A0A060W6P0_ONCMY Loading...

Phosphatidic acid phosphatase type 2/haloperoxidase domain-containing protein

AlphaFold DB , UniProt , Accession A0A060W6P0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110525801, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.9Very low64.6Low224 Ų224127.9 Ų127.9100%1.10364%0.64SS**  0-52.20-128.2164.472.800114.2R3 G4 L5M1-R3 PolarHBondContact O-N 3.02Å; M1-G4 PolarHBondContact O-N 3.3Å; M1-L5 PolarHBondContact O-N 3.48Å
2K49.4Very low66.9Low183 Ų183123 Ų12380%0.79661%0.614SS**Hα-helixtrans-61.6-37.9-178.5-69.5-177.5178-179.80115.4G4 L5 L6K2-G4 PolarHBondContact O-N 2.81Å; K2-L5 PolarHBondContact O-N 3.32Å; K2-L6 PolarHBondContact O-N 2.79Å
3R50.3Low68.8Low229 Ų229118.5 Ų118.586%0.86460%0.596SS**Hα-helixtrans-64.5-34.2178.7-79.7-178.1176.4172.5-1.5114.1M1 R7M1-R3 PolarHBondContact O-N 3.02Å; R3-R7 PolarHBondContact O-N 2.86Å
4G55.4Low70.7Confident55 Ų55114.3 Ų114.357%0.56758%0.584SS**Hα-helixtrans-74.8-33.917700000113.2M1 K2 R7 G8M1-G4 PolarHBondContact O-N 3.3Å; K2-G4 PolarHBondContact O-N 2.81Å; G4-R7 PolarHBondContact O-N 2.78Å; G4-G8 PolarHBondContact O-N 3.21Å
5L54Low72.3Confident97 Ų97112.4 Ų112.451%0.50857%0.574SS.*Hα-helixtrans-67.1-40177.5-163.375.6000112.3M1 K2 L9M1-L5 PolarHBondContact O-N 3.48Å; K2-L5 PolarHBondContact O-N 3.32Å; L5-L9 PolarHBondContact O-N 3.39Å
6L56.9Low73.8Confident118 Ų118106.7 Ų106.762%0.61854%0.543SS*.Hα-helixtrans-66.7-37.7175-80.4157.1000112K2 G8 L9 L10K2-L6 PolarHBondContact O-N 2.79Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 2.87Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-L9 VanDerWaalsContact O-N 3.15Å; L6-L10 PolarHBondContact O-N 3.08Å
7R60.1Low75.2Confident214 Ų214106.4 Ų106.481%0.80854%0.542SS*.Hα-helixtrans-65.4-32.5-178.1-147.7176.4-166.4-173.43.1113.3R3 G4 P11R3-R7 PolarHBondContact O-N 2.86Å; G4-R7 PolarHBondContact O-N 2.78Å; R7-P11 WeakPolarHBondContact O-CD 3.39Å
8G75.3Confident76.5Confident36 Ų36106.6 Ų106.637%0.37155%0.545SS..Hα-helixtrans-83.8-15.7174.300000114.7G4 L6 E12G4-G8 PolarHBondContact O-N 3.21Å; L6-G8 VanDerWaalsContact C-N 3.32Å; L6-G8 PolarHBondContact O-N 2.87Å; G8-E12 WeakPolarHBondContact O-CG 3.36Å
9L82.3Confident77.6Confident57 Ų57102.5 Ų102.530%0.29852%0.524SS..Hα-helixtrans-83.6-31.7177.7-173.166.8000112.2L5 L6 E12 V13 L90L5-L9 PolarHBondContact O-N 3.39Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-L9 VanDerWaalsContact O-N 3.15Å; L9-E12 WeakPolarHBondContact O-CB 3.12Å; L9-E12 PolarHBondContact O-N 3.32Å; L9-V13 HydrophobicContact CD1-CG2 4.39Å; L9-V13 HydrophobicContact CG-CG2 4.16Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 3.5Å; L9-L90 HydrophobicContact CD1-CD2 4.26Å
