.5Low87 Ų8787 Ų8747%0.46547%0.468SS..G310 helixtrans-72.6-5.9171.9-68.3-12000112.8P542 G544 F548 V555 S638P542-D546 HydrophobicContact CB-CB 3.87Å; G544-D546 PolarHBondContact O-N 2.83Å; G544-D546 VanDerWaalsContact O-N 3.14Å; D546-F548 PolarHBondContact O-N 3.42Å; D546-V555 VanDerWaalsContact O-CB 3.31Å; D546-V555 WeakPolarHBondContact O-CB 3.45Å; D546-V555 WeakPolarHBondContact O-CG2 3.42Å; D546-S638 PolarHBondContact OD2-OG 3.34Å
547H54.2Low68.7Low62 Ų6288.2 Ų88.229%0.28748%0.478SS..G310 helixtrans-74-9.8172-90.9-59000113.3P542 G544 N545 Q554 V555P542-H547 PolarHBondContact O-CE1 3.37Å; P542-H547 PolarHBondContact O-ND1 2.95Å; P542-H547 VanDerWaalsContact O-ND1 3.14Å; P542-H547 PolarHBondContact O-NE2 3.5Å; P542-H547 VanDerWaalsContact O-NE2 3.13Å; G544-H547 PolarHBondContact N-CD2 2.75Å; G544-H547 VanDerWaalsContact O-CB 3.28Å; G544-H547 WeakPolarHBondContact O-CB 3.36Å; G544-H547 PolarHBondContact O-N 3.15Å; N545-H547 PolarHBondContact O-N 3.49Å; H547-Q554 CarbonylContact O-C 3.55Å; H547-Q554 WeakPolarHBondContact O-CA 3.37Å; H547-V555 PolarHBondContact O-N 2.94Å
548F53.5Low68.2Low121 Ų12186.6 Ų86.653%0.53147%0.467SS..BIsolated β-bridgetrans-125.5126179.5-68.6-75.6000109.2N545 D546 G552 S553N545-F548 PolarHBondContact O-N 2.97Å; D546-F548 PolarHBondContact O-N 3.42Å; F548-G552 VanDerWaalsContact CD1-C 3.48Å; F548-G552 WeakPolarHBondContact CD1-O 3.38Å; F548-S553 VanDerWaalsContact CA-O 3.3Å; F548-S553 WeakPolarHBondContact CA-O 3.37Å
549D60.2Low68.1Low73 Ų7390.6 Ų90.639%0.3948%0.482SS..  trans-66.9176.7171.169.56000110.4T551 G552 S553 V555D549-T551 PolarHBondContact O-N 2.84Å; D549-T551 VanDerWaalsContact OD1-CA 3.3Å; D549-T551 WeakPolarHBondContact OD1-CA 3.45Å; D549-T551 WeakPolarHBondContact OD1-CB 3.37Å; D549-T551 PolarHBondContact OD1-N 2.74Å; D549-T551 PolarHBondContact OD1-OG1 3.15Å; D549-T551 PolarHBondContact OD2-OG1 2.92Å; D549-G552 PolarHBondContact O-N 2.78Å; D549-G552 PolarHBondContact OD1-N 3.24Å; D549-G552 VanDerWaalsContact OD1-N 3.15Å; D549-S553 PolarHBondContact N-O 3.13Å; D549-S553 WeakPolarHBondContact OD1-CB 3.42Å; D549-S553 PolarHBondContact OD1-N 2.85Å; D549-V555 HydrophobicContact CB-CG2 4.32Å
550A58.6Low68.1Low117 Ų11785.9 Ų85.997%0.96746%0.464SS*.THydrogen-bonded Turntrans-58.7-7.517800000114
551T58.7Low68.4Low108 Ų10887.1 Ų87.166%0.66347%0.471SS*.THydrogen-bonded Turntrans-103.50.1177.274.70000113.9D549 S553D549-T551 PolarHBondContact O-N 2.84Å; D549-T551 VanDerWaalsContact OD1-CA 3.3Å; D549-T551 WeakPolarHBondContact OD1-CA 3.45Å; D549-T551 WeakPolarHBondContact OD1-CB 3.37Å; D549-T551 PolarHBondContact OD1-N 2.74Å; D549-T551 PolarHBondContact OD1-OG1 3.15Å; D549-T551 PolarHBondContact OD2-OG1 2.92Å; T551-S553 VanDerWaalsContact C-N 3.35Å; T551-S553 PolarHBondContact OG1-OG 3.23Å
552G61.9Low68.8Low50 Ų5080.9 Ų80.952%0.51545%0.447SS..SBendtrans78.317.7-176.900000113.8F548 D549F548-G552 VanDerWaalsContact CD1-C 3.48Å; F548-G552 WeakPolarHBondContact CD1-O 3.38Å; D549-G552 PolarHBondContact O-N 2.78Å; D549-G552 PolarHBondContact OD1-N 3.24Å; D549-G552 VanDerWaalsContact OD1-N 3.15Å
553S56.8Low69.8Low63 Ų6381.9 Ų81.944%0.44145%0.453SS..  trans-93.9139.7177.5-60.80000111.5F548 D549 T551 V555F548-S553 VanDerWaalsContact CA-O 3.3Å; F548-S553 WeakPolarHBondContact CA-O 3.37Å; D549-S553 PolarHBondContact N-O 3.13Å; D549-S553 WeakPolarHBondContact OD1-CB 3.42Å; D549-S553 PolarHBondContact OD1-N 2.85Å; T551-S553 VanDerWaalsContact C-N 3.35Å; T551-S553 PolarHBondContact OG1-OG 3.23Å; S553-V555 PolarHBondContact O-N 2.82Å
554Q59.2Low71Confident152 Ų15272.9 Ų72.971%0.7142%0.42SS*.BIsolated β-bridgetrans-60.8118.6-176.4-153.9177.411.800111H547 Q556H547-Q554 CarbonylContact O-C 3.55Å; H547-Q554 WeakPolarHBondContact O-CA 3.37Å; Q554-Q556 PolarHBondContact O-N 3.4Å
555V60Low72.4Confident36 Ų3671.2 Ų71.222%0.21840%0.4CS..  trans-64.9109.6-179.5175.90000108.7P542 D546 H547 D549 S553P542-V555 HydrophobicContact CG-CB 4.29Å; P542-V555 HydrophobicContact CG-CG1 3.63Å; D546-V555 VanDerWaalsContact O-CB 3.31Å; D546-V555 WeakPolarHBondContact O-CB 3.45Å; D546-V555 WeakPolarHBondContact O-CG2 3.42Å; H547-V555 PolarHBondContact O-N 2.94Å; D549-V555 HydrophobicContact CB-CG2 4.32Å; S553-V555 PolarHBondContact O-N 2.82Å
556Q67.1Low74.3Confident172 Ų17264.3 Ų64.380%0.80436%0.364SS*.  trans-61.6142.4177-164.9171.113.600109.9Q554 Q558Q554-Q556 PolarHBondContact O-N 3.4Å; Q556-Q558 PolarHBondContact O-N 2.86Å; Q556-Q558 VanDerWaalsContact O-N 3.15Å
557C79.5Confident76.2Confident43 Ų4360.5 Ų60.529%0.29134%0.343SS..  trans-42.4121.4174172.60000111.1F540 Y541 K559F540-C557 WeakPolarHBondContact O-CA 3.47Å; Y541-C557 HydrophobicContact CD1-CB 3.99Å; Y541-C557 HydrophobicContact CE1-CB 3.77Å; Y541-C557 VanDerWaalsContact CE1-SG 3.59Å; C557-K559 PolarHBondContact O-N 3.48Å
558Q83.6Confident78.2Confident61 Ų6157.5 Ų57.529%0.28533%0.329SS..EExtended strand (participates in β ladder)trans-80.4120.3178.9-64-161.1-0.600109.4F540 Q556 F639 S640F540-Q558 HydrophobicContact CB-CB 4.39Å; F540-Q558 PolarHBondContact N-O 2.93Å; F540-Q558 PolarHBondContact O-N 3.48Å; Q556-Q558 PolarHBondContact O-N 2.86Å; Q556-Q558 VanDerWaalsContact O-N 3.15Å; Q558-F639 PolarHBondContact OE1-O 3.06Å; Q558-S640 VanDerWaalsContact OE1-CB 3.25Å; Q558-S640 PolarHBondContact OE1-OG 2.8Å
559K90.4Very high80.2Confident97 Ų9752 Ų5242%0.42231%0.305SS..EExtended strand (participates in β ladder)trans-103.5128-179.8-174.4179.9179.1175.60110.6A538 Y539 C557A538-K559 WeakPolarHBondContact O-CA 3.48Å; Y539-K559 HydrophobicContact CD1-CB 4.44Å; Y539-K559 HydrophobicContact CD1-CG 4.26Å; Y539-K559 HydrophobicContact CE1-CB 4.44Å; Y539-K559 HydrophobicContact CE1-CD 3.78Å; Y539-K559 HydrophobicContact CE1-CG 3.91Å; Y539-K559 WeakPolarHBondContact OH-CE 3.32Å; Y539-K559 PolarHBondContact OH-NZ 3.37Å; C557-K559 PolarHBondContact O-N 3.48Å
560H94Very high82Confident11 Ų1148.7 Ų48.75%0.05129%0.287CS..EExtended strand (participates in β ladder)trans-133.8153.5174-68.4-67.6000111.3A538 F540 L562 F639 S641 L643 H644 V646A538-H560 PolarHBondContact N-O 3.31Å; A538-H560 PolarHBondContact O-N 2.97Å; F540-H560 HydrophobicContact CE2-CB 4.48Å; H560-L562 HydrophobicContact CB-CD2 4.21Å; H560-F639 AromaticContact CD2-CE1 3.86Å; H560-S641 PolarHBondContact CE1-O 2.9Å; H560-L643 PolarHBondContact ND1-O 2.97Å; H560-H644 CarbonylContact C-O 3.42Å; H560-H644 VanDerWaalsContact CA-O 3.32Å; H560-H644 WeakPolarHBondContact CA-O 3.34Å; H560-H644 PolarHBondContact ND1-O 3.17Å; H560-V646 HydrophobicContact CB-CG2 4.43Å
561I95.2Very high83.8Confident32 Ų3243.1 Ų43.116%0.16424%0.241CC..EExtended strand (participates in β ladder)trans-98.6111.2163.3-61.2175000107.2D535 I536 H644 R645 V646D535-I561 HydrophobicContact CB-CG2 3.9Å; I536-I561 CarbonylContact O-C 3.54Å; I536-I561 WeakPolarHBondContact O-CA 3.37Å; I561-H644 PolarHBondContact N-O 3.25Å; I561-R645 HydrophobicContact CB-CB 4.38Å; I561-R645 HydrophobicContact CB-CG 4.05Å; I561-R645 HydrophobicContact CG2-CG 4.03Å; I561-R645 CarbonylContact O-C 3.6Å; I561-R645 WeakPolarHBondContact O-CA 3.5Å; I561-V646 PolarHBondContact O-N 3.3Å
562L95.7Very high85.6Confident3 Ų338.8 Ų38.82%0.01621%0.214CC..EExtended strand (participates in β ladder)trans-88.7115.3176.7-55.9-178000109.6D535 I536 A538 F540 H560 V564 L572 V613 F639 V646D535-L562 WeakPolarHBondContact CA-O 3.32Å; I536-L562 PolarHBondContact N-O 2.66Å; I536-L562 PolarHBondContact O-N 3.22Å; A538-L562 HydrophobicContact CB-CD1 3.63Å; A538-L562 HydrophobicContact CB-CG 3.73Å; F540-L562 HydrophobicContact CZ-CD1 4.3Å; H560-L562 HydrophobicContact CB-CD2 4.21Å; L562-V564 HydrophobicContact CB-CG1 3.87Å; L562-V564 PolarHBondContact O-N 3.27Å; L562-L572 HydrophobicContact CD1-CD1 4.33Å; L562-V613 HydrophobicContact CD1-CG1 3.94Å; L562-V613 HydrophobicContact CD1-CG2 4.19Å; L562-F639 HydrophobicContact CD2-CE1 4.3Å; L562-F639 HydrophobicContact CD2-CZ 4.41Å; L562-V646 WeakPolarHBondContact CA-O 3.2Å; L562-V646 HydrophobicContact CD2-CB 4.08Å
563C94.3Very high87.2Confident29 Ų2939.1 Ų39.120%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-86106.8169.2-44.80000108.2D535 R645 V646 K647 I648D535-C563 PolarHBondContact OD1-SG 3Å; C563-R645 WeakPolarHBondContact SG-CG 3.41Å; C563-V646 PolarHBondContact N-O 3.42Å; C563-K647 HydrophobicContact CB-CB 4.36Å; C563-K647 HydrophobicContact CB-CG 4.36Å; C563-I648 PolarHBondContact O-N 3.4Å
564V95.1Very high89.1Confident3 Ų337.4 Ų37.42%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-127.8165.4-171.4-62.70000111.6T533 V534 I536 L562 Q568 M569 L572 I648T533-V564 CarbonylContact C-O 3.51Å; T533-V564 VanDerWaalsContact CA-O 3.28Å; T533-V564 WeakPolarHBondContact CA-O 3.29Å; V534-V564 HydrophobicContact CB-CG2 4.47Å; V534-V564 PolarHBondContact N-O 2.88Å; V534-V564 WeakPolarHBondContact O-CG2 3.43Å; V534-V564 PolarHBondContact O-N 3.36Å; I536-V564 HydrophobicContact CD1-CG2 3.46Å; I536-V564 VanDerWaalsContact CD1-CG2 3.46Å; I536-V564 HydrophobicContact CG1-CG2 4.03Å; L562-V564 HydrophobicContact CB-CG1 3.87Å; L562-V564 PolarHBondContact O-N 3.27Å; V564-Q568 VanDerWaalsContact CA-OE1 3.23Å; V564-Q568 HydrophobicContact CB-CB 3.7Å; V564-Q568 VanDerWaalsContact CB-OE1 3.26Å; V564-Q568 HydrophobicContact CG1-CB 4.33Å; V564-Q568 HydrophobicContact CG2-CB 4.27Å; V564-M569 HydrophobicContact CG2-CB 4.13Å; V564-L572 HydrophobicContact CG1-CD1 4.14Å; V564-I648 HydrophobicContact CG1-CB 4.09Å; V564-I648 HydrophobicContact CG1-CG1 3.89Å
565S93.9Very high90.9Very high16 Ų1631.1 Ų31.111%0.11216%0.159CC..EExtended strand (participates in β ladder)trans-72.7161.8167.172.30000111.4Y567 Q568 M569S565-Y567 PolarHBondContact O-N 3.13Å; S565-Q568 WeakPolarHBondContact O-CB 3.42Å; S565-Q568 PolarHBondContact O-N 2.6Å; S565-Q568 VanDerWaalsContact O-N 3.15Å; S565-Q568 WeakPolarHBondContact OG-CG 3.41Å; S565-Q568 PolarHBondContact OG-N 2.81Å; S565-M569 PolarHBondContact O-N 3.34Å
566T93.8Very high92.4Very high15 Ų1535.3 Ų35.39%0.09218%0.18CC..Hα-helixtrans-57.4-38174.5-54.70000112.3P529 G532 M569 C570P529-T566 HydrophobicContact CB-CG2 4.03Å; P529-T566 WeakPolarHBondContact O-CB 3.12Å; P529-T566 PolarHBondContact O-OG1 2.91Å; G532-T566 VanDerWaalsContact C-OG1 3.28Å; G532-T566 VanDerWaalsContact CA-OG1 3.31Å; G532-T566 WeakPolarHBondContact CA-OG1 3.41Å; G532-T566 PolarHBondContact O-N 2.98Å; G532-T566 VanDerWaalsContact O-N 3.09Å; G532-T566 PolarHBondContact O-OG1 3.46Å; T566-M569 HydrophobicContact CG2-CE 4.03Å; T566-M569 WeakPolarHBondContact O-CB 3.24Å; T566-M569 PolarHBondContact O-N 3.22Å; T566-C570 PolarHBondContact O-N 3.12Å; T566-C570 PolarHBondContact O-SG 2.89Å
567Y95.1Very high93.7Very high6 Ų638.1 Ų38.12%0.02418%0.183CC..Hα-helixtrans-65-43.2175.6-70.5-19.8000112.6P497 C499 P529 H530 S565 M569 C570 V571 I592 D596P497-Y567 WeakPolarHBondContact CB-OH 3.24Å; P497-Y567 VanDerWaalsContact CG-OH 3.24Å; P497-Y567 WeakPolarHBondContact CG-OH 3.34Å; C499-Y567 HydrophobicContact CB-CE1 3.93Å; P529-Y567 HydrophobicContact CB-CE1 4.03Å; H530-Y567 HydrophobicContact CB-CE2 3.71Å; S565-Y567 PolarHBondContact O-N 3.13Å; Y567-M569 VanDerWaalsContact C-N 3.31Å; Y567-M569 PolarHBondContact O-N 3.18Å; Y567-C570 PolarHBondContact O-N 2.99Å; Y567-V571 WeakPolarHBondContact O-CG2 3.33Å; Y567-V571 PolarHBondContact O-N 3.29Å; Y567-V571 VanDerWaalsContact O-N 3.08Å; Y567-I592 HydrophobicContact CD1-CD1 3.77Å; Y567-I592 HydrophobicContact CD1-CG1 3.86Å; Y567-I592 HydrophobicContact CD1-CG2 4.42Å; Y567-I592 HydrophobicContact CD2-CG2 4.3Å; Y567-I592 HydrophobicContact CE1-CD1 4.5Å; Y567-I592 HydrophobicContact CE1-CG1 4.1Å; Y567-I592 HydrophobicContact CE1-CG2 4.41Å; Y567-I592 HydrophobicContact CE2-CG2 4.3Å; Y567-I592 HydrophobicContact CG-CD1 3.97Å; Y567-I592 HydrophobicContact CG-CG1 4.38Å; Y567-I592 HydrophobicContact CG-CG2 4.36Å; Y567-D596 HydrophobicContact CD2-CB 4.1Å; Y567-D596 HydrophobicContact CE2-CB 3.74Å
568Q96Very high94.4Very high0 Ų040 Ų400%019%0.187CC..Hα-helixtrans-60.9-41.5173.4-73.6170.6-21.100111V564 S565 V571 L572 T600 S603 L604V564-Q568 VanDerWaalsContact CA-OE1 3.23Å; V564-Q568 HydrophobicContact CB-CB 3.7Å; V564-Q568 VanDerWaalsContact CB-OE1 3.26Å; V564-Q568 HydrophobicContact CG1-CB 4.33Å; V564-Q568 HydrophobicContact CG2-CB 4.27Å; S565-Q568 WeakPolarHBondContact O-CB 3.42Å; S565-Q568 PolarHBondContact O-N 2.6Å; S565-Q568 VanDerWaalsContact O-N 3.15Å; S565-Q568 WeakPolarHBondContact OG-CG 3.41Å; S565-Q568 PolarHBondContact OG-N 2.81Å; Q568-V571 PolarHBondContact O-N 2.96Å; Q568-L572 WeakPolarHBondContact O-CB 3.39Å; Q568-L572 WeakPolarHBondContact O-CG 3.27Å; Q568-L572 PolarHBondContact O-N 3.01Å; Q568-T600 HydrophobicContact CB-CG2 4.38Å; Q568-T600 HydrophobicContact CG-CG2 3.83Å; Q568-S603 PolarHBondContact NE2-OG 3.37Å; Q568-L604 HydrophobicContact CB-CD1 4.44Å; Q568-L604 HydrophobicContact CB-CD2 4.33Å; Q568-L604 HydrophobicContact CG-CD1 4.29Å; Q568-L604 HydrophobicContact CG-CD2 4.1Å; Q568-L604 HydrophobicContact CG-CG 4.18Å
569M96.2Very high94.8Very high5 Ų541.4 Ų41.43%0.02521%0.208CC..Hα-helixtrans-58.6-49.4173.4177.9-155.962.200111.8I501 P502 V505 V534 I536 V564 S565 T566 Y567 V571 L572 M573I501-M569 HydrophobicContact CG2-CE 4.37Å; P502-M569 HydrophobicContact CG-CE 3.99Å; V505-M569 HydrophobicContact CG2-CE 4.38Å; V505-M569 HydrophobicContact CG2-SD 3.98Å; V534-M569 HydrophobicContact CB-CB 4.26Å; V534-M569 HydrophobicContact CB-CG 4.43Å; V534-M569 HydrophobicContact CB-SD 4.11Å; V534-M569 HydrophobicContact CG1-CG 4.22Å; V534-M569 HydrophobicContact CG1-SD 3.74Å; V534-M569 HydrophobicContact CG2-CB 4.32Å; V534-M569 HydrophobicContact CG2-CE 4.46Å; V534-M569 HydrophobicContact CG2-SD 3.77Å; I536-M569 HydrophobicContact CD1-CB 3.79Å; I536-M569 HydrophobicContact CD1-CG 3.75Å; I536-M569 HydrophobicContact CG1-CG 4.26Å; V564-M569 HydrophobicContact CG2-CB 4.13Å; S565-M569 PolarHBondContact O-N 3.34Å; T566-M569 HydrophobicContact CG2-CE 4.03Å; T566-M569 WeakPolarHBondContact O-CB 3.24Å; T566-M569 PolarHBondContact O-N 3.22Å; Y567-M569 VanDerWaalsContact C-N 3.31Å; Y567-M569 PolarHBondContact O-N 3.18Å; M569-V571 VanDerWaalsContact C-N 3.26Å; M569-V571 PolarHBondContact O-N 2.72Å; M569-L572 PolarHBondContact O-N 3.31Å; M569-M573 HydrophobicContact CG-CG 4Å; M569-M573 WeakPolarHBondContact O-CB 3.34Å; M569-M573 VanDerWaalsContact O-CG 3.26Å; M569-M573 WeakPolarHBondContact O-CG 3.45Å; M569-M573 PolarHBondContact O-N 3.14Å
570C96.3Very high95.1Very high3 Ų339.7 Ų39.72%0.0221%0.208CC..Hα-helixtrans-58.2-41.5-178.4-64.90000111.3C499 T566 Y567 T590 I592C499-C570 VanDerWaalsContact SG-SG 3.63Å; T566-C570 PolarHBondContact O-N 3.12Å; T566-C570 PolarHBondContact O-SG 2.89Å; Y567-C570 PolarHBondContact O-N 2.99Å; C570-T590 HydrophobicContact CB-CG2 4.33Å; C570-I592 HydrophobicContact CB-CD1 4.34Å