10L88.4Confident78.6Confident119 Ų119100.9 Ų100.962%0.62352%0.516SS*.Hα-helixtrans-54.9-54.2178.2-174.266.1000113.2L6 E12 V13 S14L6-L10 PolarHBondContact O-N 3.08Å; L10-E12 VanDerWaalsContact C-N 3.27Å; L10-E12 PolarHBondContact O-N 2.75Å; L10-V13 PolarHBondContact O-N 3.47Å; L10-S14 WeakPolarHBondContact O-CB 3.15Å; L10-S14 PolarHBondContact O-N 3.31Å; L10-S14 PolarHBondContact O-OG 2.91Å
11P90.6Very high79.6Confident75 Ų75100 Ų10049%0.48752%0.515SS..Hα-helixtrans-61-36.117923.6-34.2000112.8R7 S14 I15R7-P11 WeakPolarHBondContact O-CD 3.39Å; P11-S14 PolarHBondContact O-N 3.49Å; P11-I15 WeakPolarHBondContact O-CG2 3.35Å; P11-I15 PolarHBondContact O-N 2.85Å
12E92Very high82Confident69 Ų6992 Ų9232%0.32248%0.479SS..Hα-helixtrans-62.4-45175.7-67.6-69.215200111.9G8 L9 L10 I15 R16 L90G8-E12 WeakPolarHBondContact O-CG 3.36Å; L9-E12 WeakPolarHBondContact O-CB 3.12Å; L9-E12 PolarHBondContact O-N 3.32Å; L10-E12 VanDerWaalsContact C-N 3.27Å; L10-E12 PolarHBondContact O-N 2.75Å; E12-I15 VanDerWaalsContact O-CG2 3.31Å; E12-I15 WeakPolarHBondContact O-CG2 3.26Å; E12-R16 VanDerWaalsContact C-NH1 3.27Å; E12-R16 WeakPolarHBondContact O-CD 3.28Å; E12-R16 WeakPolarHBondContact O-CG 3.2Å; E12-R16 PolarHBondContact O-N 3.34Å; E12-R16 PolarHBondContact O-NH1 2.68Å; E12-R16 IonicContact OE2-CZ 2.8Å; E12-R16 VanDerWaalsContact OE2-CZ 3.28Å; E12-R16 IonicContact OE2-NH1 3.46Å; E12-R16 PolarHBondContact OE2-NH1 2.89Å; E12-R16 IonicContact OE2-NH2 2.69Å; E12-R16 PolarHBondContact OE2-NH2 3.05Å; E12-L90 HydrophobicContact CB-CD2 4.15Å
13V92.3Very high84.3Confident64 Ų6484.4 Ų84.439%0.38845%0.446SS..Hα-helixtrans-69.4-43.5177.9174.40000110.3L9 L10 I15 R16 L17L9-V13 HydrophobicContact CD1-CG2 4.39Å; L9-V13 HydrophobicContact CG-CG2 4.16Å; L9-V13 WeakPolarHBondContact O-CG2 3.46Å; L9-V13 PolarHBondContact O-N 3.5Å; L10-V13 PolarHBondContact O-N 3.47Å; V13-I15 PolarHBondContact O-N 2.86Å; V13-R16 PolarHBondContact O-N 3.5Å; V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.18Å; V13-L17 WeakPolarHBondContact O-CG 3.27Å; V13-L17 PolarHBondContact O-N 3.09Å