571V97Very high95.2Very high0 Ų039.3 Ų39.30%021%0.206CC..Hα-helixtrans-65.8-50.8174.6173.50000111.6Y567 Q568 M569 M573 L574 F575 I586 T590 I592 L597 T600 L601 L604 L614Y567-V571 WeakPolarHBondContact O-CG2 3.33Å; Y567-V571 PolarHBondContact O-N 3.29Å; Y567-V571 VanDerWaalsContact O-N 3.08Å; Q568-V571 PolarHBondContact O-N 2.96Å; M569-V571 VanDerWaalsContact C-N 3.26Å; M569-V571 PolarHBondContact O-N 2.72Å; V571-M573 VanDerWaalsContact C-N 3.31Å; V571-M573 PolarHBondContact O-N 3.34Å; V571-L574 WeakPolarHBondContact O-CB 3.49Å; V571-L574 PolarHBondContact O-N 3.1Å; V571-F575 HydrophobicContact CG1-CE2 4.19Å; V571-F575 WeakPolarHBondContact O-CD2 3.44Å; V571-I586 HydrophobicContact CG1-CG2 4.23Å; V571-I586 HydrophobicContact CG2-CG2 3.95Å; V571-T590 HydrophobicContact CG2-CG2 4.26Å; V571-I592 HydrophobicContact CG2-CD1 4.32Å; V571-L597 HydrophobicContact CG2-CD1 3.88Å; V571-T600 HydrophobicContact CG2-CG2 3.97Å; V571-L601 HydrophobicContact CG1-CD2 3.85Å; V571-L604 HydrophobicContact CB-CD1 4.3Å; V571-L604 HydrophobicContact CG1-CD1 4Å; V571-L614 HydrophobicContact CG1-CD1 4.1Å
572L96.9Very high95.3Very high18 Ų1838.9 Ų38.99%0.09421%0.206CC..Hα-helixtrans-62.9-36.3-175.6-71.6172.4000112.6I536 L562 V564 Q568 M569 L574 F575 L604 V613 L614I536-L572 HydrophobicContact CD1-CB 4.49Å; I536-L572 HydrophobicContact CD1-CD1 4.12Å; L562-L572 HydrophobicContact CD1-CD1 4.33Å; V564-L572 HydrophobicContact CG1-CD1 4.14Å; Q568-L572 WeakPolarHBondContact O-CB 3.39Å; Q568-L572 WeakPolarHBondContact O-CG 3.27Å; Q568-L572 PolarHBondContact O-N 3.01Å; M569-L572 PolarHBondContact O-N 3.31Å; L572-L574 PolarHBondContact O-N 3Å; L572-F575 PolarHBondContact O-N 2.99Å; L572-L604 HydrophobicContact CD1-CD2 4.22Å; L572-L604 HydrophobicContact CD2-CD1 4.36Å; L572-L604 HydrophobicContact CD2-CD2 4.32Å; L572-L604 HydrophobicContact CG-CD1 4.33Å; L572-L604 HydrophobicContact CG-CD2 4.39Å; L572-V613 HydrophobicContact CD2-CB 4.42Å; L572-V613 HydrophobicContact CD2-CG1 3.6Å; L572-L614 HydrophobicContact CD2-CD1 4.44Å; L572-L614 HydrophobicContact CD2-CD2 4.05Å; L572-L614 HydrophobicContact CD2-CG 4.16Å
573M95.4Very high95.3Very high56 Ų5638.9 Ų38.928%0.27621%0.205SC..Hα-helixtrans-66-21.5-179.2-73.3-62.7108.800113.8P502 I536 M569 V571 F575 N576P502-M573 HydrophobicContact CG-CB 4.03Å; P502-M573 HydrophobicContact CG-CG 3.95Å; I536-M573 HydrophobicContact CD1-CE 4.03Å; I536-M573 HydrophobicContact CG1-CE 4.37Å; I536-M573 HydrophobicContact CG2-CE 3.5Å; M569-M573 HydrophobicContact CG-CG 4Å; M569-M573 WeakPolarHBondContact O-CB 3.34Å; M569-M573 VanDerWaalsContact O-CG 3.26Å; M569-M573 WeakPolarHBondContact O-CG 3.45Å; M569-M573 PolarHBondContact O-N 3.14Å; V571-M573 VanDerWaalsContact C-N 3.31Å; V571-M573 PolarHBondContact O-N 3.34Å; M573-F575 VanDerWaalsContact C-N 3.28Å; M573-F575 PolarHBondContact O-N 2.98Å; M573-N576 PolarHBondContact O-N 3.33Å; M573-N576 PolarHBondContact SD-ND2 3.03Å
574L96.5Very high95.4Very high27 Ų2741.9 Ų41.914%0.14122%0.215CC..Hα-helixtrans-65.2-33.4175.5-61.9-178.1000112.2V571 L572 N576 R577 K578 L581 I586 E589 T590V571-L574 WeakPolarHBondContact O-CB 3.49Å; V571-L574 PolarHBondContact O-N 3.1Å; L572-L574 PolarHBondContact O-N 3Å; L574-N576 PolarHBondContact O-N 3.21Å; L574-R577 PolarHBondContact O-N 2.8Å; L574-R577 VanDerWaalsContact O-N 3.09Å; L574-K578 PolarHBondContact O-N 2.92Å; L574-L581 HydrophobicContact CB-CD1 3.64Å; L574-L581 HydrophobicContact CD1-CD1 4.06Å; L574-I586 HydrophobicContact CD1-CG1 4.45Å; L574-I586 HydrophobicContact CD1-CG2 4.21Å; L574-E589 HydrophobicContact CD1-CB 3.93Å; L574-E589 HydrophobicContact CD2-CB 3.95Å; L574-T590 HydrophobicContact CD1-CG2 3.74Å; L574-T590 HydrophobicContact CG-CG2 4.39Å
575F96Very high95.4Very high20 Ų2045.7 Ų45.79%0.08823%0.233CC..THydrogen-bonded Turntrans-73-9.5-175.9-67.1-77.3000114.2V571 L572 M573 R577 K578 L581 I586 L614 F633 V635V571-F575 HydrophobicContact CG1-CE2 4.19Å; V571-F575 WeakPolarHBondContact O-CD2 3.44Å; L572-F575 PolarHBondContact O-N 2.99Å; M573-F575 VanDerWaalsContact C-N 3.28Å; M573-F575 PolarHBondContact O-N 2.98Å; F575-R577 PolarHBondContact O-N 2.97Å; F575-K578 WeakPolarHBondContact CA-O 3.25Å; F575-K578 WeakPolarHBondContact CD1-O 3.44Å; F575-L581 HydrophobicContact CD1-CD1 4.38Å; F575-L581 HydrophobicContact CE1-CB 4.14Å; F575-L581 HydrophobicContact CE1-CD1 4.03Å; F575-L581 HydrophobicContact CE1-CG 4.32Å; F575-L581 HydrophobicContact CZ-CB 4.3Å; F575-L581 HydrophobicContact CZ-CD1 4.15Å; F575-I586 HydrophobicContact CZ-CD1 4.29Å; F575-L614 HydrophobicContact CD2-CD2 3.88Å; F575-L614 HydrophobicContact CE2-CD1 3.78Å; F575-L614 HydrophobicContact CE2-CD2 3.69Å; F575-L614 HydrophobicContact CE2-CG 4.42Å; F575-L614 HydrophobicContact CG-CD2 4.44Å; F575-L614 HydrophobicContact CZ-CD1 4.26Å; F575-L614 HydrophobicContact CZ-CD2 4.12Å; F575-F633 HydrophobicContact CE1-CB 4.47Å; F575-F633 WeakPolarHBondContact CE1-O 3.47Å; F575-F633 HydrophobicContact CZ-CB 3.89Å; F575-V635 HydrophobicContact CB-CG2 3.56Å; F575-V635 HydrophobicContact CD1-CG2 4.23Å; F575-V635 HydrophobicContact CG-CG2 3.9Å
576N93.3Very high95.6Very high124 Ų12444.9 Ų44.966%0.66323%0.227SC*.THydrogen-bonded Turntrans-68.6-18.9169.1-69.8-39.4000112.8M573 L574M573-N576 PolarHBondContact O-N 3.33Å; M573-N576 PolarHBondContact SD-ND2 3.03Å; L574-N576 PolarHBondContact O-N 3.21Å
577R92.7Very high95.7Very high231 Ų23146.3 Ų46.387%0.87223%0.233SC*.THydrogen-bonded Turntrans-114.2-24.4-178-61.4-179.7-176.5173.40.9113.4L574 F575L574-R577 PolarHBondContact O-N 2.8Å; L574-R577 VanDerWaalsContact O-N 3.09Å; F575-R577 PolarHBondContact O-N 2.97Å
578K94.6Very high95.6Very high83 Ų8350 Ų5036%0.36126%0.26SS..  trans-134.4127.2-173.5-67174.6178164.10109.7L574 F575 L581 E589L574-K578 PolarHBondContact O-N 2.92Å; F575-K578 WeakPolarHBondContact CA-O 3.25Å; F575-K578 WeakPolarHBondContact CD1-O 3.44Å; K578-L581 HydrophobicContact CB-CD1 4.33Å; K578-L581 HydrophobicContact CB-CD2 4.23Å; K578-L581 HydrophobicContact CB-CG 4.11Å; K578-L581 HydrophobicContact CD-CD2 3.53Å; K578-L581 HydrophobicContact CD-CG 4.29Å; K578-E589 IonicContact NZ-OE1 3.07Å; K578-E589 PolarHBondContact NZ-OE1 3.13Å; K578-E589 IonicContact NZ-OE2 3.37Å; K578-E589 PolarHBondContact NZ-OE2 2.77Å
579A92.2Very high95.6Very high90 Ų9052.9 Ų52.974%0.74427%0.273SS*.SBendtrans-71.9-32-177.200000113.3W634A579-W634 WeakPolarHBondContact O-CB 3.3Å
580C96Very high95.6Very high62 Ų6252.7 Ų52.742%0.41927%0.272SS..EExtended strand (participates in β ladder)trans-144.3138.7-177.8-178.10000110.1F633 W634C580-F633 WeakPolarHBondContact CA-O 3.4Å; C580-W634 HydrophobicContact CB-CB 4.49Å
581L97.3Very high95.5Very high2 Ų253.5 Ų53.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-138.2141.8-175.9-78168.3000110.7L574 F575 K578 Q585 I586 K632 F633L574-L581 HydrophobicContact CB-CD1 3.64Å; L574-L581 HydrophobicContact CD1-CD1 4.06Å; F575-L581 HydrophobicContact CD1-CD1 4.38Å; F575-L581 HydrophobicContact CE1-CB 4.14Å; F575-L581 HydrophobicContact CE1-CD1 4.03Å; F575-L581 HydrophobicContact CE1-CG 4.32Å; F575-L581 HydrophobicContact CZ-CB 4.3Å; F575-L581 HydrophobicContact CZ-CD1 4.15Å; K578-L581 HydrophobicContact CB-CD1 4.33Å; K578-L581 HydrophobicContact CB-CD2 4.23Å; K578-L581 HydrophobicContact CB-CG 4.11Å; K578-L581 HydrophobicContact CD-CD2 3.53Å; K578-L581 HydrophobicContact CD-CG 4.29Å; L581-Q585 HydrophobicContact CD2-CB 3.81Å; L581-I586 HydrophobicContact CB-CD1 4.14Å; L581-I586 HydrophobicContact CB-CG1 3.81Å; L581-I586 HydrophobicContact CD1-CG1 4.19Å; L581-K632 CarbonylContact O-C 3.59Å; L581-K632 WeakPolarHBondContact O-CA 3.24Å; L581-F633 PolarHBondContact N-O 3.15Å; L581-F633 PolarHBondContact O-N 2.96Å
582T96.6Very high95.4Very high24 Ų2453.7 Ų53.715%0.14728%0.282CS..EExtended strand (participates in β ladder)trans-81.715916957.50000111.2K584 Q585 I586 D631 K632T582-K584 VanDerWaalsContact C-N 3.29Å; T582-K584 PolarHBondContact O-N 2.98Å; T582-Q585 PolarHBondContact O-N 3.26Å; T582-Q585 VanDerWaalsContact O-N 3.15Å; T582-Q585 VanDerWaalsContact OG1-CD 3.29Å; T582-Q585 WeakPolarHBondContact OG1-CG 3.42Å; T582-Q585 PolarHBondContact OG1-N 3.38Å; T582-Q585 PolarHBondContact OG1-OE1 3.18Å; T582-I586 WeakPolarHBondContact O-CG1 3.48Å; T582-I586 PolarHBondContact O-N 3.07Å; T582-D631 CarbonylContact C-O 3.22Å; T582-D631 VanDerWaalsContact CA-O 3.24Å; T582-D631 WeakPolarHBondContact CA-O 3.36Å; T582-K632 HydrophobicContact CG2-CG 3.95Å
583Y96.6Very high95.1Very high2 Ų256.5 Ų56.51%0.00830%0.3CS..Hα-helixtrans-50.5-47.6173170.4-98.1000112.3Q585 I586 E587 E594 L597 K598 L601 I627 A629 D631Y583-Q585 VanDerWaalsContact C-N 3.33Å; Y583-Q585 PolarHBondContact O-N 3.19Å; Y583-I586 PolarHBondContact O-N 3.14Å; Y583-E587 WeakPolarHBondContact O-CB 2.92Å; Y583-E587 PolarHBondContact O-N 2.9Å; Y583-E594 WeakPolarHBondContact OH-CG 3.48Å; Y583-L597 HydrophobicContact CD2-CD2 4.29Å; Y583-L597 HydrophobicContact CE2-CD2 3.7Å; Y583-L597 HydrophobicContact CE2-CG 3.92Å; Y583-K598 HydrophobicContact CE2-CG 3.85Å; Y583-L601 HydrophobicContact CD2-CD1 3.64Å; Y583-L601 HydrophobicContact CE2-CD1 4.1Å; Y583-I627 HydrophobicContact CD2-CG2 3.57Å; Y583-I627 HydrophobicContact CE2-CG2 4.01Å; Y583-I627 HydrophobicContact CG-CG2 4.19Å; Y583-A629 WeakPolarHBondContact CB-O 3.48Å; Y583-D631 PolarHBondContact N-O 3.39Å
584K95.4Very high94.9Very high93 Ų9358.3 Ų58.340%0.40431%0.308SS..Hα-helixtrans-62.4-37179.8-74.8-73.4163-160.60113.4T582 E587 S588T582-K584 VanDerWaalsContact C-N 3.29Å; T582-K584 PolarHBondContact O-N 2.98Å; K584-E587 WeakPolarHBondContact CD-OE2 3.43Å; K584-E587 IonicContact NZ-OE2 3.44Å; K584-E587 PolarHBondContact NZ-OE2 3.4Å; K584-E587 PolarHBondContact O-N 3.48Å; K584-S588 PolarHBondContact O-N 3.33Å; K584-S588 PolarHBondContact O-OG 2.87Å
585Q95.7Very high94.4Very high82 Ų8262.5 Ų62.538%0.38332%0.322SS..Hα-helixtrans-66.1-45.9174.2-72.1167.4-41.600111.2L581 T582 Y583 E587 S588 E589L581-Q585 HydrophobicContact CD2-CB 3.81Å; T582-Q585 PolarHBondContact O-N 3.26Å; T582-Q585 VanDerWaalsContact O-N 3.15Å; T582-Q585 VanDerWaalsContact OG1-CD 3.29Å; T582-Q585 WeakPolarHBondContact OG1-CG 3.42Å; T582-Q585 PolarHBondContact OG1-N 3.38Å; T582-Q585 PolarHBondContact OG1-OE1 3.18Å; Y583-Q585 VanDerWaalsContact C-N 3.33Å; Y583-Q585 PolarHBondContact O-N 3.19Å; Q585-E587 VanDerWaalsContact C-N 3.31Å; Q585-E587 PolarHBondContact O-N 2.95Å; Q585-S588 PolarHBondContact O-N 2.93Å; Q585-S588 PolarHBondContact O-OG 2.85Å; Q585-E589 WeakPolarHBondContact O-CB 3.26Å; Q585-E589 WeakPolarHBondContact O-CG 3.36Å; Q585-E589 PolarHBondContact O-N 2.99Å
586I97Very high94.1Very high0 Ų062.5 Ų62.50%032%0.323CS..Hα-helixtrans-60.7-42.5177.1-59.2172.6000110.6V571 L574 F575 L581 T582 Y583 E589 T590 L597 L601 F633V571-I586 HydrophobicContact CG1-CG2 4.23Å; V571-I586 HydrophobicContact CG2-CG2 3.95Å; L574-I586 HydrophobicContact CD1-CG1 4.45Å; L574-I586 HydrophobicContact CD1-CG2 4.21Å; F575-I586 HydrophobicContact CZ-CD1 4.29Å; L581-I586 HydrophobicContact CB-CD1 4.14Å; L581-I586 HydrophobicContact CB-CG1 3.81Å; L581-I586 HydrophobicContact CD1-CG1 4.19Å; T582-I586 WeakPolarHBondContact O-CG1 3.48Å; T582-I586 PolarHBondContact O-N 3.07Å; Y583-I586 PolarHBondContact O-N 3.14Å; I586-E589 PolarHBondContact O-N 3.42Å; I586-T590 HydrophobicContact CG2-CG2 4.03Å; I586-T590 WeakPolarHBondContact O-CB 3.37Å; I586-T590 WeakPolarHBondContact O-CG2 3.44Å; I586-T590 PolarHBondContact O-N 3.32Å; I586-T590 PolarHBondContact O-OG1 2.59Å; I586-L597 HydrophobicContact CG2-CD1 3.79Å; I586-L597 HydrophobicContact CG2-CD2 4.44Å; I586-L601 HydrophobicContact CD1-CD2 3.93Å; I586-F633 HydrophobicContact CD1-CB 4.15Å; I586-F633 HydrophobicContact CD1-CD2 3.77Å; I586-F633 HydrophobicContact CD1-CE2 4.48Å; I586-F633 HydrophobicContact CD1-CG 4.08Å
587E95.9Very high94.1Very high44 Ų4456.6 Ų56.621%0.20629%0.291CS..Hα-helixtrans-57.4-50.9175.5-177.3175.3-131.700111.5Y583 K584 Q585 E589 G591 L597Y583-E587 WeakPolarHBondContact O-CB 2.92Å; Y583-E587 PolarHBondContact O-N 2.9Å; K584-E587 WeakPolarHBondContact CD-OE2 3.43Å; K584-E587 IonicContact NZ-OE2 3.44Å; K584-E587 PolarHBondContact NZ-OE2 3.4Å; K584-E587 PolarHBondContact O-N 3.48Å; Q585-E587 VanDerWaalsContact C-N 3.31Å; Q585-E587 PolarHBondContact O-N 2.95Å; E587-E589 PolarHBondContact O-N 3.45Å; E587-G591 WeakPolarHBondContact O-CA 3.42Å; E587-G591 PolarHBondContact O-N 2.86Å; E587-L597 VanDerWaalsContact CA-CD2 3.47Å; E587-L597 HydrophobicContact CB-CD2 3.62Å; E587-L597 HydrophobicContact CG-CD2 4.19Å
588S94.8Very high94.1Very high85 Ų8548.6 Ų48.659%0.59426%0.263SS*.Hα-helixtrans-64.7-37.5-179.970.20000113.8K584 Q585K584-S588 PolarHBondContact O-N 3.33Å; K584-S588 PolarHBondContact O-OG 2.87Å; Q585-S588 PolarHBondContact O-N 2.93Å; Q585-S588 PolarHBondContact O-OG 2.85Å
589E95.3Very high93.8Very high59 Ų5948.6 Ų48.628%0.27626%0.26SS..Hα-helixtrans-84.8-25.1-174.8-71.7-177.6-12000113.3L574 K578 Q585 I586 E587L574-E589 HydrophobicContact CD1-CB 3.93Å; L574-E589 HydrophobicContact CD2-CB 3.95Å; K578-E589 IonicContact NZ-OE1 3.07Å; K578-E589 PolarHBondContact NZ-OE1 3.13Å; K578-E589 IonicContact NZ-OE2 3.37Å; K578-E589 PolarHBondContact NZ-OE2 2.77Å; Q585-E589 WeakPolarHBondContact O-CB 3.26Å; Q585-E589 WeakPolarHBondContact O-CG 3.36Å; Q585-E589 PolarHBondContact O-N 2.99Å; I586-E589 PolarHBondContact O-N 3.42Å; E587-E589 PolarHBondContact O-N 3.45Å
590T95.9Very high93.9Very high1 Ų144.7 Ų44.71%0.00623%0.227CC..Hα-helixtrans-98.1-23.1177.563.20000113.3C499 I500 C570 V571 L574 I586 I592C499-T590 CarbonylContact C-O 3.4Å; C499-T590 WeakPolarHBondContact CA-O 3.46Å; I500-T590 PolarHBondContact N-O 3.15Å; C570-T590 HydrophobicContact CB-CG2 4.33Å; V571-T590 HydrophobicContact CG2-CG2 4.26Å; L574-T590 HydrophobicContact CD1-CG2 3.74Å; L574-T590 HydrophobicContact CG-CG2 4.39Å; I586-T590 HydrophobicContact CG2-CG2 4.03Å; I586-T590 WeakPolarHBondContact O-CB 3.37Å; I586-T590 WeakPolarHBondContact O-CG2 3.44Å; I586-T590 PolarHBondContact O-N 3.32Å; I586-T590 PolarHBondContact O-OG1 2.59Å; T590-I592 HydrophobicContact CG2-CD1 4.33Å; T590-I592 PolarHBondContact O-N 3.14Å; T590-I592 VanDerWaalsContact O-N 3.14Å; T590-I592 PolarHBondContact OG1-N 3.17Å
591G94.6Very high93.8Very high21 Ų2141.7 Ų41.722%0.21621%0.207CC..  trans64.510-175.100000114.7N498 E587N498-G591 CarbonylContact C-O 3.56Å; E587-G591 WeakPolarHBondContact O-CA 3.42Å; E587-G591 PolarHBondContact O-N 2.86Å
592I94.3Very high93.5Very high3 Ų342.7 Ų42.72%0.01521%0.212CC..  trans-72.7132.6-179.4-61.1167000109.1Y567 C570 V571 T590 D596 L597Y567-I592 HydrophobicContact CD1-CD1 3.77Å; Y567-I592 HydrophobicContact CD1-CG1 3.86Å; Y567-I592 HydrophobicContact CD1-CG2 4.42Å; Y567-I592 HydrophobicContact CD2-CG2 4.3Å; Y567-I592 HydrophobicContact CE1-CD1 4.5Å; Y567-I592 HydrophobicContact CE1-CG1 4.1Å; Y567-I592 HydrophobicContact CE1-CG2 4.41Å; Y567-I592 HydrophobicContact CE2-CG2 4.3Å; Y567-I592 HydrophobicContact CG-CD1 3.97Å; Y567-I592 HydrophobicContact CG-CG1 4.38Å; Y567-I592 HydrophobicContact CG-CG2 4.36Å; C570-I592 HydrophobicContact CB-CD1 4.34Å; V571-I592 HydrophobicContact CG2-CD1 4.32Å; T590-I592 HydrophobicContact CG2-CD1 4.33Å; T590-I592 PolarHBondContact O-N 3.14Å; T590-I592 VanDerWaalsContact O-N 3.14Å; T590-I592 PolarHBondContact OG1-N 3.17Å; I592-D596 HydrophobicContact CG2-CB 3.81Å; I592-L597 HydrophobicContact CB-CB 4.14Å; I592-L597 HydrophobicContact CD1-CD1 4.46Å; I592-L597 HydrophobicContact CG2-CB 3.83Å
593V90.8Very high93.3Very high78 Ų7841.9 Ų41.947%0.47321%0.208SC..  trans-57138.3178.4-176.90000111R595 D596 L597V593-R595 VanDerWaalsContact C-N 3.26Å; V593-R595 PolarHBondContact O-N 2.94Å; V593-D596 PolarHBondContact O-N 3.3Å; V593-L597 PolarHBondContact O-N 3.35Å
594E90.7Very high93.2Very high93 Ų9341.8 Ų41.844%0.43521%0.207SC..Hα-helixtrans-41.4-48.9-175167.1165.6-16300113.7Y583 D596 L597 K598Y583-E594 WeakPolarHBondContact OH-CG 3.48Å; E594-D596 PolarHBondContact O-N 2.87Å; E594-L597 PolarHBondContact O-N 3.23Å; E594-K598 HydrophobicContact CG-CD 4.19Å; E594-K598 VanDerWaalsContact O-CG 3.32Å; E594-K598 WeakPolarHBondContact O-CG 3.42Å; E594-K598 PolarHBondContact O-N 2.91Å; E594-K598 WeakPolarHBondContact OE1-CE 3.37Å; E594-K598 IonicContact OE1-NZ 2.69Å; E594-K598 PolarHBondContact OE1-NZ 2.9Å
595R86.7Confident93.1Very high115 Ų11538.2 Ų38.243%0.43419%0.193SC..Hα-helixtrans-56.3-51.9179.6-170.4-177.684.5149.510.5112.2V593 R599 E660V593-R595 VanDerWaalsContact C-N 3.26Å; V593-R595 PolarHBondContact O-N 2.94Å; R595-R599 PolarHBondContact O-N 3.1Å; R595-E660 IonicContact CZ-OE1 3.93Å; R595-E660 IonicContact NH1-OE1 3.65Å; R595-E660 PolarHBondContact NH1-OE1 3.04Å; R595-E660 IonicContact NH2-OE1 2.75Å; R595-E660 PolarHBondContact NH2-OE1 3.48Å
596D88.9Confident92.6Very high21 Ų2135.4 Ų35.411%0.11218%0.184CC..Hα-helixtrans-73.1-33.6-177.9-76.7-52.4000112.2Y567 I592 V593 E594 R599 T600Y567-D596 HydrophobicContact CD2-CB 4.1Å; Y567-D596 HydrophobicContact CE2-CB 3.74Å; I592-D596 HydrophobicContact CG2-CB 3.81Å; V593-D596 PolarHBondContact O-N 3.3Å; E594-D596 PolarHBondContact O-N 2.87Å; D596-R599 IonicContact OD1-CZ 3.54Å; D596-R599 IonicContact OD1-NE 3.27Å; D596-R599 IonicContact OD1-NH2 3.78Å; D596-R599 PolarHBondContact OD1-NH2 2.85Å; D596-T600 VanDerWaalsContact O-CB 3.27Å; D596-T600 WeakPolarHBondContact O-CB 3.36Å; D596-T600 PolarHBondContact O-N 2.94Å; D596-T600 PolarHBondContact O-OG1 3.02Å
597L93.7Very high91.7Very high0 Ų037.5 Ų37.50%021%0.206CC..Hα-helixtrans-67.1-46.8178.2179.357.9000111.3V571 Y583 I586 E587 I592 V593 E594 R599 T600 L601V571-L597 HydrophobicContact CG2-CD1 3.88Å; Y583-L597 HydrophobicContact CD2-CD2 4.29Å; Y583-L597 HydrophobicContact CE2-CD2 3.7Å; Y583-L597 HydrophobicContact CE2-CG 3.92Å; I586-L597 HydrophobicContact CG2-CD1 3.79Å; I586-L597 HydrophobicContact CG2-CD2 4.44Å; E587-L597 VanDerWaalsContact CA-CD2 3.47Å; E587-L597 HydrophobicContact CB-CD2 3.62Å; E587-L597 HydrophobicContact CG-CD2 4.19Å; I592-L597 HydrophobicContact CB-CB 4.14Å; I592-L597 HydrophobicContact CD1-CD1 4.46Å; I592-L597 HydrophobicContact CG2-CB 3.83Å; V593-L597 PolarHBondContact O-N 3.35Å; E594-L597 PolarHBondContact O-N 3.23Å; L597-R599 VanDerWaalsContact C-N 3.3Å; L597-R599 PolarHBondContact O-N 3.27Å; L597-T600 WeakPolarHBondContact O-CB 3.34Å; L597-T600 PolarHBondContact O-N 3.34Å; L597-T600 VanDerWaalsContact O-N 3.15Å; L597-L601 HydrophobicContact CD1-CD1 3.99Å; L597-L601 HydrophobicContact CD1-CG 4.05Å; L597-L601 HydrophobicContact CG-CD1 3.95Å; L597-L601 HydrophobicContact CG-CG 4.45Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 3.26Å
598K92.3Very high91.1Very high63 Ų6341.6 Ų41.627%0.27422%0.223SC..Hα-helixtrans-58.3-44.1178-72.2-175.8177.9171.50111.5Y583 E594 L601 L602 I627Y583-K598 HydrophobicContact CE2-CG 3.85Å; E594-K598 HydrophobicContact CG-CD 4.19Å; E594-K598 VanDerWaalsContact O-CG 3.32Å; E594-K598 WeakPolarHBondContact O-CG 3.42Å; E594-K598 PolarHBondContact O-N 2.91Å; E594-K598 WeakPolarHBondContact OE1-CE 3.37Å; E594-K598 IonicContact OE1-NZ 2.69Å; E594-K598 PolarHBondContact OE1-NZ 2.9Å; K598-L601 PolarHBondContact O-N 3.09Å; K598-L602 WeakPolarHBondContact O-CB 3.18Å; K598-L602 WeakPolarHBondContact O-CG 3.1Å; K598-L602 PolarHBondContact O-N 3.42Å; K598-I627 HydrophobicContact CB-CB 4.25Å; K598-I627 HydrophobicContact CB-CG1 4.17Å; K598-I627 HydrophobicContact CD-CB 4.31Å; K598-I627 HydrophobicContact CG-CB 3.9Å; K598-I627 HydrophobicContact CG-CG1 4.37Å; K598-I627 HydrophobicContact CG-CG2 4.24Å
599R88.7Confident90.5Very high83 Ų8342.2 Ų42.231%0.31323%0.225SC..Hα-helixtrans-62.4-42.6176-172.3173.974.1155.4-14.4112.4R595 D596 L597 S603 L651R595-R599 PolarHBondContact O-N 3.1Å; D596-R599 IonicContact OD1-CZ 3.54Å; D596-R599 IonicContact OD1-NE 3.27Å; D596-R599 IonicContact OD1-NH2 3.78Å; D596-R599 PolarHBondContact OD1-NH2 2.85Å; L597-R599 VanDerWaalsContact C-N 3.3Å; L597-R599 PolarHBondContact O-N 3.27Å; R599-S603 PolarHBondContact O-N 3.33Å; R599-L651 WeakPolarHBondContact CD-O 3.5Å; R599-L651 HydrophobicContact CG-CB 3.9Å; R599-L651 WeakPolarHBondContact CG-O 3.48Å
600T93.6Very high89.9Confident7 Ų745 Ų454%0.04324%0.236CC..Hα-helixtrans-61-48.7176.5-64.90000110.8Q568 V571 D596 L597 S603 L604Q568-T600 HydrophobicContact CB-CG2 4.38Å; Q568-T600 HydrophobicContact CG-CG2 3.83Å; V571-T600 HydrophobicContact CG2-CG2 3.97Å; D596-T600 VanDerWaalsContact O-CB 3.27Å; D596-T600 WeakPolarHBondContact O-CB 3.36Å; D596-T600 PolarHBondContact O-N 2.94Å; D596-T600 PolarHBondContact O-OG1 3.02Å; L597-T600 WeakPolarHBondContact O-CB 3.34Å; L597-T600 PolarHBondContact O-N 3.34Å; L597-T600 VanDerWaalsContact O-N 3.15Å; T600-S603 PolarHBondContact O-N 3.4Å; T600-S603 PolarHBondContact O-OG 3.49Å; T600-L604 HydrophobicContact CG2-CD1 4.31Å; T600-L604 WeakPolarHBondContact O-CG 3.31Å; T600-L604 PolarHBondContact O-N 2.88Å
601L94.8Very high89.3Confident0 Ų047.1 Ų47.10%025%0.246CC..Hα-helixtrans-64.4-44.9178.8-71168.9000112.1V571 Y583 I586 L597 K598 S603 L604 T605 I627 F633V571-L601 HydrophobicContact CG1-CD2 3.85Å; Y583-L601 HydrophobicContact CD2-CD1 3.64Å; Y583-L601 HydrophobicContact CE2-CD1 4.1Å; I586-L601 HydrophobicContact CD1-CD2 3.93Å; L597-L601 HydrophobicContact CD1-CD1 3.99Å; L597-L601 HydrophobicContact CD1-CG 4.05Å; L597-L601 HydrophobicContact CG-CD1 3.95Å; L597-L601 HydrophobicContact CG-CG 4.45Å; L597-L601 WeakPolarHBondContact O-CG 3.47Å; L597-L601 PolarHBondContact O-N 3.26Å; K598-L601 PolarHBondContact O-N 3.09Å; L601-S603 PolarHBondContact O-N 3.15Å; L601-L604 PolarHBondContact O-N 3.2Å; L601-T605 WeakPolarHBondContact O-CG2 3.3Å; L601-T605 PolarHBondContact O-N 2.7Å; L601-T605 PolarHBondContact O-OG1 2.93Å; L601-T605 VanDerWaalsContact O-OG1 3.1Å; L601-I627 HydrophobicContact CB-CD1 3.85Å; L601-I627 HydrophobicContact CB-CG1 4.46Å; L601-I627 HydrophobicContact CD1-CG2 4.42Å; L601-F633 HydrophobicContact CB-CE1 4.06Å; L601-F633 HydrophobicContact CB-CZ 4.32Å; L601-F633 HydrophobicContact CD1-CE1 4.28Å; L601-F633 HydrophobicContact CD1-CE2 4.13Å; L601-F633 HydrophobicContact CD1-CZ 3.84Å; L601-F633 HydrophobicContact CD2-CD1 4.07Å; L601-F633 HydrophobicContact CD2-CE1 4Å; L601-F633 HydrophobicContact CD2-CG 4.41Å; L601-F633 HydrophobicContact CD2-CZ 4.32Å; L601-F633 HydrophobicContact CG-CE1 4.34Å; L601-F633 HydrophobicContact CG-CZ 4.4Å
602L92Very high89.1Confident22 Ų2251.4 Ų51.412%0.11526%0.255CS..Hα-helixtrans-57.4-38.9174.4-73.9169.4000111.8K598 L604 T605 A606 K625 I627 L651K598-L602 WeakPolarHBondContact O-CB 3.18Å; K598-L602 WeakPolarHBondContact O-CG 3.1Å; K598-L602 PolarHBondContact O-N 3.42Å; L602-L604 PolarHBondContact O-N 3.05Å; L602-T605 PolarHBondContact O-N 3.48Å; L602-A606 HydrophobicContact CD2-CB 4.49Å; L602-A606 WeakPolarHBondContact O-CA 3.28Å; L602-A606 WeakPolarHBondContact O-CB 3.38Å; L602-A606 PolarHBondContact O-N 3.45Å; L602-K625 VanDerWaalsContact CD1-O 3.26Å; L602-K625 WeakPolarHBondContact CD1-O 3.48Å; L602-I627 HydrophobicContact CD1-CG1 4.31Å; L602-I627 HydrophobicContact CD2-CD1 3.9Å; L602-I627 HydrophobicContact CD2-CG1 3.98Å; L602-I627 HydrophobicContact CG-CD1 3.94Å; L602-I627 HydrophobicContact CG-CG1 3.71Å; L602-L651 HydrophobicContact CB-CD1 3.42Å; L602-L651 VanDerWaalsContact CB-CD1 3.42Å
603S91.7Very high89.2Confident8 Ų851.4 Ų51.46%0.05626%0.256CS..Hα-helixtrans-66.9-21.4178.274.10000113.8Q568 R599 T600 L601 L651Q568-S603 PolarHBondContact NE2-OG 3.37Å; R599-S603 PolarHBondContact O-N 3.33Å; T600-S603 PolarHBondContact O-N 3.4Å; T600-S603 PolarHBondContact O-OG 3.49Å; L601-S603 PolarHBondContact O-N 3.15Å; S603-L651 VanDerWaalsContact N-CD1 3.3Å
604L94.6Very high89.4Confident0 Ų047.8 Ų47.80%023%0.234CC..Hα-helixtrans-96.7-21179.6-66170.8000113.1Q568 V571 L572 T600 L601 L602 R612 V613 L614 I648Q568-L604 HydrophobicContact CB-CD1 4.44Å; Q568-L604 HydrophobicContact CB-CD2 4.33Å; Q568-L604 HydrophobicContact CG-CD1 4.29Å; Q568-L604 HydrophobicContact CG-CD2 4.1Å; Q568-L604 HydrophobicContact CG-CG 4.18Å; V571-L604 HydrophobicContact CB-CD1 4.3Å; V571-L604 HydrophobicContact CG1-CD1 4Å; L572-L604 HydrophobicContact CD1-CD2 4.22Å; L572-L604 HydrophobicContact CD2-CD1 4.36Å; L572-L604 HydrophobicContact CD2-CD2 4.32Å; L572-L604 HydrophobicContact CG-CD1 4.33Å; L572-L604 HydrophobicContact CG-CD2 4.39Å; T600-L604 HydrophobicContact CG2-CD1 4.31Å; T600-L604 WeakPolarHBondContact O-CG 3.31Å; T600-L604 PolarHBondContact O-N 2.88Å; L601-L604 PolarHBondContact O-N 3.2Å; L602-L604 PolarHBondContact O-N 3.05Å; L604-R612 CarbonylContact O-C 3.59Å; L604-R612 VanDerWaalsContact O-CA 3.32Å; L604-R612 WeakPolarHBondContact O-CA 3.5Å; L604-V613 HydrophobicContact CD2-CB 4.31Å; L604-V613 HydrophobicContact CD2-CG2 4.48Å; L604-V613 PolarHBondContact O-N 2.92Å; L604-L614 HydrophobicContact CB-CB 4.38Å; L604-L614 HydrophobicContact CB-CD1 3.98Å; L604-L614 HydrophobicContact CB-CG 4.15Å; L604-L614 HydrophobicContact CD1-CD1 3.91Å; L604-L614 PolarHBondContact O-N 3.16Å; L604-I648 HydrophobicContact CD2-CG2 4.25Å
605T93Very high89.5Confident17 Ų1745 Ų4510%0.10422%0.224CC..Hα-helixtrans-113.3-29.8-17663.30000114.3L601 L602 R612 L614 R616 F633L601-T605 WeakPolarHBondContact O-CG2 3.3Å; L601-T605 PolarHBondContact O-N 2.7Å; L601-T605 PolarHBondContact O-OG1 2.93Å; L601-T605 VanDerWaalsContact O-OG1 3.1Å; L602-T605 PolarHBondContact O-N 3.48Å; T605-R612 WeakPolarHBondContact O-CD 3.32Å; T605-R612 WeakPolarHBondContact O-CG 3.31Å; T605-L614 HydrophobicContact CG2-CB 3.78Å; T605-R616 HydrophobicContact CG2-CB 3.9Å; T605-F633 HydrophobicContact CG2-CD1 3.71Å; T605-F633 HydrophobicContact CG2-CE1 3.84Å
606A85.2Confident89.9Confident23 Ų2341.3 Ų41.319%0.1921%0.21CC..SBendtrans-99.3175.8-177.400000111.6L602L602-A606 HydrophobicContact CD2-CB 4.49Å; L602-A606 WeakPolarHBondContact O-CA 3.28Å; L602-A606 WeakPolarHBondContact O-CB 3.38Å; L602-A606 PolarHBondContact O-N 3.45Å
607G78.9Confident90.1Very high44 Ų4445 Ų4545%0.45423%0.229SC..SBendtrans89.5-154.7177.800000114.2R612G607-R612 PolarHBondContact O-NE 3.04Å; G607-R612 PolarHBondContact O-NH2 3.39Å
608K83.6Confident90Very high131 Ų13147.6 Ų47.657%0.5725%0.246SC*.SBendtrans-70.3147.1-175.8-65.1-178.4179.4-179.60109.8K610 Q611K608-K610 HydrophobicContact CB-CG 4.13Å; K608-K610 PolarHBondContact O-N 2.96Å; K608-Q611 HydrophobicContact CB-CG 4.49Å; K608-Q611 WeakPolarHBondContact O-CB 3.3Å; K608-Q611 PolarHBondContact O-N 3.43Å
609P81.7Confident89.9Confident97 Ų9748.4 Ų48.463%0.6326%0.256SS*.G310 helixtrans-47.8-40.9-179.6-30.735.7000114.2Q611 R612P609-Q611 PolarHBondContact O-N 3.41Å; P609-R612 PolarHBondContact O-N 3.14Å; P609-R612 VanDerWaalsContact O-N 3.11Å
610K82.1Confident89.8Confident119 Ų11946.8 Ų46.852%0.51726%0.256SS..G310 helixtrans-65.31.8175.568.6179.4-176.7176.10116.5K608 F639K608-K610 HydrophobicContact CB-CG 4.13Å; K608-K610 PolarHBondContact O-N 2.96Å; K610-F639 WeakPolarHBondContact O-CE2 3.38Å
611Q84.1Confident88.8Confident44 Ų4453.6 Ų53.621%0.20629%0.292CS..G310 helixtrans-117.4-11.8178-62.9169.4-34.900111.8K608 P609 V613K608-Q611 HydrophobicContact CB-CG 4.49Å; K608-Q611 WeakPolarHBondContact O-CB 3.3Å; K608-Q611 PolarHBondContact O-N 3.43Å; P609-Q611 PolarHBondContact O-N 3.41Å; Q611-V613 VanDerWaalsContact C-N 3.35Å; Q611-V613 PolarHBondContact O-N 2.94Å
612R90.7Very high88.2Confident111 Ų11156.8 Ų56.842%0.41931%0.309SS..  trans-8576.3-174.3-57.3-175.9-169.1175.6-1.4110.6L604 T605 G607 P609 L614 N636L604-R612 CarbonylContact O-C 3.59Å; L604-R612 VanDerWaalsContact O-CA 3.32Å; L604-R612 WeakPolarHBondContact O-CA 3.5Å; T605-R612 WeakPolarHBondContact O-CD 3.32Å; T605-R612 WeakPolarHBondContact O-CG 3.31Å; G607-R612 PolarHBondContact O-NE 3.04Å; G607-R612 PolarHBondContact O-NH2 3.39Å; P609-R612 PolarHBondContact O-N 3.14Å; P609-R612 VanDerWaalsContact O-N 3.11Å; R612-L614 VanDerWaalsContact C-N 3.25Å; R612-N636 WeakPolarHBondContact O-CB 3.47Å; R612-N636 PolarHBondContact O-ND2 2.85Å
613V94.5Very high87.5Confident4 Ų458.7 Ų58.72%0.02432%0.323CS..  trans-69.3-28.8177.6-177.30000111.1F540 L562 L572 L604 Q611 N636 F639 I648F540-V613 HydrophobicContact CE1-CG1 4.23Å; F540-V613 HydrophobicContact CZ-CG1 4.12Å; L562-V613 HydrophobicContact CD1-CG1 3.94Å; L562-V613 HydrophobicContact CD1-CG2 4.19Å; L572-V613 HydrophobicContact CD2-CB 4.42Å; L572-V613 HydrophobicContact CD2-CG1 3.6Å; L604-V613 HydrophobicContact CD2-CB 4.31Å; L604-V613 HydrophobicContact CD2-CG2 4.48Å; L604-V613 PolarHBondContact O-N 2.92Å; Q611-V613 VanDerWaalsContact C-N 3.35Å; Q611-V613 PolarHBondContact O-N 2.94Å; V613-N636 WeakPolarHBondContact O-CB 3.45Å; V613-N636 PolarHBondContact O-N 3.39Å; V613-F639 HydrophobicContact CG2-CD2 4.41Å; V613-F639 HydrophobicContact CG2-CE2 4.04Å; V613-F639 HydrophobicContact CG2-CZ 4.43Å; V613-I648 HydrophobicContact CG2-CD1 3.85Å; V613-I648 HydrophobicContact CG2-CG1 4.21Å
614L95.5Very high86.8Confident2 Ų261.8 Ų61.81%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-114.9144.1177.1-62.6179.3000111.1V571 L572 F575 L604 T605 R612 W634 V635V571-L614 HydrophobicContact CG1-CD1 4.1Å; L572-L614 HydrophobicContact CD2-CD1 4.44Å; L572-L614 HydrophobicContact CD2-CD2 4.05Å; L572-L614 HydrophobicContact CD2-CG 4.16Å; F575-L614 HydrophobicContact CD2-CD2 3.88Å; F575-L614 HydrophobicContact CE2-CD1 3.78Å; F575-L614 HydrophobicContact CE2-CD2 3.69Å; F575-L614 HydrophobicContact CE2-CG 4.42Å; F575-L614 HydrophobicContact CG-CD2 4.44Å; F575-L614 HydrophobicContact CZ-CD1 4.26Å; F575-L614 HydrophobicContact CZ-CD2 4.12Å; L604-L614 HydrophobicContact CB-CB 4.38Å; L604-L614 HydrophobicContact CB-CD1 3.98Å; L604-L614 HydrophobicContact CB-CG 4.15Å; L604-L614 HydrophobicContact CD1-CD1 3.91Å; L604-L614 PolarHBondContact O-N 3.16Å; T605-L614 HydrophobicContact CG2-CB 3.78Å; R612-L614 VanDerWaalsContact C-N 3.25Å; L614-W634 CarbonylContact C-O 3.52Å; L614-W634 WeakPolarHBondContact CA-O 3.45Å; L614-V635 HydrophobicContact CD2-CG2 4.35Å