14S94.5Very high86.5Confident60 Ų6078.1 Ų78.142%0.4243%0.429SS..Hα-helixtrans-59.1-45.5-179.9-64.40000112.7L10 P11 R16 L17 L18L10-S14 WeakPolarHBondContact O-CB 3.15Å; L10-S14 PolarHBondContact O-N 3.31Å; L10-S14 PolarHBondContact O-OG 2.91Å; P11-S14 PolarHBondContact O-N 3.49Å; S14-R16 VanDerWaalsContact C-N 3.33Å; S14-R16 PolarHBondContact O-N 3.2Å; S14-L17 PolarHBondContact O-N 3.26Å; S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 PolarHBondContact O-N 3.24Å
15I95.5Very high88.5Confident86 Ų8679.3 Ų79.344%0.44143%0.425SS..Hα-helixtrans-65.3-37.1179.3-164.4167000111.9P11 E12 V13 L18 L19P11-I15 WeakPolarHBondContact O-CG2 3.35Å; P11-I15 PolarHBondContact O-N 2.85Å; E12-I15 VanDerWaalsContact O-CG2 3.31Å; E12-I15 WeakPolarHBondContact O-CG2 3.26Å; V13-I15 PolarHBondContact O-N 2.86Å; I15-L18 PolarHBondContact O-N 2.78Å; I15-L19 HydrophobicContact CG1-CD1 4.25Å; I15-L19 WeakPolarHBondContact O-CB 3.34Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.33Å; I15-L19 PolarHBondContact O-N 3.28Å
16R96.4Very high90.6Very high21 Ų2175.7 Ų75.78%0.07941%0.407CS..Hα-helixtrans-68.6-41.5177.7-73.1167.2-178.470.9-2.6112E12 V13 S14 L19 L20 L90 T93 L94 V97E12-R16 VanDerWaalsContact C-NH1 3.27Å; E12-R16 WeakPolarHBondContact O-CD 3.28Å; E12-R16 WeakPolarHBondContact O-CG 3.2Å; E12-R16 PolarHBondContact O-N 3.34Å; E12-R16 PolarHBondContact O-NH1 2.68Å; E12-R16 IonicContact OE2-CZ 2.8Å; E12-R16 VanDerWaalsContact OE2-CZ 3.28Å; E12-R16 IonicContact OE2-NH1 3.46Å; E12-R16 PolarHBondContact OE2-NH1 2.89Å; E12-R16 IonicContact OE2-NH2 2.69Å; E12-R16 PolarHBondContact OE2-NH2 3.05Å; V13-R16 PolarHBondContact O-N 3.5Å; S14-R16 VanDerWaalsContact C-N 3.33Å; S14-R16 PolarHBondContact O-N 3.2Å; R16-L19 PolarHBondContact O-N 2.94Å; R16-L20 WeakPolarHBondContact O-CB 3.21Å; R16-L20 PolarHBondContact O-N 2.97Å; R16-L90 PolarHBondContact NE-O 2.98Å; R16-L90 PolarHBondContact NH2-O 2.82Å; R16-T93 WeakPolarHBondContact CD-OG1 3.27Å; R16-T93 PolarHBondContact NE-OG1 3.13Å; R16-L94 HydrophobicContact CG-CD1 4.44Å; R16-V97 HydrophobicContact CG-CG2 4.48Å
17L96.8Very high92.3Very high101 Ų10173.1 Ų73.153%0.52939%0.392SS..Hα-helixtrans-64-42.9175-70.3175.9000111.2V13 S14 L20 V21V13-L17 HydrophobicContact CG1-CD1 3.82Å; V13-L17 HydrophobicContact CG1-CG 4.18Å; V13-L17 WeakPolarHBondContact O-CG 3.27Å; V13-L17 PolarHBondContact O-N 3.09Å; S14-L17 PolarHBondContact O-N 3.26Å; L17-L20 PolarHBondContact O-N 3.45Å; L17-V21 WeakPolarHBondContact O-CG2 2.94Å; L17-V21 PolarHBondContact O-N 3.23Å