615C94Very high86.2Confident35 Ų3568.7 Ų68.724%0.23637%0.374CS..EExtended strand (participates in β ladder)trans-88.3155.7163.2-72.20000110F633 W634 N636C615-F633 WeakPolarHBondContact O-CA 3.44Å; C615-W634 HydrophobicContact CB-CD2 3.76Å; C615-W634 HydrophobicContact CB-CE3 4.48Å; C615-W634 HydrophobicContact CB-CG 4.08Å; C615-W634 HydrophobicContact CB-CH2 4.31Å; C615-W634 HydrophobicContact CB-CZ2 3.58Å; C615-W634 VanDerWaalsContact CB-NE1 3.29Å; C615-W634 PolarHBondContact N-O 2.8Å; C615-W634 PolarHBondContact O-N 2.9Å; C615-N636 VanDerWaalsContact SG-CB 3.57Å
616R93.7Very high85.8Confident36 Ų3676.1 Ų76.114%0.13640%0.4CS..EExtended strand (participates in β ladder)trans-141.2135.4-177.2179.2-178.6167.7-153.2-16.9111.1T605 P618 P623 R626 D631 K632 F633T605-R616 HydrophobicContact CG2-CB 3.9Å; R616-P618 WeakPolarHBondContact O-CD 3.12Å; R616-P623 PolarHBondContact NH1-O 2.91Å; R616-R626 PolarHBondContact NH1-O 3.17Å; R616-R626 PolarHBondContact NH2-O 3.48Å; R616-D631 IonicContact CZ-OD2 3.02Å; R616-D631 IonicContact NE-OD2 3.52Å; R616-D631 PolarHBondContact NE-OD2 3.19Å; R616-D631 IonicContact NH2-OD2 2.67Å; R616-D631 PolarHBondContact NH2-OD2 2.77Å; R616-K632 CarbonylContact C-O 3.58Å; R616-K632 VanDerWaalsContact CA-O 3.29Å; R616-K632 WeakPolarHBondContact CA-O 3.32Å; R616-F633 HydrophobicContact CB-CD1 4.1Å; R616-F633 HydrophobicContact CB-CE1 4.14Å; R616-F633 HydrophobicContact CG-CD1 4.08Å; R616-F633 HydrophobicContact CG-CE1 3.72Å; R616-F633 HydrophobicContact CG-CZ 4.16Å
617L94.3Very high86Confident98 Ų9875.6 Ų75.651%0.51339%0.394SS..EExtended strand (participates in β ladder)trans-102.4102.5164.6-175.967.3000108.3D631 K632 W634L617-D631 WeakPolarHBondContact O-CA 3.46Å; L617-K632 HydrophobicContact CB-CB 4.28Å; L617-K632 PolarHBondContact N-O 2.83Å; L617-K632 PolarHBondContact O-N 3.36Å; L617-K632 VanDerWaalsContact O-N 3.16Å; L617-W634 HydrophobicContact CB-CH2 3.95Å; L617-W634 HydrophobicContact CB-CZ3 3.73Å
618P91.4Very high86.6Confident55 Ų5573.6 Ų73.636%0.35737%0.374SS..  trans-79.4151.7-176.132.4-35.2000112.8R616 P623 D631R616-P618 WeakPolarHBondContact O-CD 3.12Å; P618-P623 HydrophobicContact CB-CB 3.48Å; P618-P623 VanDerWaalsContact CB-CB 3.48Å; P618-P623 HydrophobicContact CB-CG 4.44Å; P618-P623 HydrophobicContact CG-CB 3.64Å; P618-P623 HydrophobicContact CG-CG 4.17Å; P618-D631 WeakPolarHBondContact CA-OD1 3.33Å
619T90Very high86.8Confident80 Ų8069.8 Ų69.849%0.49137%0.367SS..  trans-116.53.1176.958.30000113.1E630 D631T619-E630 HydrophobicContact CG2-CB 4.03Å; T619-D631 WeakPolarHBondContact CB-OD1 3.27Å; T619-D631 PolarHBondContact N-OD1 3.26Å; T619-D631 PolarHBondContact OG1-OD1 3.45Å
620V86.9Confident87.2Confident50 Ų5070.6 Ų70.630%0.30336%0.362SS..SBendtrans-125.8155.6-176-66.90000112.1R626V620-R626 HydrophobicContact CG2-CB 4.13Å
621D72.9Confident87.9Confident149 Ų14964.9 Ų64.980%0.79734%0.337SS*.SBendtrans-67.6141.1170.4-57.3-42.7000111.2
622D80.7Confident88.5Confident68 Ų6867.6 Ų67.636%0.36435%0.348SS..  trans56.270-169.6-165.1-1.2000114.5S624 K625 R626D622-S624 PolarHBondContact O-N 3.08Å; D622-S624 PolarHBondContact OD1-N 3.29Å; D622-S624 PolarHBondContact OD1-OG 3.12Å; D622-K625 PolarHBondContact O-N 3.18Å; D622-K625 WeakPolarHBondContact OD2-CD 3.42Å; D622-K625 IonicContact OD2-NZ 3.55Å; D622-R626 PolarHBondContact O-N 3.38Å
623P77.6Confident88.8Confident62 Ų6262.3 Ų62.340%0.40333%0.328SS..THydrogen-bonded Turntrans-64.8-12.8-179.829.1-37.2000113.4R616 P618 K625R616-P623 PolarHBondContact NH1-O 2.91Å; P618-P623 HydrophobicContact CB-CB 3.48Å; P618-P623 VanDerWaalsContact CB-CB 3.48Å; P618-P623 HydrophobicContact CB-CG 4.44Å; P618-P623 HydrophobicContact CG-CB 3.64Å; P618-P623 HydrophobicContact CG-CG 4.17Å; P623-K625 VanDerWaalsContact C-N 3.28Å; P623-K625 PolarHBondContact O-N 3.43Å
624S78.2Confident88.9Confident72 Ų7266.6 Ų66.650%0.50334%0.344SS..THydrogen-bonded Turntrans-74-20.4179.577.60000113.3D622D622-S624 PolarHBondContact O-N 3.08Å; D622-S624 PolarHBondContact OD1-N 3.29Å; D622-S624 PolarHBondContact OD1-OG 3.12Å
625K80.5Confident88.8Confident146 Ų14668.5 Ų68.564%0.63536%0.356SS*.THydrogen-bonded Turntrans-124-25-174.1-63.5-177.8-165.5154.80114.9L602 D622 P623L602-K625 VanDerWaalsContact CD1-O 3.26Å; L602-K625 WeakPolarHBondContact CD1-O 3.48Å; D622-K625 PolarHBondContact O-N 3.18Å; D622-K625 WeakPolarHBondContact OD2-CD 3.42Å; D622-K625 IonicContact OD2-NZ 3.55Å; P623-K625 VanDerWaalsContact C-N 3.28Å; P623-K625 PolarHBondContact O-N 3.43Å
626R85.3Confident88.8Confident173 Ų17368.4 Ų68.465%0.65335%0.353SS*.  trans-118.4151.5-175.2-64.8-179.2179.2-177.40.1110.4R616 V620 D622R616-R626 PolarHBondContact NH1-O 3.17Å; R616-R626 PolarHBondContact NH2-O 3.48Å; V620-R626 HydrophobicContact CG2-CB 4.13Å; D622-R626 PolarHBondContact O-N 3.38Å
627I89.9Confident88.6Confident11 Ų1168.7 Ų68.76%0.05636%0.357CS..  trans-114.6124.1173.2-62.7-80.9000107.3Y583 K598 L601 L602 F633Y583-I627 HydrophobicContact CD2-CG2 3.57Å; Y583-I627 HydrophobicContact CE2-CG2 4.01Å; Y583-I627 HydrophobicContact CG-CG2 4.19Å; K598-I627 HydrophobicContact CB-CB 4.25Å; K598-I627 HydrophobicContact CB-CG1 4.17Å; K598-I627 HydrophobicContact CD-CB 4.31Å; K598-I627 HydrophobicContact CG-CB 3.9Å; K598-I627 HydrophobicContact CG-CG1 4.37Å; K598-I627 HydrophobicContact CG-CG2 4.24Å; L601-I627 HydrophobicContact CB-CD1 3.85Å; L601-I627 HydrophobicContact CB-CG1 4.46Å; L601-I627 HydrophobicContact CD1-CG2 4.42Å; L602-I627 HydrophobicContact CD1-CG1 4.31Å; L602-I627 HydrophobicContact CD2-CD1 3.9Å; L602-I627 HydrophobicContact CD2-CG1 3.98Å; L602-I627 HydrophobicContact CG-CD1 3.94Å; L602-I627 HydrophobicContact CG-CG1 3.71Å; I627-F633 HydrophobicContact CD1-CE1 4.1Å; I627-F633 HydrophobicContact CD1-CZ 3.9Å; I627-F633 HydrophobicContact CG2-CZ 4.17Å
628G90.6Very high88.2Confident3 Ų367.1 Ų67.13%0.03135%0.354CS..  trans-82155.1175.100000112.1E630 D631G628-E630 PolarHBondContact O-N 3.18Å; G628-D631 WeakPolarHBondContact CA-OD1 3.21Å; G628-D631 VanDerWaalsContact N-CG 3.27Å; G628-D631 PolarHBondContact N-OD1 3.44Å; G628-D631 PolarHBondContact N-OD2 2.89Å; G628-D631 PolarHBondContact O-N 2.91Å
629A87.7Confident88.1Confident51 Ų5164.6 Ų64.642%0.42134%0.338SS..THydrogen-bonded Turntrans-66.5-26.8-176.800000113.2Y583Y583-A629 WeakPolarHBondContact CB-O 3.48Å
630E91.5Very high87.9Confident113 Ų11363.9 Ų63.953%0.52834%0.336SS..THydrogen-bonded Turntrans-109.713.2-177.6-61.9-54.4133.400112.9T619 G628 K632T619-E630 HydrophobicContact CG2-CB 4.03Å; G628-E630 PolarHBondContact O-N 3.18Å; E630-K632 PolarHBondContact O-N 2.96Å
631D95Very high87.8Confident0 Ų062.6 Ų62.60%033%0.329CS..  trans-60.7137.8177.6-72.2-0.1000111.1T582 Y583 R616 L617 P618 T619 G628 F633T582-D631 CarbonylContact C-O 3.22Å; T582-D631 VanDerWaalsContact CA-O 3.24Å; T582-D631 WeakPolarHBondContact CA-O 3.36Å; Y583-D631 PolarHBondContact N-O 3.39Å; R616-D631 IonicContact CZ-OD2 3.02Å; R616-D631 IonicContact NE-OD2 3.52Å; R616-D631 PolarHBondContact NE-OD2 3.19Å; R616-D631 IonicContact NH2-OD2 2.67Å; R616-D631 PolarHBondContact NH2-OD2 2.77Å; L617-D631 WeakPolarHBondContact O-CA 3.46Å; P618-D631 WeakPolarHBondContact CA-OD1 3.33Å; T619-D631 WeakPolarHBondContact CB-OD1 3.27Å; T619-D631 PolarHBondContact N-OD1 3.26Å; T619-D631 PolarHBondContact OG1-OD1 3.45Å; G628-D631 WeakPolarHBondContact CA-OD1 3.21Å; G628-D631 VanDerWaalsContact N-CG 3.27Å; G628-D631 PolarHBondContact N-OD1 3.44Å; G628-D631 PolarHBondContact N-OD2 2.89Å; G628-D631 PolarHBondContact O-N 2.91Å; D631-F633 HydrophobicContact CB-CE2 3.59Å; D631-F633 HydrophobicContact CB-CZ 3.77Å; D631-F633 WeakPolarHBondContact O-CE2 3.37Å
632K96.8Very high88.5Confident100 Ų10067.7 Ų67.744%0.43534%0.337SS..EExtended strand (participates in β ladder)trans-105.3141177.3-65.7179.1-177177.90110.9L581 T582 R616 L617 E630L581-K632 CarbonylContact O-C 3.59Å; L581-K632 WeakPolarHBondContact O-CA 3.24Å; T582-K632 HydrophobicContact CG2-CG 3.95Å; R616-K632 CarbonylContact C-O 3.58Å; R616-K632 VanDerWaalsContact CA-O 3.29Å; R616-K632 WeakPolarHBondContact CA-O 3.32Å; L617-K632 HydrophobicContact CB-CB 4.28Å; L617-K632 PolarHBondContact N-O 2.83Å; L617-K632 PolarHBondContact O-N 3.36Å; L617-K632 VanDerWaalsContact O-N 3.16Å; E630-K632 PolarHBondContact O-N 2.96Å
633F97.6Very high88.9Confident0 Ų070 Ų700%035%0.349CS..EExtended strand (participates in β ladder)trans-128.6143.6-176-57.3-95.7000110.1F575 C580 L581 I586 L601 T605 C615 R616 I627 D631F575-F633 HydrophobicContact CE1-CB 4.47Å; F575-F633 WeakPolarHBondContact CE1-O 3.47Å; F575-F633 HydrophobicContact CZ-CB 3.89Å; C580-F633 WeakPolarHBondContact CA-O 3.4Å; L581-F633 PolarHBondContact N-O 3.15Å; L581-F633 PolarHBondContact O-N 2.96Å; I586-F633 HydrophobicContact CD1-CB 4.15Å; I586-F633 HydrophobicContact CD1-CD2 3.77Å; I586-F633 HydrophobicContact CD1-CE2 4.48Å; I586-F633 HydrophobicContact CD1-CG 4.08Å; L601-F633 HydrophobicContact CB-CE1 4.06Å; L601-F633 HydrophobicContact CB-CZ 4.32Å; L601-F633 HydrophobicContact CD1-CE1 4.28Å; L601-F633 HydrophobicContact CD1-CE2 4.13Å; L601-F633 HydrophobicContact CD1-CZ 3.84Å; L601-F633 HydrophobicContact CD2-CD1 4.07Å; L601-F633 HydrophobicContact CD2-CE1 4Å; L601-F633 HydrophobicContact CD2-CG 4.41Å; L601-F633 HydrophobicContact CD2-CZ 4.32Å; L601-F633 HydrophobicContact CG-CE1 4.34Å; L601-F633 HydrophobicContact CG-CZ 4.4Å; T605-F633 HydrophobicContact CG2-CD1 3.71Å; T605-F633 HydrophobicContact CG2-CE1 3.84Å; C615-F633 WeakPolarHBondContact O-CA 3.44Å; R616-F633 HydrophobicContact CB-CD1 4.1Å; R616-F633 HydrophobicContact CB-CE1 4.14Å; R616-F633 HydrophobicContact CG-CD1 4.08Å; R616-F633 HydrophobicContact CG-CE1 3.72Å; R616-F633 HydrophobicContact CG-CZ 4.16Å; I627-F633 HydrophobicContact CD1-CE1 4.1Å; I627-F633 HydrophobicContact CD1-CZ 3.9Å; I627-F633 HydrophobicContact CG2-CZ 4.17Å; D631-F633 HydrophobicContact CB-CE2 3.59Å; D631-F633 HydrophobicContact CB-CZ 3.77Å; D631-F633 WeakPolarHBondContact O-CE2 3.37Å
634W96.1Very high89.5Confident95 Ų9572 Ų7236%0.3635%0.353SS..EExtended strand (participates in β ladder)trans-150.4165.717361.699.4000110.1A579 C580 L614 C615 L617A579-W634 WeakPolarHBondContact O-CB 3.3Å; C580-W634 HydrophobicContact CB-CB 4.49Å; L614-W634 CarbonylContact C-O 3.52Å; L614-W634 WeakPolarHBondContact CA-O 3.45Å; C615-W634 HydrophobicContact CB-CD2 3.76Å; C615-W634 HydrophobicContact CB-CE3 4.48Å; C615-W634 HydrophobicContact CB-CG 4.08Å; C615-W634 HydrophobicContact CB-CH2 4.31Å; C615-W634 HydrophobicContact CB-CZ2 3.58Å; C615-W634 VanDerWaalsContact CB-NE1 3.29Å; C615-W634 PolarHBondContact N-O 2.8Å; C615-W634 PolarHBondContact O-N 2.9Å; L617-W634 HydrophobicContact CB-CH2 3.95Å; L617-W634 HydrophobicContact CB-CZ3 3.73Å
635V95Very high90.2Very high41 Ų4175.1 Ų75.125%0.24835%0.354CS..EExtended strand (participates in β ladder)trans-66.5136.1179.3179.20000110.5F540 F575 L614 D637F540-V635 HydrophobicContact CD1-CG1 4.08Å; F540-V635 HydrophobicContact CE1-CG1 4.09Å; F575-V635 HydrophobicContact CB-CG2 3.56Å; F575-V635 HydrophobicContact CD1-CG2 4.23Å; F575-V635 HydrophobicContact CG-CG2 3.9Å; L614-V635 HydrophobicContact CD2-CG2 4.35Å; V635-D637 PolarHBondContact O-N 3.21Å
636N93.2Very high90.8Very high34 Ų3468.7 Ų68.718%0.18233%0.326CS..  trans-82.188.1170.4-17814.6000109.8F540 R612 V613 C615 S638 F639F540-N636 WeakPolarHBondContact CD1-O 3.38Å; R612-N636 WeakPolarHBondContact O-CB 3.47Å; R612-N636 PolarHBondContact O-ND2 2.85Å; V613-N636 WeakPolarHBondContact O-CB 3.45Å; V613-N636 PolarHBondContact O-N 3.39Å; C615-N636 VanDerWaalsContact SG-CB 3.57Å; N636-S638 PolarHBondContact O-N 3.44Å; N636-S638 PolarHBondContact OD1-N 2.85Å; N636-F639 HydrophobicContact CB-CB 4.42Å; N636-F639 WeakPolarHBondContact O-CB 3.41Å; N636-F639 PolarHBondContact O-N 3.06Å
637D88.9Confident91Very high42 Ų4267.3 Ų67.323%0.22533%0.325CS..THydrogen-bonded Turntrans-62.2-19.9-180-78.9-47.2000113.9Y541 V635 F639Y541-D637 PolarHBondContact N-OD1 3.31Å; Y541-D637 WeakPolarHBondContact O-CB 3.45Å; V635-D637 PolarHBondContact O-N 3.21Å; D637-F639 VanDerWaalsContact C-N 3.3Å
638S86.6Confident91.1Very high64 Ų6467.1 Ų67.145%0.44832%0.324SS..THydrogen-bonded Turntrans-89.111.8173.6-52.50000113D546 N636 S640D546-S638 PolarHBondContact OD2-OG 3.34Å; N636-S638 PolarHBondContact O-N 3.44Å; N636-S638 PolarHBondContact OD1-N 2.85Å; S638-S640 PolarHBondContact O-N 3.24Å
639F89.4Confident90.8Very high2 Ų269.7 Ų69.71%0.00934%0.34CS..  trans-62.1129.4175.6175.8-90.2000111.1F540 Q558 H560 L562 K610 V613 N636 D637 V646F540-F639 HydrophobicContact CD1-CB 3.86Å; F540-F639 AromaticContact CD2-CD1 3.98Å; F540-F639 HydrophobicContact CD2-CD1 3.98Å; F540-F639 HydrophobicContact CE1-CB 3.75Å; F540-F639 HydrophobicContact CE1-CD1 4.1Å; F540-F639 HydrophobicContact CE1-CG 4.09Å; F540-F639 AromaticContact CE2-CD1 3.47Å; F540-F639 HydrophobicContact CE2-CD1 3.47Å; F540-F639 VanDerWaalsContact CE2-CD1 3.47Å; F540-F639 HydrophobicContact CE2-CE1 4.03Å; F540-F639 HydrophobicContact CE2-CG 4.28Å; F540-F639 HydrophobicContact CG-CB 4.3Å; F540-F639 HydrophobicContact CG-CD1 4.47Å; F540-F639 HydrophobicContact CZ-CB 4.1Å; F540-F639 AromaticContact CZ-CD1 3.53Å; F540-F639 HydrophobicContact CZ-CD1 3.53Å; F540-F639 HydrophobicContact CZ-CE1 4.17Å; F540-F639 AromaticContact CZ-CG 3.93Å; F540-F639 HydrophobicContact CZ-CG 3.93Å; Q558-F639 PolarHBondContact OE1-O 3.06Å; H560-F639 AromaticContact CD2-CE1 3.86Å; L562-F639 HydrophobicContact CD2-CE1 4.3Å; L562-F639 HydrophobicContact CD2-CZ 4.41Å; K610-F639 WeakPolarHBondContact O-CE2 3.38Å; V613-F639 HydrophobicContact CG2-CD2 4.41Å; V613-F639 HydrophobicContact CG2-CE2 4.04Å; V613-F639 HydrophobicContact CG2-CZ 4.43Å; N636-F639 HydrophobicContact CB-CB 4.42Å; N636-F639 WeakPolarHBondContact O-CB 3.41Å; N636-F639 PolarHBondContact O-N 3.06Å; D637-F639 VanDerWaalsContact C-N 3.3Å; F639-V646 HydrophobicContact CZ-CG1 4.29Å
640S84.6Confident90.6Very high65 Ų6571.5 Ų71.546%0.45535%0.346SS..  trans-143.6146.5176.8-163.40000112.5Q558 S638Q558-S640 VanDerWaalsContact OE1-CB 3.25Å; Q558-S640 PolarHBondContact OE1-OG 2.8Å; S638-S640 PolarHBondContact O-N 3.24Å
641S86.7Confident89.7Confident23 Ų2369.6 Ų69.616%0.16134%0.339CS..  trans-143.5144.3178.6169.60000110.9H560 L643 V646H560-S641 PolarHBondContact CE1-O 2.9Å; S641-L643 PolarHBondContact O-N 3.24Å; S641-L643 PolarHBondContact OG-N 2.87Å; S641-L643 PolarHBondContact OG-O 3.49Å; S641-V646 WeakPolarHBondContact OG-CG2 3.36Å
642R87.4Confident88Confident257 Ų25774.8 Ų74.897%0.9738%0.375SS*.SBendtrans-67.6-20.3172.1-63.1-175.4-176.1177-0.3113.1
643L88.3Confident85.6Confident116 Ų11672.2 Ų72.261%0.60737%0.37SS*.  trans-98.8131.3179.2-60.1176.1000109.7H560 S641 R645 V646H560-L643 PolarHBondContact ND1-O 2.97Å; S641-L643 PolarHBondContact O-N 3.24Å; S641-L643 PolarHBondContact OG-N 2.87Å; S641-L643 PolarHBondContact OG-O 3.49Å; L643-R645 WeakPolarHBondContact CB-O 3.37Å; L643-V646 WeakPolarHBondContact O-CG2 3.36Å
644H90Very high83.2Confident105 Ų10582.5 Ų82.549%0.48641%0.409SS..SBendtrans-63-42.9172176.6-102.3000111.5H560 I561H560-H644 CarbonylContact C-O 3.42Å; H560-H644 VanDerWaalsContact CA-O 3.32Å; H560-H644 WeakPolarHBondContact CA-O 3.34Å; H560-H644 PolarHBondContact ND1-O 3.17Å; I561-H644 PolarHBondContact N-O 3.25Å
645R92.8Very high80.4Confident137 Ų13785.9 Ų85.952%0.51743%0.431SS..EExtended strand (participates in β ladder)trans-98.8114174-165.3166.9-166.1154.6-5.6109.7D535 I561 C563 L643D535-R645 IonicContact OD1-CZ 2.84Å; D535-R645 IonicContact OD1-NE 2.61Å; D535-R645 IonicContact OD1-NH2 2.99Å; D535-R645 PolarHBondContact OD1-NH2 2.75Å; D535-R645 IonicContact OD2-CZ 3.06Å; D535-R645 IonicContact OD2-NH2 3.92Å; D535-R645 PolarHBondContact OD2-NH2 3.39Å; I561-R645 HydrophobicContact CB-CB 4.38Å; I561-R645 HydrophobicContact CB-CG 4.05Å; I561-R645 HydrophobicContact CG2-CG 4.03Å; I561-R645 CarbonylContact O-C 3.6Å; I561-R645 WeakPolarHBondContact O-CA 3.5Å; C563-R645 WeakPolarHBondContact SG-CG 3.41Å; L643-R645 WeakPolarHBondContact CB-O 3.37Å
646V92.4Very high78.2Confident10 Ų1086.3 Ų86.36%0.06143%0.432CS..EExtended strand (participates in β ladder)trans-112.7119.7-172.6-170.60000109.7H560 I561 L562 C563 F639 S641 L643 I648H560-V646 HydrophobicContact CB-CG2 4.43Å; I561-V646 PolarHBondContact O-N 3.3Å; L562-V646 WeakPolarHBondContact CA-O 3.2Å; L562-V646 HydrophobicContact CD2-CB 4.08Å; C563-V646 PolarHBondContact N-O 3.42Å; F639-V646 HydrophobicContact CZ-CG1 4.29Å; S641-V646 WeakPolarHBondContact OG-CG2 3.36Å; L643-V646 WeakPolarHBondContact O-CG2 3.36Å; V646-I648 HydrophobicContact CG1-CD1 3.93Å
647K90.8Very high76.5Confident145 Ų14589.4 Ų89.463%0.6345%0.445SS*.EExtended strand (participates in β ladder)trans-87.1118.2174-172.3168.9-173.2162.50110.7C563 P649C563-K647 HydrophobicContact CB-CB 4.36Å; C563-K647 HydrophobicContact CB-CG 4.36Å; K647-P649 WeakPolarHBondContact O-CD 3.2Å
648I91.3Very high75.1Confident6 Ų694 Ų943%0.03147%0.465CS..  trans-91.7112.9173.8-50.4-57.5000107.8C563 V564 L604 V613 V646C563-I648 PolarHBondContact O-N 3.4Å; V564-I648 HydrophobicContact CG1-CB 4.09Å; V564-I648 HydrophobicContact CG1-CG1 3.89Å; L604-I648 HydrophobicContact CD2-CG2 4.25Å; V613-I648 HydrophobicContact CG2-CD1 3.85Å; V613-I648 HydrophobicContact CG2-CG1 4.21Å; V646-I648 HydrophobicContact CG1-CD1 3.93Å
649P85.8Confident74.2Confident57 Ų5794 Ų9437%0.3746%0.464SS..PPolyproline II helixtrans-68.9142.6-178.729.2-33.3000110.3K647K647-P649 WeakPolarHBondContact O-CD 3.2Å
650T82Confident73.2Confident90 Ų9098 Ų9855%0.55248%0.482SS*.PPolyproline II helixtrans-72140.7163.148.10000109
651L73.5Confident72.4Confident72 Ų7297.4 Ų97.438%0.37747%0.472SS..PPolyproline II helixtrans-76.4128.2174.6-72.6171.2000109.5R599 L602 S603R599-L651 WeakPolarHBondContact CD-O 3.5Å; R599-L651 HydrophobicContact CG-CB 3.9Å; R599-L651 WeakPolarHBondContact CG-O 3.48Å; L602-L651 HydrophobicContact CB-CD1 3.42Å; L602-L651 VanDerWaalsContact CB-CD1 3.42Å; S603-L651 VanDerWaalsContact N-CD1 3.3Å
652S58.3Low71.9Confident109 Ų109102.6 Ų102.676%0.76249%0.494SS*.  trans-104.9110.3163.256.60000107.6
653S47.9Very low71.5Confident46 Ų4695.1 Ų95.132%0.32247%0.47SS..  trans-86.2134.1178.7144.60000109.5M655 D656S653-M655 PolarHBondContact O-N 3.33Å; S653-M655 PolarHBondContact OG-N 3.45Å; S653-M655 VanDerWaalsContact OG-N 3.12Å; S653-D656 WeakPolarHBondContact CB-OD2 3.38Å; S653-D656 PolarHBondContact O-N 2.84Å; S653-D656 PolarHBondContact OG-N 3.01Å; S653-D656 PolarHBondContact OG-OD2 3.13Å
654R45.3Very low71Confident217 Ų21790.5 Ų90.582%0.81945%0.446SS*.G310 helixtrans-65-28.3171.5-76.7-174.8176.7179.5-2.3112.1D656 Q657R654-D656 PolarHBondContact O-N 2.79Å; R654-Q657 PolarHBondContact O-N 3.39Å
655M39.1Very low70.6Confident165 Ų16589.6 Ų89.681%0.81344%0.438SS*.G310 helixtrans-68.6-19.6-178.7-67.1-1806400112.7S653S653-M655 PolarHBondContact O-N 3.33Å; S653-M655 PolarHBondContact OG-N 3.45Å; S653-M655 VanDerWaalsContact OG-N 3.12Å
656D48.8Very low70.2Confident51 Ų5189 Ų8927%0.27344%0.441SS..G310 helixtrans-96.5-5.9178.7-58.7-63.4000113.2S653 R654 P659 E660S653-D656 WeakPolarHBondContact CB-OD2 3.38Å; S653-D656 PolarHBondContact O-N 2.84Å; S653-D656 PolarHBondContact OG-N 3.01Å; S653-D656 PolarHBondContact OG-OD2 3.13Å; R654-D656 PolarHBondContact O-N 2.79Å; D656-P659 WeakPolarHBondContact O-CD 3.21Å; D656-E660 WeakPolarHBondContact O-CG 3.36Å; D656-E660 PolarHBondContact O-N 2.84Å
657Q57.4Low69.9Low98 Ų9892.9 Ų92.946%0.45846%0.457SS..Hα-helixtrans-69.7-41.8177.9-68.8-176.1-51.400111.3R654 E660 E661R654-Q657 PolarHBondContact O-N 3.39Å; Q657-E660 PolarHBondContact O-N 2.96Å; Q657-E661 VanDerWaalsContact O-CB 3.28Å; Q657-E661 WeakPolarHBondContact O-CB 3.43Å; Q657-E661 VanDerWaalsContact O-CG 3.23Å; Q657-E661 WeakPolarHBondContact O-CG 3.29Å; Q657-E661 PolarHBondContact O-N 2.88Å
658E59.7Low69.7Low138 Ų13886.7 Ų86.765%0.64543%0.431SS*.Hα-helixtrans-62.3-46.7-179.3-78.8-154.8154.900114.2E660 E661 Q662E658-E660 PolarHBondContact O-N 3.14Å; E658-E661 PolarHBondContact O-N 3.18Å; E658-Q662 WeakPolarHBondContact O-CG 3.42Å; E658-Q662 PolarHBondContact O-N 3.15Å
659P66.8Low69.6Low65 Ų6590.2 Ų90.242%0.42245%0.45SS..Hα-helixtrans-61.9-41.9175.6-2231.1000112.7D656 Q662 E663D656-P659 WeakPolarHBondContact O-CD 3.21Å; P659-Q662 PolarHBondContact O-N 3.03Å; P659-E663 WeakPolarHBondContact O-CB 3.49Å; P659-E663 PolarHBondContact O-N 3.22Å
660E67.8Low69.7Low86 Ų8690.3 Ų90.340%0.40245%0.447SS..Hα-helixtrans-67.4-37.1178.8-72.2-175.817600111.6R595 D656 Q657 E658 M664R595-E660 IonicContact CZ-OE1 3.93Å; R595-E660 IonicContact NH1-OE1 3.65Å; R595-E660 PolarHBondContact NH1-OE1 3.04Å; R595-E660 IonicContact NH2-OE1 2.75Å; R595-E660 PolarHBondContact NH2-OE1 3.48Å; D656-E660 WeakPolarHBondContact O-CG 3.36Å; D656-E660 PolarHBondContact O-N 2.84Å; Q657-E660 PolarHBondContact O-N 2.96Å; E658-E660 PolarHBondContact O-N 3.14Å; E660-M664 VanDerWaalsContact O-CB 3.27Å; E660-M664 WeakPolarHBondContact O-CB 3.47Å; E660-M664 PolarHBondContact O-N 2.82Å
661E69.3Low70.1Confident52 Ų5289.7 Ų89.724%0.24344%0.438CS..Hα-helixtrans-66.8-42.1173.8-77.9174.1-161.700112.1Q657 E658 M664 R665Q657-E661 VanDerWaalsContact O-CB 3.28Å; Q657-E661 WeakPolarHBondContact O-CB 3.43Å; Q657-E661 VanDerWaalsContact O-CG 3.23Å; Q657-E661 WeakPolarHBondContact O-CG 3.29Å; Q657-E661 PolarHBondContact O-N 2.88Å; E658-E661 PolarHBondContact O-N 3.18Å; E661-M664 WeakPolarHBondContact O-CB 3.27Å; E661-M664 PolarHBondContact O-N 3.39Å; E661-R665 WeakPolarHBondContact O-CG 3.42Å; E661-R665 PolarHBondContact O-N 2.71Å
662Q74.5Confident71.1Confident133 Ų13387.7 Ų87.762%0.62143%0.426SS*.Hα-helixtrans-63.9-46.6175.6-80.8-178.8-5.900111.8E658 P659 M664 R665 Q666E658-Q662 WeakPolarHBondContact O-CG 3.42Å; E658-Q662 PolarHBondContact O-N 3.15Å; P659-Q662 PolarHBondContact O-N 3.03Å; Q662-M664 PolarHBondContact O-N 3.19Å; Q662-R665 PolarHBondContact O-N 3.06Å; Q662-Q666 PolarHBondContact O-N 3.4Å
663E80Confident72.8Confident99 Ų9986.9 Ų86.946%0.46341%0.406SS..Hα-helixtrans-60.9-37.5175.9-164.6-167.3156.800111P659 K667P659-E663 WeakPolarHBondContact O-CB 3.49Å; P659-E663 PolarHBondContact O-N 3.22Å; E663-K667 WeakPolarHBondContact O-CG 3.31Å; E663-K667 PolarHBondContact O-N 2.94Å; E663-K667 WeakPolarHBondContact OE1-CE 3.45Å; E663-K667 IonicContact OE1-NZ 3.54Å; E663-K667 PolarHBondContact OE1-NZ 2.8Å
664M78.4Confident75Confident19 Ų1990.3 Ų90.39%0.09442%0.42CS..Hα-helixtrans-64.3-47.2175.3-169.5-173.2-51.200111.8R407 Y408 E660 E661 Q662 Q666 K667 I668R407-M664 HydrophobicContact CG-CG 4.03Å; R407-M664 HydrophobicContact CG-SD 3.79Å; Y408-M664 HydrophobicContact CD1-SD 4.33Å; Y408-M664 HydrophobicContact CD2-SD 4.48Å; Y408-M664 HydrophobicContact CE1-CE 3.94Å; Y408-M664 HydrophobicContact CE1-SD 3.83Å; Y408-M664 HydrophobicContact CE2-SD 3.96Å; E660-M664 VanDerWaalsContact O-CB 3.27Å; E660-M664 WeakPolarHBondContact O-CB 3.47Å; E660-M664 PolarHBondContact O-N 2.82Å; E661-M664 WeakPolarHBondContact O-CB 3.27Å; E661-M664 PolarHBondContact O-N 3.39Å; Q662-M664 PolarHBondContact O-N 3.19Å; M664-Q666 VanDerWaalsContact C-N 3.32Å; M664-Q666 PolarHBondContact O-N 3.26Å; M664-K667 PolarHBondContact O-N 3.32Å; M664-I668 HydrophobicContact CG-CD1 4.3Å; M664-I668 WeakPolarHBondContact O-CG1 3.43Å; M664-I668 PolarHBondContact O-N 2.59Å
665R80.5Confident77.3Confident86 Ų8681.3 Ų81.333%0.32539%0.387SS..Hα-helixtrans-59.1-44.5177.1-75.1172.5-178.4-107.11.8111.2N359 E661 Q662 K667 I668 D669N359-R665 PolarHBondContact ND2-NH1 3.39Å; N359-R665 PolarHBondContact OD1-NH2 2.74Å; E661-R665 WeakPolarHBondContact O-CG 3.42Å; E661-R665 PolarHBondContact O-N 2.71Å; Q662-R665 PolarHBondContact O-N 3.06Å; R665-K667 PolarHBondContact O-N 2.92Å; R665-I668 WeakPolarHBondContact O-CB 3.44Å; R665-I668 PolarHBondContact O-N 3.13Å; R665-I668 VanDerWaalsContact O-N 3.1Å; R665-D669 PolarHBondContact O-N 2.8Å
666Q85.7Confident80Confident125 Ų12573.4 Ų73.458%0.58435%0.348SS*.Hα-helixtrans-61.9-42.4178.4-166.2164.318.300112Q662 M664 I668 D669 D670Q662-Q666 PolarHBondContact O-N 3.4Å; M664-Q666 VanDerWaalsContact C-N 3.32Å; M664-Q666 PolarHBondContact O-N 3.26Å; Q666-I668 VanDerWaalsContact C-N 3.3Å; Q666-I668 PolarHBondContact O-N 3.1Å; Q666-D669 PolarHBondContact O-N 3.04Å; Q666-D670 WeakPolarHBondContact O-CB 3.34Å; Q666-D670 PolarHBondContact O-N 3.4Å; Q666-D670 VanDerWaalsContact O-OD1 3.08Å
667K85.5Confident82.3Confident91 Ų9172 Ų7240%0.39634%0.34SS..Hα-helixtrans-61.3-36.9173.9-76.6171.3178.7161.60112.9E663 M664 R665 Q671E663-K667 WeakPolarHBondContact O-CG 3.31Å; E663-K667 PolarHBondContact O-N 2.94Å; E663-K667 WeakPolarHBondContact OE1-CE 3.45Å; E663-K667 IonicContact OE1-NZ 3.54Å; E663-K667 PolarHBondContact OE1-NZ 2.8Å; M664-K667 PolarHBondContact O-N 3.32Å; R665-K667 PolarHBondContact O-N 2.92Å; K667-Q671 WeakPolarHBondContact O-CB 3.28Å; K667-Q671 PolarHBondContact O-N 3.27Å
668I86.9Confident84.1Confident16 Ų1669.5 Ų69.58%0.08234%0.336CS..Hα-helixtrans-66.3-47.1175.8-68.1169.5000109.8I404 R407 M664 R665 Q666 D670 Q671 R672I404-I668 HydrophobicContact CB-CD1 4.5Å; I404-I668 HydrophobicContact CG1-CD1 4.09Å; I404-I668 HydrophobicContact CG1-CG2 4.25Å; I404-I668 HydrophobicContact CG2-CD1 4.48Å; R407-I668 HydrophobicContact CB-CD1 4.33Å; R407-I668 HydrophobicContact CG-CD1 4.34Å; M664-I668 HydrophobicContact CG-CD1 4.3Å; M664-I668 WeakPolarHBondContact O-CG1 3.43Å; M664-I668 PolarHBondContact O-N 2.59Å; R665-I668 WeakPolarHBondContact O-CB 3.44Å; R665-I668 PolarHBondContact O-N 3.13Å; R665-I668 VanDerWaalsContact O-N 3.1Å; Q666-I668 VanDerWaalsContact C-N 3.3Å; Q666-I668 PolarHBondContact O-N 3.1Å; I668-D670 VanDerWaalsContact C-N 3.32Å; I668-D670 PolarHBondContact O-N 3.16Å; I668-Q671 PolarHBondContact O-N 3.48Å; I668-Q671 VanDerWaalsContact O-N 3.15Å; I668-R672 HydrophobicContact CG2-CG 4.32Å; I668-R672 WeakPolarHBondContact O-CG 3.46Å; I668-R672 PolarHBondContact O-N 3.23Å
669D87.7Confident85.8Confident79 Ų7962.9 Ų62.942%0.42231%0.305SS..Hα-helixtrans-61.4-41.2178-71-23.9000112R665 Q666 Q671 R672 R673R665-D669 PolarHBondContact O-N 2.8Å; Q666-D669 PolarHBondContact O-N 3.04Å; D669-Q671 VanDerWaalsContact C-N 3.33Å; D669-Q671 PolarHBondContact O-N 3.22Å; D669-R672 PolarHBondContact O-N 2.94Å; D669-R673 WeakPolarHBondContact O-CG 3.19Å; D669-R673 PolarHBondContact O-N 3.16Å
670D89.8Confident87.3Confident60 Ų6059.8 Ų59.832%0.32129%0.285SS..Hα-helixtrans-60.3-44.1174.8-66.91.4000111.4Q666 I668 R673 L674Q666-D670 WeakPolarHBondContact O-CB 3.34Å; Q666-D670 PolarHBondContact O-N 3.4Å; Q666-D670 VanDerWaalsContact O-OD1 3.08Å; I668-D670 VanDerWaalsContact C-N 3.32Å; I668-D670 PolarHBondContact O-N 3.16Å; D670-R673 PolarHBondContact O-N 3.25Å; D670-R673 IonicContact OD1-CZ 3.3Å; D670-R673 IonicContact OD1-NH1 2.91Å; D670-R673 PolarHBondContact OD1-NH1 3.2Å; D670-R673 IonicContact OD1-NH2 2.72Å; D670-R673 PolarHBondContact OD1-NH2 3.32Å; D670-R673 IonicContact OD2-NH2 2.99Å; D670-L674 PolarHBondContact O-N 3.42Å
671Q89.8Confident88.7Confident76 Ų7657.2 Ų57.236%0.35528%0.275SS..Hα-helixtrans-66.6-41.9176.8-170.9173.2-23.100111.8K667 I668 D669 R673 L674 E675K667-Q671 WeakPolarHBondContact O-CB 3.28Å; K667-Q671 PolarHBondContact O-N 3.27Å; I668-Q671 PolarHBondContact O-N 3.48Å; I668-Q671 VanDerWaalsContact O-N 3.15Å; D669-Q671 VanDerWaalsContact C-N 3.33Å; D669-Q671 PolarHBondContact O-N 3.22Å; Q671-R673 VanDerWaalsContact C-N 3.29Å; Q671-R673 PolarHBondContact O-N 3.35Å; Q671-L674 PolarHBondContact O-N 2.92Å; Q671-L674 VanDerWaalsContact O-N 3.15Å; Q671-E675 HydrophobicContact CG-CG 4.39Å; Q671-E675 PolarHBondContact NE2-OE1 3.33Å; Q671-E675 WeakPolarHBondContact O-CG 3.46Å; Q671-E675 PolarHBondContact O-N 3.28Å
672R93.5Very high90Very high31 Ų3160.8 Ų60.812%0.11729%0.286CS..Hα-helixtrans-57.6-41.7175.2-73.8173.7173.1-159.9-11.3111.6D401 D403 I668 D669 L674 E675 V676 F707D401-R672 IonicContact OD1-CZ 3.15Å; D401-R672 IonicContact OD1-NH1 4Å; D401-R672 IonicContact OD1-NH2 2.65Å; D401-R672 PolarHBondContact OD1-NH2 3.09Å; D401-R672 IonicContact OD2-NH2 2.9Å; D403-R672 IonicContact OD1-CZ 3.05Å; D403-R672 IonicContact OD1-NE 3.91Å; D403-R672 IonicContact OD1-NH2 3.78Å; D403-R672 PolarHBondContact OD1-NH2 3.21Å; D403-R672 IonicContact OD2-CZ 2.69Å; D403-R672 IonicContact OD2-NE 3.81Å; D403-R672 PolarHBondContact OD2-NE 3.2Å; D403-R672 IonicContact OD2-NH2 3.7Å; D403-R672 PolarHBondContact OD2-NH2 3.25Å; I668-R672 HydrophobicContact CG2-CG 4.32Å; I668-R672 WeakPolarHBondContact O-CG 3.46Å; I668-R672 PolarHBondContact O-N 3.23Å; D669-R672 PolarHBondContact O-N 2.94Å; R672-L674 PolarHBondContact O-N 3.17Å; R672-E675 PolarHBondContact O-N 3.31Å; R672-V676 WeakPolarHBondContact O-CB 3.15Å; R672-V676 WeakPolarHBondContact O-CG2 3.12Å; R672-V676 PolarHBondContact O-N 3.44Å; R672-F707 HydrophobicContact CB-CE1 4.3Å; R672-F707 HydrophobicContact CB-CE2 4.07Å; R672-F707 HydrophobicContact CB-CZ 3.81Å; R672-F707 HydrophobicContact CG-CD1 4.1Å; R672-F707 HydrophobicContact CG-CD2 4.16Å; R672-F707 HydrophobicContact CG-CE1 3.87Å; R672-F707 HydrophobicContact CG-CE2 3.92Å; R672-F707 HydrophobicContact CG-CG 4.24Å; R672-F707 HydrophobicContact CG-CZ 3.77Å
673R94.2Very high91.1Very high92 Ų9255 Ų5535%0.34726%0.26SS..Hα-helixtrans-58.6-46.1175.8-70.1-168.7-53-93.612.6111.7D669 D670 Q671 V676 E677D669-R673 WeakPolarHBondContact O-CG 3.19Å; D669-R673 PolarHBondContact O-N 3.16Å; D670-R673 PolarHBondContact O-N 3.25Å; D670-R673 IonicContact OD1-CZ 3.3Å; D670-R673 IonicContact OD1-NH1 2.91Å; D670-R673 PolarHBondContact OD1-NH1 3.2Å; D670-R673 IonicContact OD1-NH2 2.72Å; D670-R673 PolarHBondContact OD1-NH2 3.32Å; D670-R673 IonicContact OD2-NH2 2.99Å; Q671-R673 VanDerWaalsContact C-N 3.29Å; Q671-R673 PolarHBondContact O-N 3.35Å; R673-V676 PolarHBondContact O-N 2.91Å; R673-E677 WeakPolarHBondContact O-CG 2.83Å; R673-E677 PolarHBondContact O-N 2.82Å; R673-E677 VanDerWaalsContact O-N 3.09Å