18L97.9Very high94Very high111 Ų11170.1 Ų70.158%0.58139%0.387SS*.Hα-helixtrans-59.5-49.2174.9178.664.5000111.3S14 I15 L20 V21 V22S14-L18 WeakPolarHBondContact O-CB 3.35Å; S14-L18 PolarHBondContact O-N 3.24Å; I15-L18 PolarHBondContact O-N 2.78Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.41Å; L18-V21 PolarHBondContact O-N 3.26Å; L18-V22 WeakPolarHBondContact O-CG2 3.27Å; L18-V22 PolarHBondContact O-N 3.39Å
19L98.2Very high95Very high28 Ų2872 Ų7215%0.14739%0.388CS..Hα-helixtrans-62.3-37.2177.6-70.8169.1000112.2I15 R16 V22 F23 L94 V97 L98 V101I15-L19 HydrophobicContact CG1-CD1 4.25Å; I15-L19 WeakPolarHBondContact O-CB 3.34Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.33Å; I15-L19 PolarHBondContact O-N 3.28Å; R16-L19 PolarHBondContact O-N 2.94Å; L19-V22 PolarHBondContact O-N 2.92Å; L19-F23 WeakPolarHBondContact O-CB 3.29Å; L19-F23 PolarHBondContact O-N 3.31Å; L19-L94 HydrophobicContact CD1-CD1 4.1Å; L19-V97 HydrophobicContact CB-CB 4.04Å; L19-V97 HydrophobicContact CB-CG2 3.8Å; L19-V97 HydrophobicContact CD1-CG2 3.91Å; L19-L98 HydrophobicContact CD1-CD2 3.61Å; L19-L98 HydrophobicContact CD1-CG 4.01Å; L19-L98 HydrophobicContact CD2-CD2 4.11Å; L19-V101 HydrophobicContact CB-CG2 4.36Å; L19-V101 HydrophobicContact CD2-CG2 4.15Å; L19-V101 VanDerWaalsContact O-CG2 3.29Å; L19-V101 WeakPolarHBondContact O-CG2 3.49Å
20L97.9Very high95.7Very high70 Ų7073.6 Ų73.637%0.36640%0.402SS..Hα-helixtrans-63.2-43.4174.3-18062.9000111.4R16 L17 L18 F23 L24 V97R16-L20 WeakPolarHBondContact O-CB 3.21Å; R16-L20 PolarHBondContact O-N 2.97Å; L17-L20 PolarHBondContact O-N 3.45Å; L18-L20 VanDerWaalsContact C-N 3.3Å; L18-L20 PolarHBondContact O-N 3.41Å; L20-F23 HydrophobicContact CD1-CD1 4.22Å; L20-F23 WeakPolarHBondContact O-CB 3.46Å; L20-F23 PolarHBondContact O-N 2.81Å; L20-L24 HydrophobicContact CD1-CD1 4.46Å; L20-L24 HydrophobicContact CD1-CG 4.38Å; L20-L24 HydrophobicContact CG-CD1 4.23Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.1Å; L20-L24 PolarHBondContact O-N 3.23Å; L20-V97 HydrophobicContact CB-CG1 4.32Å
21V98.4Very high96.1Very high84 Ų8468.4 Ų68.451%0.50938%0.376SS..Hα-helixtrans-61.2-45.4174.7171.20000110.6L17 L18 F23 L24 V25L17-V21 WeakPolarHBondContact O-CG2 2.94Å; L17-V21 PolarHBondContact O-N 3.23Å; L18-V21 PolarHBondContact O-N 3.26Å; V21-F23 VanDerWaalsContact C-N 3.32Å; V21-F23 PolarHBondContact O-N 3.46Å; V21-L24 PolarHBondContact O-N 3.06Å; V21-V25 HydrophobicContact CG1-CG2 4.31Å; V21-V25 WeakPolarHBondContact O-CB 3.29Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.4Å; V21-V25 PolarHBondContact O-N 3.49Å