674L93.8Very high92Very high117 Ų11750.3 Ų50.361%0.61324%0.238SC*.Hα-helixtrans-66.1-40.7178-65.4172.9000112.2D670 Q671 R672 V676 E677 A678D670-L674 PolarHBondContact O-N 3.42Å; Q671-L674 PolarHBondContact O-N 2.92Å; Q671-L674 VanDerWaalsContact O-N 3.15Å; R672-L674 PolarHBondContact O-N 3.17Å; L674-V676 VanDerWaalsContact C-N 3.34Å; L674-V676 PolarHBondContact O-N 3.24Å; L674-E677 PolarHBondContact O-N 2.9Å; L674-A678 WeakPolarHBondContact O-CB 3.32Å; L674-A678 PolarHBondContact O-N 3.27Å
675E93.6Very high92.8Very high28 Ų2855.2 Ų55.213%0.13126%0.258CS..Hα-helixtrans-66-37.4178.9-71.2-174.9-168.800112.3Q671 R672 A678 A679 R706 F707Q671-E675 HydrophobicContact CG-CG 4.39Å; Q671-E675 PolarHBondContact NE2-OE1 3.33Å; Q671-E675 WeakPolarHBondContact O-CG 3.46Å; Q671-E675 PolarHBondContact O-N 3.28Å; R672-E675 PolarHBondContact O-N 3.31Å; E675-A678 PolarHBondContact O-N 2.61Å; E675-A679 WeakPolarHBondContact O-CB 3.44Å; E675-A679 PolarHBondContact O-N 2.96Å; E675-R706 IonicContact OE1-CZ 2.8Å; E675-R706 IonicContact OE1-NH1 3.63Å; E675-R706 PolarHBondContact OE1-NH1 3.09Å; E675-R706 IonicContact OE1-NH2 2.59Å; E675-R706 PolarHBondContact OE1-NH2 3.28Å; E675-R706 IonicContact OE2-CZ 3.96Å; E675-R706 IonicContact OE2-NE 3.3Å; E675-R706 IonicContact OE2-NH1 3.93Å; E675-R706 PolarHBondContact OE2-NH1 2.81Å; E675-F707 HydrophobicContact CB-CE1 4.33Å
676V96.9Very high93.6Very high0 Ų054.9 Ų54.90%027%0.274CS..Hα-helixtrans-66.3-45.6174.3174.10000111.3R672 R673 L674 A678 A679 I680 V699 L703 F707 P709 M713 I714 R717R672-V676 WeakPolarHBondContact O-CB 3.15Å; R672-V676 WeakPolarHBondContact O-CG2 3.12Å; R672-V676 PolarHBondContact O-N 3.44Å; R673-V676 PolarHBondContact O-N 2.91Å; L674-V676 VanDerWaalsContact C-N 3.34Å; L674-V676 PolarHBondContact O-N 3.24Å; V676-A678 VanDerWaalsContact C-N 3.33Å; V676-A678 PolarHBondContact O-N 2.91Å; V676-A679 PolarHBondContact O-N 3.38Å; V676-I680 HydrophobicContact CG1-CD1 3.74Å; V676-I680 HydrophobicContact CG1-CG1 4.37Å; V676-I680 VanDerWaalsContact O-CG1 3.26Å; V676-I680 WeakPolarHBondContact O-CG1 3.45Å; V676-I680 PolarHBondContact O-N 3.31Å; V676-V699 HydrophobicContact CG1-CG1 4.41Å; V676-L703 HydrophobicContact CB-CD1 4.36Å; V676-L703 HydrophobicContact CG2-CD1 3.68Å; V676-F707 HydrophobicContact CG2-CE2 4.22Å; V676-F707 HydrophobicContact CG2-CZ 3.87Å; V676-P709 HydrophobicContact CG2-CB 4.22Å; V676-M713 HydrophobicContact CB-CE 4.43Å; V676-M713 HydrophobicContact CG2-CE 3.29Å; V676-M713 HydrophobicContact CG2-SD 4.38Å; V676-I714 HydrophobicContact CG1-CG1 4.29Å; V676-R717 HydrophobicContact CB-CG 4.17Å; V676-R717 HydrophobicContact CG1-CB 3.92Å; V676-R717 HydrophobicContact CG1-CG 3.76Å
677E96.3Very high94.1Very high21 Ų2155.8 Ų55.810%0.09827%0.272CS..Hα-helixtrans-59.4-45.6175.3-72.5-176.317900111.3R673 L674 A679 I680 V681 R717 S720 L721 R724R673-E677 WeakPolarHBondContact O-CG 2.83Å; R673-E677 PolarHBondContact O-N 2.82Å; R673-E677 VanDerWaalsContact O-N 3.09Å; L674-E677 PolarHBondContact O-N 2.9Å; E677-A679 VanDerWaalsContact C-N 3.32Å; E677-A679 PolarHBondContact O-N 3.43Å; E677-I680 PolarHBondContact O-N 2.76Å; E677-V681 WeakPolarHBondContact O-CG2 3.38Å; E677-V681 PolarHBondContact O-N 3.42Å; E677-R717 HydrophobicContact CG-CB 3.93Å; E677-R717 HydrophobicContact CG-CG 3.99Å; E677-R717 VanDerWaalsContact OE1-CD 3.29Å; E677-R717 WeakPolarHBondContact OE1-CD 3.45Å; E677-R717 IonicContact OE1-CZ 3.15Å; E677-R717 IonicContact OE1-NE 2.74Å; E677-R717 IonicContact OE1-NH1 2.72Å; E677-R717 PolarHBondContact OE1-NH1 3.36Å; E677-S720 PolarHBondContact OE1-OG 3.34Å; E677-S720 VanDerWaalsContact OE1-OG 3.11Å; E677-L721 HydrophobicContact CB-CD1 4.46Å; E677-L721 HydrophobicContact CG-CD1 4.44Å; E677-L721 HydrophobicContact CG-CG 4.47Å; E677-R724 IonicContact OE1-NH2 2.72Å; E677-R724 PolarHBondContact OE1-NH2 3.16Å; E677-R724 IonicContact OE2-CZ 3.78Å; E677-R724 IonicContact OE2-NH1 2.88Å; E677-R724 PolarHBondContact OE2-NH1 3.4Å; E677-R724 IonicContact OE2-NH2 2.72Å; E677-R724 PolarHBondContact OE2-NH2 3.04Å
678A95.5Very high94.6Very high45 Ų4557.1 Ų57.137%0.37228%0.278SS..Hα-helixtrans-62.4-37.8177.200000112.8L674 E675 V676 R682L674-A678 WeakPolarHBondContact O-CB 3.32Å; L674-A678 PolarHBondContact O-N 3.27Å; E675-A678 PolarHBondContact O-N 2.61Å; V676-A678 VanDerWaalsContact C-N 3.33Å; V676-A678 PolarHBondContact O-N 2.91Å; A678-R682 WeakPolarHBondContact O-CB 3.41Å; A678-R682 WeakPolarHBondContact O-CG 3.43Å; A678-R682 PolarHBondContact O-N 3.42Å; A678-R682 VanDerWaalsContact O-N 3.09Å
679A96.5Very high95.1Very high0 Ų059 Ų590%029%0.292CS..Hα-helixtrans-63.9-50.9174.300000111.5E675 V676 E677 V681 R682 I683 V699 Q702 L703E675-A679 WeakPolarHBondContact O-CB 3.44Å; E675-A679 PolarHBondContact O-N 2.96Å; V676-A679 PolarHBondContact O-N 3.38Å; E677-A679 VanDerWaalsContact C-N 3.32Å; E677-A679 PolarHBondContact O-N 3.43Å; A679-V681 PolarHBondContact O-N 3.04Å; A679-R682 PolarHBondContact O-N 2.81Å; A679-I683 WeakPolarHBondContact O-CG1 3.34Å; A679-I683 PolarHBondContact O-N 2.82Å; A679-V699 HydrophobicContact CB-CG1 4.44Å; A679-Q702 VanDerWaalsContact CA-OE1 3.29Å; A679-Q702 VanDerWaalsContact CB-OE1 3.23Å; A679-L703 HydrophobicContact CB-CD1 4.03Å; A679-L703 HydrophobicContact CB-CD2 4.2Å; A679-L703 HydrophobicContact CB-CG 4.1Å
680I97.8Very high95.5Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-56-50.5177.9-66.8161.6000110.4V676 E677 R682 I683 M684 L695 V699 I714 R717 I718 L721 L727V676-I680 HydrophobicContact CG1-CD1 3.74Å; V676-I680 HydrophobicContact CG1-CG1 4.37Å; V676-I680 VanDerWaalsContact O-CG1 3.26Å; V676-I680 WeakPolarHBondContact O-CG1 3.45Å; V676-I680 PolarHBondContact O-N 3.31Å; E677-I680 PolarHBondContact O-N 2.76Å; I680-R682 PolarHBondContact O-N 2.78Å; I680-I683 PolarHBondContact O-N 2.85Å; I680-M684 HydrophobicContact CG2-CG 4.17Å; I680-M684 WeakPolarHBondContact O-CB 3.12Å; I680-M684 WeakPolarHBondContact O-CG 3.33Å; I680-M684 PolarHBondContact O-N 3.29Å; I680-L695 HydrophobicContact CG2-CD2 4.41Å; I680-V699 HydrophobicContact CG1-CG2 3.7Å; I680-I714 HydrophobicContact CD1-CG2 4.18Å; I680-I714 HydrophobicContact CG1-CG2 4.47Å; I680-R717 HydrophobicContact CD1-CB 3.71Å; I680-I718 HydrophobicContact CD1-CG1 3.95Å; I680-I718 HydrophobicContact CG2-CG1 4.46Å; I680-L721 HydrophobicContact CB-CD1 3.78Å; I680-L721 HydrophobicContact CD1-CD1 4.11Å; I680-L721 HydrophobicContact CG2-CD1 3.5Å; I680-L721 VanDerWaalsContact CG2-CD1 3.5Å; I680-L727 HydrophobicContact CG2-CD1 3.74Å
681V97.2Very high95.9Very high31 Ų3159.7 Ų59.719%0.18829%0.286CS..Hα-helixtrans-61-43.3-178.9171.10000111.3E677 A679 K685 L721 Y726 Y739E677-V681 WeakPolarHBondContact O-CG2 3.38Å; E677-V681 PolarHBondContact O-N 3.42Å; A679-V681 PolarHBondContact O-N 3.04Å; V681-K685 WeakPolarHBondContact O-CB 3.35Å; V681-K685 PolarHBondContact O-N 3.43Å; V681-L721 HydrophobicContact CG2-CD1 4Å; V681-L721 HydrophobicContact CG2-CD2 3.61Å; V681-L721 HydrophobicContact CG2-CG 4.49Å; V681-Y726 HydrophobicContact CG2-CD1 4.27Å; V681-Y739 HydrophobicContact CG1-CE2 4.28Å
682R96.5Very high96.2Very high128 Ų12857.9 Ų57.948%0.48328%0.277SS..Hα-helixtrans-62.2-46177-80.4-173-62.8-1390.1112.5A678 A679 I680 A686A678-R682 WeakPolarHBondContact O-CB 3.41Å; A678-R682 WeakPolarHBondContact O-CG 3.43Å; A678-R682 PolarHBondContact O-N 3.42Å; A678-R682 VanDerWaalsContact O-N 3.09Å; A679-R682 PolarHBondContact O-N 2.81Å; I680-R682 PolarHBondContact O-N 2.78Å; R682-A686 PolarHBondContact O-N 3.47Å
683I97.6Very high96.4Very high12 Ų1260.9 Ų60.96%0.06230%0.296CS..Hα-helixtrans-63.1-51.2179.5-68.4162.2000109.8A679 I680 K685 A686 R687 L690 L695 E698 V699A679-I683 WeakPolarHBondContact O-CG1 3.34Å; A679-I683 PolarHBondContact O-N 2.82Å; I680-I683 PolarHBondContact O-N 2.85Å; I683-K685 PolarHBondContact O-N 2.7Å; I683-A686 PolarHBondContact O-N 3.47Å; I683-A686 VanDerWaalsContact O-N 3.13Å; I683-R687 HydrophobicContact CG2-CG 4.24Å; I683-R687 WeakPolarHBondContact O-CG 3.47Å; I683-R687 PolarHBondContact O-N 2.88Å; I683-L690 HydrophobicContact CG2-CD2 3.85Å; I683-L695 HydrophobicContact CB-CD1 4.3Å; I683-L695 HydrophobicContact CG2-CD1 3.81Å; I683-E698 HydrophobicContact CD1-CB 3.92Å; I683-E698 HydrophobicContact CG2-CB 4.2Å; I683-V699 HydrophobicContact CD1-CB 4.31Å; I683-V699 HydrophobicContact CD1-CG2 3.62Å
684M97.6Very high96.5Very high0 Ų058.4 Ų58.40%030%0.295CS..Hα-helixtrans-65.5-37-177.7-72.7-58-5900112.4I680 A686 K688 L690 L695 L727 Y737 Y739I680-M684 HydrophobicContact CG2-CG 4.17Å; I680-M684 WeakPolarHBondContact O-CB 3.12Å; I680-M684 WeakPolarHBondContact O-CG 3.33Å; I680-M684 PolarHBondContact O-N 3.29Å; M684-A686 VanDerWaalsContact C-N 3.27Å; M684-A686 PolarHBondContact O-N 3.35Å; M684-K688 WeakPolarHBondContact O-CA 3.26Å; M684-K688 PolarHBondContact O-N 3.14Å; M684-L690 HydrophobicContact CE-CB 4.46Å; M684-L690 HydrophobicContact SD-CB 3.75Å; M684-L695 HydrophobicContact CG-CD1 4.03Å; M684-L695 HydrophobicContact CG-CD2 4.27Å; M684-L695 HydrophobicContact SD-CD1 3.98Å; M684-L695 HydrophobicContact SD-CD2 4.02Å; M684-L727 HydrophobicContact CB-CD2 3.53Å; M684-L727 HydrophobicContact CE-CD2 3.96Å; M684-L727 HydrophobicContact CG-CD1 4.39Å; M684-L727 HydrophobicContact CG-CD2 3.56Å; M684-Y737 VanDerWaalsContact CE-O 3.31Å; M684-Y737 WeakPolarHBondContact CE-O 3.41Å; M684-Y739 HydrophobicContact CB-CD2 3.93Å; M684-Y739 HydrophobicContact CB-CG 4.39Å; M684-Y739 WeakPolarHBondContact O-CB 3.49Å
685K96.5Very high96.7Very high122 Ų12252.8 Ų52.853%0.5327%0.266SS..Hα-helixtrans-60.8-36.3173.8-176.6171.2-177.4171.40112.6V681 I683 K688 Y739V681-K685 WeakPolarHBondContact O-CB 3.35Å; V681-K685 PolarHBondContact O-N 3.43Å; I683-K685 PolarHBondContact O-N 2.7Å; K685-K688 WeakPolarHBondContact O-CD 3.42Å; K685-K688 VanDerWaalsContact O-CE 3.27Å; K685-K688 WeakPolarHBondContact O-CE 3.42Å; K685-K688 PolarHBondContact O-NZ 3.36Å; K685-Y739 HydrophobicContact CB-CD1 4.35Å; K685-Y739 HydrophobicContact CB-CD2 4.34Å; K685-Y739 HydrophobicContact CB-CE1 3.94Å; K685-Y739 HydrophobicContact CB-CE2 3.97Å; K685-Y739 HydrophobicContact CD-CE1 4.5Å; K685-Y739 HydrophobicContact CG-CE1 3.84Å
686A96.8Very high96.9Very high78 Ų7852.5 Ų52.565%0.64527%0.265SS*.Hα-helixtrans-79.2-45.717900000112.7R682 I683 M684R682-A686 PolarHBondContact O-N 3.47Å; I683-A686 PolarHBondContact O-N 3.47Å; I683-A686 VanDerWaalsContact O-N 3.13Å; M684-A686 VanDerWaalsContact C-N 3.27Å; M684-A686 PolarHBondContact O-N 3.35Å
687R96.3Very high96.9Very high145 Ų14557.1 Ų57.155%0.54729%0.293SS..Hα-helixtrans-81.2-23.4-176.1-62.3-62.4-171.8-161.9-3114I683 S689 L690 E698I683-R687 HydrophobicContact CG2-CG 4.24Å; I683-R687 WeakPolarHBondContact O-CG 3.47Å; I683-R687 PolarHBondContact O-N 2.88Å; R687-S689 PolarHBondContact O-N 3.05Å; R687-L690 HydrophobicContact CB-CB 4.49Å; R687-L690 HydrophobicContact CB-CD1 4.34Å; R687-L690 HydrophobicContact CG-CD1 4.24Å; R687-L690 HydrophobicContact CG-CD2 4.37Å; R687-E698 IonicContact CZ-OE1 2.76Å; R687-E698 IonicContact NE-OE1 3.38Å; R687-E698 PolarHBondContact NE-OE1 3.26Å; R687-E698 IonicContact NE-OE2 2.72Å; R687-E698 PolarHBondContact NE-OE2 2.92Å; R687-E698 IonicContact NH2-OE1 3.35Å; R687-E698 IonicContact NH2-OE2 2.89Å
688K95.9Very high96.9Very high119 Ų11959.1 Ų59.152%0.51730%0.302SS..SBendtrans64.2-43.5-174.2-54.1-57.6-173.7-168.70115.3M684 K685 R738 Y739M684-K688 WeakPolarHBondContact O-CA 3.26Å; M684-K688 PolarHBondContact O-N 3.14Å; K685-K688 WeakPolarHBondContact O-CD 3.42Å; K685-K688 VanDerWaalsContact O-CE 3.27Å; K685-K688 WeakPolarHBondContact O-CE 3.42Å; K685-K688 PolarHBondContact O-NZ 3.36Å; K688-R738 CarbonylContact O-C 3.5Å; K688-R738 WeakPolarHBondContact O-CA 3.49Å; K688-Y739 PolarHBondContact O-N 2.82Å
689S96.5Very high97Very high56 Ų5657 Ų5739%0.39229%0.285SS..EExtended strand (participates in β ladder)trans-137.3133.1175-178.40000109.3R687 V736 Y737R687-S689 PolarHBondContact O-N 3.05Å; S689-V736 VanDerWaalsContact OG-CG1 3.25Å; S689-V736 WeakPolarHBondContact OG-CG1 3.41Å; S689-Y737 VanDerWaalsContact CA-O 3.29Å; S689-Y737 WeakPolarHBondContact CA-O 3.22Å
690L97.2Very high97Very high24 Ų2459.3 Ų59.313%0.12630%0.297CS..EExtended strand (participates in β ladder)trans-150.8142.5179.9-156.966.3000111.2I683 M684 R687 A694 L695 Y737I683-L690 HydrophobicContact CG2-CD2 3.85Å; M684-L690 HydrophobicContact CE-CB 4.46Å; M684-L690 HydrophobicContact SD-CB 3.75Å; R687-L690 HydrophobicContact CB-CB 4.49Å; R687-L690 HydrophobicContact CB-CD1 4.34Å; R687-L690 HydrophobicContact CG-CD1 4.24Å; R687-L690 HydrophobicContact CG-CD2 4.37Å; L690-A694 HydrophobicContact CD1-CB 4.2Å; L690-A694 HydrophobicContact CG-CB 4.11Å; L690-L695 HydrophobicContact CD2-CB 3.82Å; L690-L695 HydrophobicContact CD2-CD1 4.01Å; L690-L695 HydrophobicContact CG-CB 4.36Å; L690-Y737 PolarHBondContact N-O 3.42Å; L690-Y737 PolarHBondContact O-N 3Å
691R97.5Very high96.8Very high128 Ų12861.1 Ų61.148%0.48332%0.315SS..EExtended strand (participates in β ladder)trans-76.6149.2175.7-158.6176.4-173.2-178.83.3110.8D693 A694 L695 K735 V736R691-D693 PolarHBondContact O-N 3.01Å; R691-A694 PolarHBondContact O-N 2.75Å; R691-A694 VanDerWaalsContact O-N 3.15Å; R691-L695 PolarHBondContact O-N 3.32Å; R691-K735 CarbonylContact C-O 3.27Å; R691-K735 WeakPolarHBondContact CA-O 3.38Å; R691-K735 HydrophobicContact CG-CB 4.28Å; R691-K735 WeakPolarHBondContact CG-O 3.47Å; R691-V736 HydrophobicContact CB-CG2 4.5Å; R691-V736 HydrophobicContact CG-CG2 4.29Å
692H97Very high96.6Very high38 Ų3863.7 Ų63.718%0.17633%0.326CS..Hα-helixtrans-50.9-52.1-175.2-17785.3000113.5A694 L695 I696 K735 Y737H692-A694 VanDerWaalsContact C-N 3.32Å; H692-A694 PolarHBondContact O-N 3.47Å; H692-L695 PolarHBondContact O-N 3.48Å; H692-I696 WeakPolarHBondContact NE2-CD1 3.28Å; H692-I696 PolarHBondContact O-N 2.84Å; H692-K735 PolarHBondContact N-O 3.49Å; H692-Y737 HydrophobicContact CB-CE2 3.81Å; H692-Y737 AromaticContact CG-CE2 3.99Å; H692-Y737 AromaticContact ND1-CE2 3.39Å; H692-Y737 WeakPolarHBondContact ND1-CE2 3.24Å; H692-Y737 AromaticContact ND1-CZ 3.6Å; H692-Y737 PolarHBondContact ND1-OH 3.5Å
693D96.6Very high96.4Very high94 Ų9458 Ų5850%0.50331%0.305SS..Hα-helixtrans-65.4-36.9-177.1-54.1-41000112R691 T697R691-D693 PolarHBondContact O-N 3.01Å; D693-T697 WeakPolarHBondContact O-CB 3.37Å; D693-T697 PolarHBondContact O-N 3.03Å; D693-T697 PolarHBondContact O-OG1 3.19Å
694A97.1Very high95.9Very high40 Ų4064 Ų6433%0.33133%0.33SS..Hα-helixtrans-68.5-41.3175.100000111.4L690 R691 H692 T697 E698L690-A694 HydrophobicContact CD1-CB 4.2Å; L690-A694 HydrophobicContact CG-CB 4.11Å; R691-A694 PolarHBondContact O-N 2.75Å; R691-A694 VanDerWaalsContact O-N 3.15Å; H692-A694 VanDerWaalsContact C-N 3.32Å; H692-A694 PolarHBondContact O-N 3.47Å; A694-T697 PolarHBondContact O-N 3.07Å; A694-E698 PolarHBondContact O-N 3.31Å