22V98.4Very high96.4Very high56 Ų5670.9 Ų70.934%0.33938%0.379SS..Hα-helixtrans-59.2-44.21761740000111L18 L19 V25 T26 V101L18-V22 WeakPolarHBondContact O-CG2 3.27Å; L18-V22 PolarHBondContact O-N 3.39Å; L19-V22 PolarHBondContact O-N 2.92Å; V22-V25 PolarHBondContact O-N 3.18Å; V22-T26 HydrophobicContact CG1-CG2 4.19Å; V22-T26 WeakPolarHBondContact O-CB 3.48Å; V22-T26 VanDerWaalsContact O-CG2 3.25Å; V22-T26 WeakPolarHBondContact O-CG2 3.45Å; V22-T26 PolarHBondContact O-N 2.93Å; V22-T26 PolarHBondContact O-OG1 2.66Å; V22-V101 HydrophobicContact CB-CG2 4.14Å; V22-V101 HydrophobicContact CG1-CG1 3.96Å; V22-V101 HydrophobicContact CG1-CG2 3.96Å
23F97.9Very high96.5Very high23 Ų2373 Ų7310%0.10139%0.391CS..Hα-helixtrans-58.8-50.4175.6167.3-106.6000111.9L19 L20 V21 V25 T26 E27 F60 V101 N104 F154L19-F23 WeakPolarHBondContact O-CB 3.29Å; L19-F23 PolarHBondContact O-N 3.31Å; L20-F23 HydrophobicContact CD1-CD1 4.22Å; L20-F23 WeakPolarHBondContact O-CB 3.46Å; L20-F23 PolarHBondContact O-N 2.81Å; V21-F23 VanDerWaalsContact C-N 3.32Å; V21-F23 PolarHBondContact O-N 3.46Å; F23-V25 PolarHBondContact O-N 3.01Å; F23-T26 WeakPolarHBondContact CA-OG1 3.19Å; F23-T26 PolarHBondContact O-N 2.88Å; F23-T26 PolarHBondContact O-OG1 3.48Å; F23-E27 PolarHBondContact O-N 3.34Å; F23-F60 HydrophobicContact CZ-CZ 4.17Å; F23-V101 HydrophobicContact CB-CG2 4.08Å; F23-N104 WeakPolarHBondContact CD2-ND2 3.38Å; F23-N104 WeakPolarHBondContact CE2-ND2 3.16Å; F23-N104 PolarHBondContact O-ND2 3.17Å; F23-F154 HydrophobicContact CD2-CZ 4.3Å; F23-F154 AromaticContact CE2-CE2 3.89Å; F23-F154 HydrophobicContact CE2-CE2 3.89Å; F23-F154 AromaticContact CE2-CZ 3.62Å; F23-F154 HydrophobicContact CE2-CZ 3.62Å; F23-F154 HydrophobicContact CZ-CE2 4.08Å; F23-F154 AromaticContact CZ-CZ 3.75Å; F23-F154 HydrophobicContact CZ-CZ 3.75Å
24L97.4Very high96.5Very high97 Ų9774.5 Ų74.551%0.50839%0.39SS..Hα-helixtrans-63.3-40-179.2-68.1173.5000112.4L20 V21L20-L24 HydrophobicContact CD1-CD1 4.46Å; L20-L24 HydrophobicContact CD1-CG 4.38Å; L20-L24 HydrophobicContact CG-CD1 4.23Å; L20-L24 VanDerWaalsContact O-CG 3.3Å; L20-L24 WeakPolarHBondContact O-CG 3.1Å; L20-L24 PolarHBondContact O-N 3.23Å; V21-L24 PolarHBondContact O-N 3.06Å
25V97.6Very high96.3Very high80 Ų8080 Ų8049%0.48541%0.409SS..Hα-helixtrans-66.4-49.2176.1170.60000110.5V21 V22 F23 E27 Q28 L29V21-V25 HydrophobicContact CG1-CG2 4.31Å; V21-V25 WeakPolarHBondContact O-CB 3.29Å; V21-V25 VanDerWaalsContact O-CG2 3.32Å; V21-V25 WeakPolarHBondContact O-CG2 3.4Å; V21-V25 PolarHBondContact O-N 3.49Å; V22-V25 PolarHBondContact O-N 3.18Å; F23-V25 PolarHBondContact O-N 3.01Å; V25-E27 VanDerWaalsContact C-N 3.26Å; V25-E27 PolarHBondContact O-N 2.82Å; V25-Q28 PolarHBondContact O-N 2.99Å; V25-Q28 VanDerWaalsContact O-N 3.08Å; V25-L29 PolarHBondContact O-N 2.97Å
26T96.8Very high96Very high21 Ų2177.6 Ų77.613%0.12940%0.396CS..Hα-helixtrans-64.7-28-178.252.30000113.1V22 F23 Q28 L29 N104 L108V22-T26 HydrophobicContact CG1-CG2 4.19Å; V22-T26 WeakPolarHBondContact O-CB 3.48Å; V22-T26 VanDerWaalsContact O-CG2 3.25Å; V22-T26 WeakPolarHBondContact O-CG2 3.45Å; V22-T26 PolarHBondContact O-N 2.93Å; V22-T26 PolarHBondContact O-OG1 2.66Å; F23-T26 WeakPolarHBondContact CA-OG1 3.19Å; F23-T26 PolarHBondContact O-N 2.88Å; F23-T26 PolarHBondContact O-OG1 3.48Å; T26-Q28 PolarHBondContact O-N 3.3Å; T26-L29 HydrophobicContact CG2-CD1 4.36Å; T26-L29 PolarHBondContact O-N 3.31Å; T26-N104 WeakPolarHBondContact OG1-CB 3.47Å; T26-N104 PolarHBondContact OG1-ND2 3.28Å; T26-L108 HydrophobicContact CG2-CD1 4.27Å
27E94.6Very high95.6Very high64 Ų6482.9 Ų82.930%0.29942%0.422SS..Hα-helixtrans-59.6-35.5173.6-167.368.7-179.700111.8F23 V25 N104 K145F23-E27 PolarHBondContact O-N 3.34Å; V25-E27 VanDerWaalsContact C-N 3.26Å; V25-E27 PolarHBondContact O-N 2.82Å; E27-N104 PolarHBondContact N-ND2 3.08Å; E27-N104 VanDerWaalsContact OE2-CG 3.23Å; E27-N104 PolarHBondContact OE2-ND2 2.84Å; E27-N104 PolarHBondContact OE2-OD1 2.91Å; E27-N104 VanDerWaalsContact OE2-OD1 3.12Å; E27-K145 PolarHBondContact O-NZ 3.44Å
28Q94.5Very high95.1Very high150 Ų15081.6 Ų81.670%0.70143%0.426SS*.Hα-helixtrans-87.3-10.9-176.3-57.5-58.3-25.800113.9V25 T26V25-Q28 PolarHBondContact O-N 2.99Å; V25-Q28 VanDerWaalsContact O-N 3.08Å; T26-Q28 PolarHBondContact O-N 3.3Å
29L96.2Very high94.7Very high75 Ų7583 Ų8339%0.39343%0.43SS..SBendtrans-73147.2-177.7-66.4179.3000111.8V25 T26 L108 K145V25-L29 PolarHBondContact O-N 2.97Å; T26-L29 HydrophobicContact CG2-CD1 4.36Å; T26-L29 PolarHBondContact O-N 3.31Å; L29-L108 HydrophobicContact CB-CD1 3.88Å; L29-L108 HydrophobicContact CB-CD2 3.82Å; L29-L108 HydrophobicContact CD1-CD1 3.98Å; L29-L108 VanDerWaalsContact O-CD2 3.22Å; L29-L108 WeakPolarHBondContact O-CD2 3.44Å; L29-K145 WeakPolarHBondContact O-CE 2.66Å; L29-K145 PolarHBondContact O-NZ 3Å
30P96.6Very high94.4Very high91 Ų9183.8 Ų83.859%0.59143%0.433SS*.PPolyproline II helixtrans-70.3136.6172.129.3-33.6000110M141P30-M141 HydrophobicContact CB-SD 4.45Å