695L97.5Very high95.3Very high0 Ų065.7 Ų65.70%035%0.347CS..Hα-helixtrans-62.1-46.3175.6179.158.3000111.6I680 I683 M684 L690 R691 H692 T697 E698 V699 I718 Y737I680-L695 HydrophobicContact CG2-CD2 4.41Å; I683-L695 HydrophobicContact CB-CD1 4.3Å; I683-L695 HydrophobicContact CG2-CD1 3.81Å; M684-L695 HydrophobicContact CG-CD1 4.03Å; M684-L695 HydrophobicContact CG-CD2 4.27Å; M684-L695 HydrophobicContact SD-CD1 3.98Å; M684-L695 HydrophobicContact SD-CD2 4.02Å; L690-L695 HydrophobicContact CD2-CB 3.82Å; L690-L695 HydrophobicContact CD2-CD1 4.01Å; L690-L695 HydrophobicContact CG-CB 4.36Å; R691-L695 PolarHBondContact O-N 3.32Å; H692-L695 PolarHBondContact O-N 3.48Å; L695-T697 VanDerWaalsContact C-N 3.3Å; L695-T697 PolarHBondContact O-N 2.9Å; L695-E698 PolarHBondContact O-N 2.93Å; L695-V699 HydrophobicContact CD1-CG2 3.93Å; L695-V699 HydrophobicContact CG-CG2 4.36Å; L695-V699 WeakPolarHBondContact O-CB 3.44Å; L695-V699 WeakPolarHBondContact O-CG2 3.27Å; L695-V699 PolarHBondContact O-N 3.26Å; L695-I718 HydrophobicContact CD2-CD1 3.69Å; L695-I718 HydrophobicContact CD2-CG1 4.11Å; L695-I718 HydrophobicContact CG-CD1 4.42Å; L695-Y737 HydrophobicContact CD2-CD2 3.83Å; L695-Y737 HydrophobicContact CD2-CE2 4.3Å
696I97.2Very high95Very high22 Ų2262.6 Ų62.611%0.11333%0.332CS..Hα-helixtrans-57.5-46.9175.6-73.9-179.8000110.4H692 V699 I700 P711 I714H692-I696 WeakPolarHBondContact NE2-CD1 3.28Å; H692-I696 PolarHBondContact O-N 2.84Å; I696-V699 PolarHBondContact O-N 3.49Å; I696-I700 HydrophobicContact CG2-CD1 3.71Å; I696-I700 HydrophobicContact CG2-CG1 4.45Å; I696-I700 WeakPolarHBondContact O-CG1 3.31Å; I696-I700 PolarHBondContact O-N 2.91Å; I696-P711 HydrophobicContact CD1-CB 4.41Å; I696-I714 HydrophobicContact CG1-CG2 4.13Å; I696-I714 HydrophobicContact CG2-CD1 4.17Å
697T97.1Very high94.7Very high97 Ų9758.9 Ų58.960%0.59530%0.302SS*.Hα-helixtrans-62.2-45.2-179.9-56.40000111.8D693 A694 L695 G701D693-T697 WeakPolarHBondContact O-CB 3.37Å; D693-T697 PolarHBondContact O-N 3.03Å; D693-T697 PolarHBondContact O-OG1 3.19Å; A694-T697 PolarHBondContact O-N 3.07Å; L695-T697 VanDerWaalsContact C-N 3.3Å; L695-T697 PolarHBondContact O-N 2.9Å; T697-G701 PolarHBondContact O-N 3.41Å
698E97.4Very high94.4Very high62 Ų6255.5 Ų55.529%0.2930%0.297SS..Hα-helixtrans-65.7-39.2177.3-74.2-161-13800112.1I683 R687 A694 L695 G701 Q702I683-E698 HydrophobicContact CD1-CB 3.92Å; I683-E698 HydrophobicContact CG2-CB 4.2Å; R687-E698 IonicContact CZ-OE1 2.76Å; R687-E698 IonicContact NE-OE1 3.38Å; R687-E698 PolarHBondContact NE-OE1 3.26Å; R687-E698 IonicContact NE-OE2 2.72Å; R687-E698 PolarHBondContact NE-OE2 2.92Å; R687-E698 IonicContact NH2-OE1 3.35Å; R687-E698 IonicContact NH2-OE2 2.89Å; A694-E698 PolarHBondContact O-N 3.31Å; L695-E698 PolarHBondContact O-N 2.93Å; E698-G701 PolarHBondContact O-N 3.32Å; E698-Q702 WeakPolarHBondContact O-CB 3.4Å; E698-Q702 PolarHBondContact O-N 3.47Å
699V97.6Very high94.3Very high0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-65-46.9177.2171.60000111.2V676 A679 I680 I683 L695 I696 G701 Q702 L703 P709 I714V676-V699 HydrophobicContact CG1-CG1 4.41Å; A679-V699 HydrophobicContact CB-CG1 4.44Å; I680-V699 HydrophobicContact CG1-CG2 3.7Å; I683-V699 HydrophobicContact CD1-CB 4.31Å; I683-V699 HydrophobicContact CD1-CG2 3.62Å; L695-V699 HydrophobicContact CD1-CG2 3.93Å; L695-V699 HydrophobicContact CG-CG2 4.36Å; L695-V699 WeakPolarHBondContact O-CB 3.44Å; L695-V699 WeakPolarHBondContact O-CG2 3.27Å; L695-V699 PolarHBondContact O-N 3.26Å; I696-V699 PolarHBondContact O-N 3.49Å; V699-G701 VanDerWaalsContact C-N 3.31Å; V699-G701 PolarHBondContact O-N 2.9Å; V699-Q702 PolarHBondContact O-N 3.35Å; V699-L703 HydrophobicContact CG1-CD1 3.99Å; V699-L703 WeakPolarHBondContact O-CB 3.27Å; V699-L703 PolarHBondContact O-N 2.85Å; V699-P709 HydrophobicContact CG1-CG 4.5Å; V699-I714 HydrophobicContact CB-CD1 4.19Å; V699-I714 HydrophobicContact CB-CG2 4.44Å; V699-I714 HydrophobicContact CG1-CD1 3.83Å; V699-I714 HydrophobicContact CG1-CG1 4.02Å; V699-I714 HydrophobicContact CG1-CG2 4.25Å; V699-I714 HydrophobicContact CG2-CG2 4.44Å
700I96Very high94Very high49 Ų4953.5 Ų53.525%0.25128%0.282SS..Hα-helixtrans-59.8-45.6174.4-67.9169.1000109.6I696 Q702 L703 K704 P709 I714I696-I700 HydrophobicContact CG2-CD1 3.71Å; I696-I700 HydrophobicContact CG2-CG1 4.45Å; I696-I700 WeakPolarHBondContact O-CG1 3.31Å; I696-I700 PolarHBondContact O-N 2.91Å; I700-Q702 VanDerWaalsContact C-N 3.32Å; I700-Q702 PolarHBondContact O-N 3.17Å; I700-L703 PolarHBondContact O-N 3.4Å; I700-K704 WeakPolarHBondContact O-CB 3.22Å; I700-K704 PolarHBondContact O-N 3.46Å; I700-P709 HydrophobicContact CG1-CG 4.06Å; I700-I714 HydrophobicContact CD1-CD1 4.33Å; I700-I714 HydrophobicContact CG1-CD1 3.8Å
701G93.5Very high93.9Very high38 Ų3855.9 Ų55.939%0.39230%0.299SS..Hα-helixtrans-58.7-39.1178.400000113.7T697 E698 V699 K704T697-G701 PolarHBondContact O-N 3.41Å; E698-G701 PolarHBondContact O-N 3.32Å; V699-G701 VanDerWaalsContact C-N 3.31Å; V699-G701 PolarHBondContact O-N 2.9Å; G701-K704 WeakPolarHBondContact O-CG 3.39Å
702Q92.7Very high93.8Very high86 Ų8651.5 Ų51.540%0.40229%0.293SS..Hα-helixtrans-73.6-34.2177.9-170.8174.345.200112.6A679 E698 V699 I700A679-Q702 VanDerWaalsContact CA-OE1 3.29Å; A679-Q702 VanDerWaalsContact CB-OE1 3.23Å; E698-Q702 WeakPolarHBondContact O-CB 3.4Å; E698-Q702 PolarHBondContact O-N 3.47Å; V699-Q702 PolarHBondContact O-N 3.35Å; I700-Q702 VanDerWaalsContact C-N 3.32Å; I700-Q702 PolarHBondContact O-N 3.17Å
703L92.5Very high93.6Very high9 Ų950.8 Ų50.85%0.04729%0.29CS..Hα-helixtrans-95.7-17.6-173.4-67177.1000114.7V676 A679 V699 I700 G705 R706 F707 P709V676-L703 HydrophobicContact CB-CD1 4.36Å; V676-L703 HydrophobicContact CG2-CD1 3.68Å; A679-L703 HydrophobicContact CB-CD1 4.03Å; A679-L703 HydrophobicContact CB-CD2 4.2Å; A679-L703 HydrophobicContact CB-CG 4.1Å; V699-L703 HydrophobicContact CG1-CD1 3.99Å; V699-L703 WeakPolarHBondContact O-CB 3.27Å; V699-L703 PolarHBondContact O-N 2.85Å; I700-L703 PolarHBondContact O-N 3.4Å; L703-G705 PolarHBondContact O-N 3.38Å; L703-R706 PolarHBondContact O-N 3.39Å; L703-F707 CarbonylContact C-O 3.57Å; L703-F707 VanDerWaalsContact C-O 3.22Å; L703-F707 HydrophobicContact CD1-CZ 4.04Å; L703-F707 PolarHBondContact O-N 3.06Å; L703-F707 VanDerWaalsContact O-N 3.11Å; L703-P709 HydrophobicContact CB-CG 4.19Å; L703-P709 HydrophobicContact CD1-CG 4.04Å
704K88.3Confident93.6Very high137 Ų13746.3 Ų46.360%0.59627%0.266SS*.THydrogen-bonded Turntrans-51.8-25.1-176.171.8-178.3-178.7175.10115.4I700 G701 R706I700-K704 WeakPolarHBondContact O-CB 3.22Å; I700-K704 PolarHBondContact O-N 3.46Å; G701-K704 WeakPolarHBondContact O-CG 3.39Å; K704-R706 PolarHBondContact O-N 3.09Å
705G84.9Confident93.6Very high35 Ų3549.9 Ų49.936%0.36128%0.275SS..THydrogen-bonded Turntrans-72.1-14.4176.400000113.9K402 L703K402-G705 WeakPolarHBondContact CD-O 3.2Å; L703-G705 PolarHBondContact O-N 3.38Å
706R88.5Confident93.5Very high57 Ų5755.7 Ų55.722%0.21530%0.303CS..THydrogen-bonded Turntrans-118-49.3-179.8-60.1-168.973.4-161.7-2.2112.3K402 D403 E406 E675 L703 K704K402-R706 WeakPolarHBondContact CA-O 3.46Å; K402-R706 WeakPolarHBondContact CB-O 3.46Å; K402-R706 PolarHBondContact N-O 2.81Å; D403-R706 PolarHBondContact N-O 3.25Å; E406-R706 IonicContact OE2-NH2 2.73Å; E406-R706 PolarHBondContact OE2-NH2 3.41Å; E675-R706 IonicContact OE1-CZ 2.8Å; E675-R706 IonicContact OE1-NH1 3.63Å; E675-R706 PolarHBondContact OE1-NH1 3.09Å; E675-R706 IonicContact OE1-NH2 2.59Å; E675-R706 PolarHBondContact OE1-NH2 3.28Å; E675-R706 IonicContact OE2-CZ 3.96Å; E675-R706 IonicContact OE2-NE 3.3Å; E675-R706 IonicContact OE2-NH1 3.93Å; E675-R706 PolarHBondContact OE2-NH1 2.81Å; L703-R706 PolarHBondContact O-N 3.39Å; K704-R706 PolarHBondContact O-N 3.09Å
707F92Very high93.5Very high1 Ų156.8 Ų56.80%0.00431%0.306CS..  trans-159.3164174.568.4-85.3000109.9Q400 R672 E675 V676 L703 P709 M713Q400-F707 WeakPolarHBondContact O-CA 3.47Å; R672-F707 HydrophobicContact CB-CE1 4.3Å; R672-F707 HydrophobicContact CB-CE2 4.07Å; R672-F707 HydrophobicContact CB-CZ 3.81Å; R672-F707 HydrophobicContact CG-CD1 4.1Å; R672-F707 HydrophobicContact CG-CD2 4.16Å; R672-F707 HydrophobicContact CG-CE1 3.87Å; R672-F707 HydrophobicContact CG-CE2 3.92Å; R672-F707 HydrophobicContact CG-CG 4.24Å; R672-F707 HydrophobicContact CG-CZ 3.77Å; E675-F707 HydrophobicContact CB-CE1 4.33Å; V676-F707 HydrophobicContact CG2-CE2 4.22Å; V676-F707 HydrophobicContact CG2-CZ 3.87Å; L703-F707 CarbonylContact C-O 3.57Å; L703-F707 VanDerWaalsContact C-O 3.22Å; L703-F707 HydrophobicContact CD1-CZ 4.04Å; L703-F707 PolarHBondContact O-N 3.06Å; L703-F707 VanDerWaalsContact O-N 3.11Å; F707-P709 HydrophobicContact CD2-CB 4.46Å; F707-P709 HydrophobicContact CE2-CB 3.85Å; F707-P709 HydrophobicContact CE2-CG 4.38Å; F707-P709 VanDerWaalsContact O-CD 3.24Å; F707-P709 WeakPolarHBondContact O-CD 3.39Å; F707-M713 HydrophobicContact CE2-CE 3.79Å; F707-M713 HydrophobicContact CZ-CE 4.44Å
708V90.1Very high93.5Very high73 Ų7352.1 Ų52.144%0.44228%0.277SS..  trans-101102.8178.5-175.70000109.8F710V708-F710 PolarHBondContact O-N 3.21Å
709P92.4Very high93.5Very high2 Ų251.8 Ų51.81%0.01328%0.276CS..  trans-69.2128.5177.526.9-33.4000110.7V676 V699 I700 L703 F707 M713 I714V676-P709 HydrophobicContact CG2-CB 4.22Å; V699-P709 HydrophobicContact CG1-CG 4.5Å; I700-P709 HydrophobicContact CG1-CG 4.06Å; L703-P709 HydrophobicContact CB-CG 4.19Å; L703-P709 HydrophobicContact CD1-CG 4.04Å; F707-P709 HydrophobicContact CD2-CB 4.46Å; F707-P709 HydrophobicContact CE2-CB 3.85Å; F707-P709 HydrophobicContact CE2-CG 4.38Å; F707-P709 VanDerWaalsContact O-CD 3.24Å; F707-P709 WeakPolarHBondContact O-CD 3.39Å; P709-M713 HydrophobicContact CB-CE 3.43Å; P709-M713 VanDerWaalsContact CB-CE 3.43Å; P709-I714 HydrophobicContact CB-CD1 4.13Å; P709-I714 HydrophobicContact CB-CG1 4.02Å; P709-I714 HydrophobicContact CG-CD1 4.07Å; P709-I714 HydrophobicContact CG-CG1 4.42Å
710F91.6Very high93.4Very high131 Ų13153 Ų5358%0.57528%0.284SS*.  trans-73146.2173.564.7-88.5000111.1V708 G712 M713 I714V708-F710 PolarHBondContact O-N 3.21Å; F710-G712 PolarHBondContact O-N 3.33Å; F710-G712 VanDerWaalsContact O-N 3.11Å; F710-M713 HydrophobicContact CD1-CB 4.09Å; F710-M713 HydrophobicContact CD2-CB 4.12Å; F710-M713 VanDerWaalsContact CD2-N 3.35Å; F710-M713 HydrophobicContact CE1-CB 3.77Å; F710-M713 HydrophobicContact CE1-SD 4.46Å; F710-M713 HydrophobicContact CE2-CB 3.81Å; F710-M713 HydrophobicContact CG-CB 4.26Å; F710-M713 HydrophobicContact CZ-CB 3.63Å; F710-M713 WeakPolarHBondContact O-CB 3.41Å; F710-M713 PolarHBondContact O-N 3.32Å; F710-I714 PolarHBondContact O-N 2.92Å
711P94Very high93.5Very high75 Ų7550.8 Ų50.849%0.48727%0.273SS..Hα-helixtrans-54.2-36.1-174-30.136.2000114.8I696 M713 I714 K715I696-P711 HydrophobicContact CD1-CB 4.41Å; P711-M713 VanDerWaalsContact C-N 3.34Å; P711-M713 PolarHBondContact O-N 2.91Å; P711-I714 PolarHBondContact O-N 3.23Å; P711-K715 PolarHBondContact O-N 3.14Å
712G95.1Very high93.6Very high36 Ų3650.6 Ų50.637%0.37126%0.262SS..Hα-helixtrans-59.8-39.8176.800000113.5F710 K715 M716F710-G712 PolarHBondContact O-N 3.33Å; F710-G712 VanDerWaalsContact O-N 3.11Å; G712-K715 PolarHBondContact O-N 2.99Å; G712-M716 WeakPolarHBondContact O-CG 3.43Å; G712-M716 PolarHBondContact O-N 3.4Å
713M94.2Very high93.8Very high22 Ų2252.5 Ų52.511%0.10828%0.276CS..Hα-helixtrans-66.1-44177.6-173.1176.963.900111.2V676 F707 P709 F710 P711 K715 M716 R717V676-M713 HydrophobicContact CB-CE 4.43Å; V676-M713 HydrophobicContact CG2-CE 3.29Å; V676-M713 HydrophobicContact CG2-SD 4.38Å; F707-M713 HydrophobicContact CE2-CE 3.79Å; F707-M713 HydrophobicContact CZ-CE 4.44Å; P709-M713 HydrophobicContact CB-CE 3.43Å; P709-M713 VanDerWaalsContact CB-CE 3.43Å; F710-M713 HydrophobicContact CD1-CB 4.09Å; F710-M713 HydrophobicContact CD2-CB 4.12Å; F710-M713 VanDerWaalsContact CD2-N 3.35Å; F710-M713 HydrophobicContact CE1-CB 3.77Å; F710-M713 HydrophobicContact CE1-SD 4.46Å; F710-M713 HydrophobicContact CE2-CB 3.81Å; F710-M713 HydrophobicContact CG-CB 4.26Å; F710-M713 HydrophobicContact CZ-CB 3.63Å; F710-M713 WeakPolarHBondContact O-CB 3.41Å; F710-M713 PolarHBondContact O-N 3.32Å; P711-M713 VanDerWaalsContact C-N 3.34Å; P711-M713 PolarHBondContact O-N 2.91Å; M713-K715 VanDerWaalsContact C-N 3.31Å; M713-K715 PolarHBondContact O-N 3.48Å; M713-M716 PolarHBondContact O-N 2.89Å; M713-R717 WeakPolarHBondContact O-CG 3.17Å; M713-R717 PolarHBondContact O-N 3.14Å
714I96.9Very high94Very high0 Ų057.3 Ų57.30%029%0.293CS..Hα-helixtrans-60.2-45.9178.3-57171.8000109.3V676 I680 I696 V699 I700 P709 F710 P711 M716 R717 I718V676-I714 HydrophobicContact CG1-CG1 4.29Å; I680-I714 HydrophobicContact CD1-CG2 4.18Å; I680-I714 HydrophobicContact CG1-CG2 4.47Å; I696-I714 HydrophobicContact CG1-CG2 4.13Å; I696-I714 HydrophobicContact CG2-CD1 4.17Å; V699-I714 HydrophobicContact CB-CD1 4.19Å; V699-I714 HydrophobicContact CB-CG2 4.44Å; V699-I714 HydrophobicContact CG1-CD1 3.83Å; V699-I714 HydrophobicContact CG1-CG1 4.02Å; V699-I714 HydrophobicContact CG1-CG2 4.25Å; V699-I714 HydrophobicContact CG2-CG2 4.44Å; I700-I714 HydrophobicContact CD1-CD1 4.33Å; I700-I714 HydrophobicContact CG1-CD1 3.8Å; P709-I714 HydrophobicContact CB-CD1 4.13Å; P709-I714 HydrophobicContact CB-CG1 4.02Å; P709-I714 HydrophobicContact CG-CD1 4.07Å; P709-I714 HydrophobicContact CG-CG1 4.42Å; F710-I714 PolarHBondContact O-N 2.92Å; P711-I714 PolarHBondContact O-N 3.23Å; I714-M716 PolarHBondContact O-N 2.82Å; I714-R717 PolarHBondContact O-N 3.2Å; I714-R717 VanDerWaalsContact O-N 3.12Å; I714-I718 HydrophobicContact CG2-CD1 4Å; I714-I718 HydrophobicContact CG2-CG1 4.44Å; I714-I718 WeakPolarHBondContact O-CG1 3.41Å; I714-I718 PolarHBondContact O-N 3.41Å
715K95.9Very high94.3Very high116 Ų11656.9 Ų56.950%0.50430%0.297SS..Hα-helixtrans-57-49.7176.1-174.3-179.8177.6-177.40112P711 G712 M713 R717 I718 E719P711-K715 PolarHBondContact O-N 3.14Å; G712-K715 PolarHBondContact O-N 2.99Å; M713-K715 VanDerWaalsContact C-N 3.31Å; M713-K715 PolarHBondContact O-N 3.48Å; K715-R717 PolarHBondContact O-N 3.24Å; K715-I718 PolarHBondContact O-N 3.45Å; K715-I718 VanDerWaalsContact O-N 3.13Å; K715-E719 WeakPolarHBondContact O-CG 3.33Å; K715-E719 PolarHBondContact O-N 2.96Å; K715-E719 VanDerWaalsContact O-N 3.08Å
716M96.5Very high94.8Very high121 Ų12159.8 Ų59.860%0.59630%0.298SS*.Hα-helixtrans-58.8-35177.4-71.9178.171.600112.7G712 M713 I714 S720G712-M716 WeakPolarHBondContact O-CG 3.43Å; G712-M716 PolarHBondContact O-N 3.4Å; M713-M716 PolarHBondContact O-N 2.89Å; I714-M716 PolarHBondContact O-N 2.82Å; M716-S720 PolarHBondContact O-N 2.9Å
717R96.7Very high95.1Very high45 Ų4557.1 Ų57.117%0.1729%0.288CS..Hα-helixtrans-74.9-33.6177.3-66.9-53.592.2-167.72.5112.7V676 E677 I680 M713 I714 K715 S720 L721V676-R717 HydrophobicContact CB-CG 4.17Å; V676-R717 HydrophobicContact CG1-CB 3.92Å; V676-R717 HydrophobicContact CG1-CG 3.76Å; E677-R717 HydrophobicContact CG-CB 3.93Å; E677-R717 HydrophobicContact CG-CG 3.99Å; E677-R717 VanDerWaalsContact OE1-CD 3.29Å; E677-R717 WeakPolarHBondContact OE1-CD 3.45Å; E677-R717 IonicContact OE1-CZ 3.15Å; E677-R717 IonicContact OE1-NE 2.74Å; E677-R717 IonicContact OE1-NH1 2.72Å; E677-R717 PolarHBondContact OE1-NH1 3.36Å; I680-R717 HydrophobicContact CD1-CB 3.71Å; M713-R717 WeakPolarHBondContact O-CG 3.17Å; M713-R717 PolarHBondContact O-N 3.14Å; I714-R717 PolarHBondContact O-N 3.2Å; I714-R717 VanDerWaalsContact O-N 3.12Å; K715-R717 PolarHBondContact O-N 3.24Å; R717-S720 PolarHBondContact O-N 3.2Å; R717-L721 WeakPolarHBondContact O-CG 3.32Å; R717-L721 PolarHBondContact O-N 3.07Å
718I97.1Very high95.3Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-61.7-47.5172.1-68.2165.5000110.3I680 L695 I714 K715 S720 L721 I722 L727 Y737I680-I718 HydrophobicContact CD1-CG1 3.95Å; I680-I718 HydrophobicContact CG2-CG1 4.46Å; L695-I718 HydrophobicContact CD2-CD1 3.69Å; L695-I718 HydrophobicContact CD2-CG1 4.11Å; L695-I718 HydrophobicContact CG-CD1 4.42Å; I714-I718 HydrophobicContact CG2-CD1 4Å; I714-I718 HydrophobicContact CG2-CG1 4.44Å; I714-I718 WeakPolarHBondContact O-CG1 3.41Å; I714-I718 PolarHBondContact O-N 3.41Å; K715-I718 PolarHBondContact O-N 3.45Å; K715-I718 VanDerWaalsContact O-N 3.13Å; I718-S720 PolarHBondContact O-N 3.38Å; I718-L721 PolarHBondContact O-N 2.74Å; I718-I722 HydrophobicContact CG2-CD1 3.94Å; I718-I722 HydrophobicContact CG2-CG1 4.45Å; I718-I722 WeakPolarHBondContact O-CG1 3.46Å; I718-I722 PolarHBondContact O-N 3.2Å; I718-L727 HydrophobicContact CG2-CD1 4.33Å; I718-Y737 HydrophobicContact CD1-CE2 4.08Å; I718-Y737 HydrophobicContact CG2-CD1 4.16Å; I718-Y737 HydrophobicContact CG2-CE1 3.69Å; I718-Y737 HydrophobicContact CG2-CE2 4.08Å
719E96.7Very high95.6Very high54 Ų5460.7 Ų60.725%0.25230%0.3SS..Hα-helixtrans-59.8-46.6177.7-58.8-57.3134.600111.3K715 L721 I722 D723 R729K715-E719 WeakPolarHBondContact O-CG 3.33Å; K715-E719 PolarHBondContact O-N 2.96Å; K715-E719 VanDerWaalsContact O-N 3.08Å; E719-L721 PolarHBondContact O-N 3.38Å; E719-I722 PolarHBondContact O-N 3.48Å; E719-D723 PolarHBondContact O-N 3.35Å; E719-R729 IonicContact OE1-CZ 3.87Å; E719-R729 IonicContact OE1-NH2 2.75Å; E719-R729 PolarHBondContact OE1-NH2 3.48Å; E719-R729 IonicContact OE2-CZ 3.57Å; E719-R729 IonicContact OE2-NH2 3.46Å; E719-R729 PolarHBondContact OE2-NH2 3.24Å
720S96.6Very high95.7Very high26 Ų2661.6 Ų61.618%0.18230%0.304CS..Hα-helixtrans-55.4-33.7173170.30000113.7E677 M716 R717 I718 R724E677-S720 PolarHBondContact OE1-OG 3.34Å; E677-S720 VanDerWaalsContact OE1-OG 3.11Å; M716-S720 PolarHBondContact O-N 2.9Å; R717-S720 PolarHBondContact O-N 3.2Å; I718-S720 PolarHBondContact O-N 3.38Å; S720-R724 WeakPolarHBondContact O-CG 3.2Å; S720-R724 PolarHBondContact O-N 3.01Å; S720-R724 PolarHBondContact O-NE 2.93Å; S720-R724 PolarHBondContact OG-NH2 3.41Å
721L97.3Very high95.7Very high3 Ų359.9 Ų59.92%0.01632%0.315CS..Hα-helixtrans-81.3-26.3177.9-75167.5000112.7E677 I680 V681 R717 I718 E719 R724 D725 Y726 L727E677-L721 HydrophobicContact CB-CD1 4.46Å; E677-L721 HydrophobicContact CG-CD1 4.44Å; E677-L721 HydrophobicContact CG-CG 4.47Å; I680-L721 HydrophobicContact CB-CD1 3.78Å; I680-L721 HydrophobicContact CD1-CD1 4.11Å; I680-L721 HydrophobicContact CG2-CD1 3.5Å; I680-L721 VanDerWaalsContact CG2-CD1 3.5Å; V681-L721 HydrophobicContact CG2-CD1 4Å; V681-L721 HydrophobicContact CG2-CD2 3.61Å; V681-L721 HydrophobicContact CG2-CG 4.49Å; R717-L721 WeakPolarHBondContact O-CG 3.32Å; R717-L721 PolarHBondContact O-N 3.07Å; I718-L721 PolarHBondContact O-N 2.74Å; E719-L721 PolarHBondContact O-N 3.38Å; L721-R724 VanDerWaalsContact CD2-NH2 3.26Å; L721-D725 PolarHBondContact O-N 3.31Å; L721-Y726 HydrophobicContact CD2-CD2 4.08Å; L721-Y726 HydrophobicContact CD2-CG 4Å; L721-Y726 WeakPolarHBondContact O-CB 3.4Å; L721-Y726 PolarHBondContact O-N 3.06Å; L721-L727 HydrophobicContact CB-CD1 3.85Å; L721-L727 HydrophobicContact CB-CG 4.09Å; L721-L727 HydrophobicContact CD1-CD1 4.18Å; L721-L727 PolarHBondContact O-N 3.44Å
722I96.5Very high95.6Very high33 Ų3366 Ų6617%0.16933%0.334CS..Hα-helixtrans-71-46.5171.3-66.9167.1000109.9I718 E719 R724 D725 L727 R729 Y737I718-I722 HydrophobicContact CG2-CD1 3.94Å; I718-I722 HydrophobicContact CG2-CG1 4.45Å; I718-I722 WeakPolarHBondContact O-CG1 3.46Å; I718-I722 PolarHBondContact O-N 3.2Å; E719-I722 PolarHBondContact O-N 3.48Å; I722-R724 PolarHBondContact O-N 3.19Å; I722-R724 VanDerWaalsContact O-N 3.09Å; I722-D725 PolarHBondContact O-N 3.15Å; I722-L727 WeakPolarHBondContact CA-O 3.31Å; I722-L727 HydrophobicContact CG1-CB 3.84Å; I722-R729 HydrophobicContact CD1-CG 4.17Å; I722-Y737 HydrophobicContact CD1-CD1 4.17Å; I722-Y737 HydrophobicContact CD1-CE1 3.96Å
723D96.3Very high95.5Very high127 Ų12767 Ų6768%0.67933%0.33SS*.THydrogen-bonded Turntrans-61.4-21.5178.8-65.9-19.7000113.1E719E719-D723 PolarHBondContact O-N 3.35Å
724R95.9Very high95.4Very high110 Ų11072.4 Ų72.442%0.41536%0.355SS..THydrogen-bonded Turntrans-102.214.8176.7-66.5-178.4-65.5167.2-0.6113.3E677 S720 L721 I722 Y726E677-R724 IonicContact OE1-NH2 2.72Å; E677-R724 PolarHBondContact OE1-NH2 3.16Å; E677-R724 IonicContact OE2-CZ 3.78Å; E677-R724 IonicContact OE2-NH1 2.88Å; E677-R724 PolarHBondContact OE2-NH1 3.4Å; E677-R724 IonicContact OE2-NH2 2.72Å; E677-R724 PolarHBondContact OE2-NH2 3.04Å; S720-R724 WeakPolarHBondContact O-CG 3.2Å; S720-R724 PolarHBondContact O-N 3.01Å; S720-R724 PolarHBondContact O-NE 2.93Å; S720-R724 PolarHBondContact OG-NH2 3.41Å; L721-R724 VanDerWaalsContact CD2-NH2 3.26Å; I722-R724 PolarHBondContact O-N 3.19Å; I722-R724 VanDerWaalsContact O-N 3.09Å; R724-Y726 HydrophobicContact CB-CD2 3.84Å; R724-Y726 HydrophobicContact CB-CE2 4.16Å; R724-Y726 VanDerWaalsContact O-CD2 3.31Å; R724-Y726 WeakPolarHBondContact O-CD2 3.48Å; R724-Y726 PolarHBondContact O-N 3.47Å; R724-Y726 VanDerWaalsContact O-N 3.1Å
725D94.4Very high95.2Very high127 Ų12778 Ų7868%0.67938%0.379SS*.THydrogen-bonded Turntrans58.720.7177.2-61.8-51.3000115.7L721 I722L721-D725 PolarHBondContact O-N 3.31Å; I722-D725 PolarHBondContact O-N 3.15Å
726Y95.5Very high95.3Very high96 Ų9673.5 Ų73.538%0.37636%0.362SS..SBendtrans-78.1-32.2171.1-77.8-91.5000111.9V681 L721 R724 V740 A741V681-Y726 HydrophobicContact CG2-CD1 4.27Å; L721-Y726 HydrophobicContact CD2-CD2 4.08Å; L721-Y726 HydrophobicContact CD2-CG 4Å; L721-Y726 WeakPolarHBondContact O-CB 3.4Å; L721-Y726 PolarHBondContact O-N 3.06Å; R724-Y726 HydrophobicContact CB-CD2 3.84Å; R724-Y726 HydrophobicContact CB-CE2 4.16Å; R724-Y726 VanDerWaalsContact O-CD2 3.31Å; R724-Y726 WeakPolarHBondContact O-CD2 3.48Å; R724-Y726 PolarHBondContact O-N 3.47Å; R724-Y726 VanDerWaalsContact O-N 3.1Å; Y726-V740 PolarHBondContact O-N 3.49Å; Y726-A741 HydrophobicContact CD1-CB 3.8Å; Y726-A741 HydrophobicContact CE1-CB 4.27Å; Y726-A741 HydrophobicContact CG-CB 4.41Å
727L96.3Very high95.3Very high2 Ų268.2 Ų68.21%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-130.2153.7-179.1-58.3177.3000110.5I680 M684 I718 L721 I722 R738 Y739I680-L727 HydrophobicContact CG2-CD1 3.74Å; M684-L727 HydrophobicContact CB-CD2 3.53Å; M684-L727 HydrophobicContact CE-CD2 3.96Å; M684-L727 HydrophobicContact CG-CD1 4.39Å; M684-L727 HydrophobicContact CG-CD2 3.56Å; I718-L727 HydrophobicContact CG2-CD1 4.33Å; L721-L727 HydrophobicContact CB-CD1 3.85Å; L721-L727 HydrophobicContact CB-CG 4.09Å; L721-L727 HydrophobicContact CD1-CD1 4.18Å; L721-L727 PolarHBondContact O-N 3.44Å; I722-L727 WeakPolarHBondContact CA-O 3.31Å; I722-L727 HydrophobicContact CG1-CB 3.84Å; L727-R738 CarbonylContact C-O 3.37Å; L727-R738 VanDerWaalsContact CA-O 3.31Å; L727-R738 WeakPolarHBondContact CA-O 3.33Å; L727-Y739 HydrophobicContact CD2-CD2 4.07Å
728S95.7Very high95.3Very high40 Ų4071.6 Ų71.628%0.2835%0.348SS..EExtended strand (participates in β ladder)trans-135155.816955.90000109.9Y737 R738 V740S728-Y737 CarbonylContact O-C 3.48Å; S728-Y737 WeakPolarHBondContact O-CA 3.34Å; S728-R738 PolarHBondContact N-O 3.01Å; S728-R738 PolarHBondContact O-N 3.42Å; S728-V740 VanDerWaalsContact N-CG2 3.32Å; S728-V740 WeakPolarHBondContact OG-CG2 3.33Å
729R96Very high95.3Very high108 Ų10873.3 Ų73.341%0.40836%0.355SS..EExtended strand (participates in β ladder)trans-80.6142.8170.2-66.7-175.7-176.5136.33109.4E719 I722 Y737E719-R729 IonicContact OE1-CZ 3.87Å; E719-R729 IonicContact OE1-NH2 2.75Å; E719-R729 PolarHBondContact OE1-NH2 3.48Å; E719-R729 IonicContact OE2-CZ 3.57Å; E719-R729 IonicContact OE2-NH2 3.46Å; E719-R729 PolarHBondContact OE2-NH2 3.24Å; I722-R729 HydrophobicContact CD1-CG 4.17Å; R729-Y737 HydrophobicContact CG-CD1 4.01Å; R729-Y737 HydrophobicContact CG-CE1 3.92Å
730D94.7Very high95.1Very high21 Ų2174.9 Ų74.911%0.11237%0.368CS..  trans-60.4140.2172.2-165.4-66.7000110.1K732 D733 V736 R738D730-K732 PolarHBondContact O-N 2.62Å; D730-K732 PolarHBondContact OD1-N 3.2Å; D730-D733 WeakPolarHBondContact CB-O 3.43Å; D730-V736 HydrophobicContact CB-CB 3.77Å; D730-V736 HydrophobicContact CB-CG1 3.99Å; D730-V736 PolarHBondContact N-O 3.48Å; D730-R738 IonicContact OD1-NH2 2.61Å; D730-R738 PolarHBondContact OD1-NH2 3.15Å; D730-R738 IonicContact OD2-CZ 3.41Å; D730-R738 IonicContact OD2-NE 3.93Å; D730-R738 PolarHBondContact OD2-NE 3.37Å; D730-R738 IonicContact OD2-NH2 3.88Å; D730-R738 PolarHBondContact OD2-NH2 2.83Å
731A90.8Very high94.5Very high96 Ų9678.1 Ų78.179%0.79340%0.396SS*.SBendtrans-66.7-24.9-178.800000113.1
732K92.3Very high94.4Very high203 Ų20381.9 Ų81.988%0.88342%0.415SS*.SBendtrans-98-32.4-178.4-63.9-175.2179.9-177.40113.3D730D730-K732 PolarHBondContact O-N 2.62Å; D730-K732 PolarHBondContact OD1-N 3.2Å
733D93.7Very high94.3Very high57 Ų5784.5 Ų84.531%0.30543%0.428SS..  trans-136.6107.4-179.5-175.7-0.9000111.2D730 K735 V736D730-D733 WeakPolarHBondContact CB-O 3.43Å; D733-K735 PolarHBondContact O-N 3.41Å; D733-K735 VanDerWaalsContact OD1-CB 3.29Å; D733-K735 WeakPolarHBondContact OD1-CB 3.46Å; D733-K735 PolarHBondContact OD1-N 3Å; D733-V736 HydrophobicContact CB-CB 4.49Å; D733-V736 HydrophobicContact CB-CG2 4.07Å; D733-V736 PolarHBondContact O-N 3.36Å
734H90.7Very high94.2Very high135 Ų13582.1 Ų82.163%0.62541%0.414SS*.THydrogen-bonded Turntrans-61.9-14.6177.4-71.2-56.3000114.5
735K94.4Very high94.1Very high117 Ų11780.5 Ų80.551%0.50941%0.414SS..THydrogen-bonded Turntrans-80.1-5.4172.4-61.1-174.3176.6-173.80112.7R691 H692 D733R691-K735 CarbonylContact C-O 3.27Å; R691-K735 WeakPolarHBondContact CA-O 3.38Å; R691-K735 HydrophobicContact CG-CB 4.28Å; R691-K735 WeakPolarHBondContact CG-O 3.47Å; H692-K735 PolarHBondContact N-O 3.49Å; D733-K735 PolarHBondContact O-N 3.41Å; D733-K735 VanDerWaalsContact OD1-CB 3.29Å; D733-K735 WeakPolarHBondContact OD1-CB 3.46Å; D733-K735 PolarHBondContact OD1-N 3Å
736V96.6Very high94Very high23 Ų2377.6 Ų77.614%0.13940%0.398CS..EExtended strand (participates in β ladder)trans-106.6130.6176.6179.50000109.2S689 R691 D730 D733S689-V736 VanDerWaalsContact OG-CG1 3.25Å; S689-V736 WeakPolarHBondContact OG-CG1 3.41Å; R691-V736 HydrophobicContact CB-CG2 4.5Å; R691-V736 HydrophobicContact CG-CG2 4.29Å; D730-V736 HydrophobicContact CB-CB 3.77Å; D730-V736 HydrophobicContact CB-CG1 3.99Å; D730-V736 PolarHBondContact N-O 3.48Å; D733-V736 HydrophobicContact CB-CB 4.49Å; D733-V736 HydrophobicContact CB-CG2 4.07Å; D733-V736 PolarHBondContact O-N 3.36Å
737Y97.4Very high93.9Very high10 Ų1076.3 Ų76.34%0.03940%0.399CS..EExtended strand (participates in β ladder)trans-104.6146.5173.4-57-67.5000110M684 S689 L690 H692 L695 I718 I722 S728 R729M684-Y737 VanDerWaalsContact CE-O 3.31Å; M684-Y737 WeakPolarHBondContact CE-O 3.41Å; S689-Y737 VanDerWaalsContact CA-O 3.29Å; S689-Y737 WeakPolarHBondContact CA-O 3.22Å; L690-Y737 PolarHBondContact N-O 3.42Å; L690-Y737 PolarHBondContact O-N 3Å; H692-Y737 HydrophobicContact CB-CE2 3.81Å; H692-Y737 AromaticContact CG-CE2 3.99Å; H692-Y737 AromaticContact ND1-CE2 3.39Å; H692-Y737 WeakPolarHBondContact ND1-CE2 3.24Å; H692-Y737 AromaticContact ND1-CZ 3.6Å; H692-Y737 PolarHBondContact ND1-OH 3.5Å; L695-Y737 HydrophobicContact CD2-CD2 3.83Å; L695-Y737 HydrophobicContact CD2-CE2 4.3Å; I718-Y737 HydrophobicContact CD1-CE2 4.08Å; I718-Y737 HydrophobicContact CG2-CD1 4.16Å; I718-Y737 HydrophobicContact CG2-CE1 3.69Å; I718-Y737 HydrophobicContact CG2-CE2 4.08Å; I722-Y737 HydrophobicContact CD1-CD1 4.17Å; I722-Y737 HydrophobicContact CD1-CE1 3.96Å; S728-Y737 CarbonylContact O-C 3.48Å; S728-Y737 WeakPolarHBondContact O-CA 3.34Å; R729-Y737 HydrophobicContact CG-CD1 4.01Å; R729-Y737 HydrophobicContact CG-CE1 3.92Å
738R96.2Very high93.8Very high115 Ų11581.6 Ų81.643%0.43443%0.427SS..EExtended strand (participates in β ladder)trans-119.5140.1173.3-63.2-176.2-176177.51109.8K688 L727 S728 D730K688-R738 CarbonylContact O-C 3.5Å; K688-R738 WeakPolarHBondContact O-CA 3.49Å; L727-R738 CarbonylContact C-O 3.37Å; L727-R738 VanDerWaalsContact CA-O 3.31Å; L727-R738 WeakPolarHBondContact CA-O 3.33Å; S728-R738 PolarHBondContact N-O 3.01Å; S728-R738 PolarHBondContact O-N 3.42Å; D730-R738 IonicContact OD1-NH2 2.61Å; D730-R738 PolarHBondContact OD1-NH2 3.15Å; D730-R738 IonicContact OD2-CZ 3.41Å; D730-R738 IonicContact OD2-NE 3.93Å; D730-R738 PolarHBondContact OD2-NE 3.37Å; D730-R738 IonicContact OD2-NH2 3.88Å; D730-R738 PolarHBondContact OD2-NH2 2.83Å
739Y96.5Very high93.6Very high37 Ų3784.8 Ų84.815%0.14544%0.438CS..EExtended strand (participates in β ladder)trans-81.7131.1173.9-178-103.6000110.3V681 M684 K685 K688 L727 A741V681-Y739 HydrophobicContact CG1-CE2 4.28Å; M684-Y739 HydrophobicContact CB-CD2 3.93Å; M684-Y739 HydrophobicContact CB-CG 4.39Å; M684-Y739 WeakPolarHBondContact O-CB 3.49Å; K685-Y739 HydrophobicContact CB-CD1 4.35Å; K685-Y739 HydrophobicContact CB-CD2 4.34Å; K685-Y739 HydrophobicContact CB-CE1 3.94Å; K685-Y739 HydrophobicContact CB-CE2 3.97Å; K685-Y739 HydrophobicContact CD-CE1 4.5Å; K685-Y739 HydrophobicContact CG-CE1 3.84Å; K688-Y739 PolarHBondContact O-N 2.82Å; L727-Y739 HydrophobicContact CD2-CD2 4.07Å; Y739-A741 WeakPolarHBondContact CE1-O 3.43Å; Y739-A741 HydrophobicContact CE2-CB 4.32Å; Y739-A741 VanDerWaalsContact CZ-O 3.22Å; Y739-A741 PolarHBondContact OH-O 3.24Å; Y739-A741 VanDerWaalsContact OH-O 3.06Å
740V92.4Very high93.4Very high87 Ų8782.9 Ų82.953%0.52744%0.441SS..  trans-119-14.2-169.1-132.40000114.4Y726 S728Y726-V740 PolarHBondContact O-N 3.49Å; S728-V740 VanDerWaalsContact N-CG2 3.32Å; S728-V740 WeakPolarHBondContact OG-CG2 3.33Å
741A85.4Confident93.3Very high94 Ų9488.5 Ų88.578%0.77747%0.471SS*.  trans-930-172.400000116.3Y726 Y739Y726-A741 HydrophobicContact CD1-CB 3.8Å; Y726-A741 HydrophobicContact CE1-CB 4.27Å; Y726-A741 HydrophobicContact CG-CB 4.41Å; Y739-A741 WeakPolarHBondContact CE1-O 3.43Å; Y739-A741 HydrophobicContact CE2-CB 4.32Å; Y739-A741 VanDerWaalsContact CZ-O 3.22Å; Y739-A741 PolarHBondContact OH-O 3.24Å; Y739-A741 VanDerWaalsContact OH-O 3.06Å

Retrieved 741 of 741 residues in 504.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).