31P97Very high93.9Very high11 Ų1181.5 Ų81.57%0.07142%0.42CS..PPolyproline II helixtrans-79.6167.5175.335.7-34.8000111.1I33 L108 R144 K145P31-I33 PolarHBondContact O-N 2.7Å; P31-L108 HydrophobicContact CB-CD2 4.31Å; P31-R144 HydrophobicContact CG-CB 3.7Å; P31-K145 HydrophobicContact CB-CG 4.09Å; P31-K145 HydrophobicContact CG-CG 3.87Å
32F96.8Very high93.6Very high127 Ų12786.5 Ų86.556%0.55743%0.43SS*.PPolyproline II helixtrans-51.4132.3165.1175-109.7000110.6R34 L108 V109 G111F32-R34 HydrophobicContact CD1-CB 4.35Å; F32-R34 HydrophobicContact CE1-CB 4.16Å; F32-R34 PolarHBondContact O-N 3.27Å; F32-L108 PolarHBondContact N-O 3.39Å; F32-V109 WeakPolarHBondContact CB-O 3.49Å; F32-G111 VanDerWaalsContact O-CA 3.27Å; F32-G111 WeakPolarHBondContact O-CA 3.17Å
33I94.4Very high93.5Very high112 Ų11285.8 Ų85.857%0.57442%0.424SS*.  trans-89.897.1179-59.2179.4000107.8P31P31-I33 PolarHBondContact O-N 2.7Å
34R91.6Very high93.4Very high96 Ų9684.7 Ų84.736%0.36242%0.42SS..  trans-71.3130172.9-179.2171.1171.4163-5.4110.6F32 E40F32-R34 HydrophobicContact CD1-CB 4.35Å; F32-R34 HydrophobicContact CE1-CB 4.16Å; F32-R34 PolarHBondContact O-N 3.27Å; R34-E40 IonicContact NH2-OE1 2.67Å
35E90.4Very high93.3Very high177 Ų17786.5 Ų86.583%0.82742%0.419SS*.  trans-66.8134.5170-67.4-178.2-178.700110.3
36I90.4Very high93.1Very high34 Ų3486.5 Ų86.517%0.17441%0.413CS..  trans-110.4117.6179.9-54.7175.7000107.6M41 Y44 P113 F117I36-M41 HydrophobicContact CB-CE 4.13Å; I36-M41 HydrophobicContact CG2-CE 3.55Å; I36-M41 HydrophobicContact CG2-SD 4.19Å; I36-Y44 HydrophobicContact CD1-CD2 4.28Å; I36-Y44 HydrophobicContact CD1-CE2 4.48Å; I36-Y44 HydrophobicContact CG1-CE2 4.49Å; I36-Y44 HydrophobicContact CG2-CD2 3.76Å; I36-Y44 HydrophobicContact CG2-CE2 3.79Å; I36-P113 HydrophobicContact CD1-CB 4.05Å; I36-P113 HydrophobicContact CD1-CG 3.56Å; I36-P113 HydrophobicContact CG1-CG 3.9Å; I36-F117 HydrophobicContact CD1-CD1 3.66Å; I36-F117 HydrophobicContact CD1-CE1 3.55Å
37Q88.2Confident92.9Very high132 Ų13290.6 Ų90.662%0.61743%0.431SS*.  trans-70.5149.2175.2-66.3-178.1-16.700110.5E39 E40 M41Q37-E39 PolarHBondContact O-N 2.91Å; Q37-E40 HydrophobicContact CB-CB 4.44Å; Q37-E40 PolarHBondContact O-N 3.41Å; Q37-M41 PolarHBondContact O-N 3.24Å
38A86.3Confident92.8Very high75 Ų7592.7 Ų92.762%0.6244%0.436SS*.G310 helixtrans-60.1-35.8-17900000111.6E40 M41A38-E40 VanDerWaalsContact C-N 3.27Å; A38-E40 PolarHBondContact O-N 3.48Å; A38-M41 VanDerWaalsContact O-CB 3.28Å; A38-M41 WeakPolarHBondContact O-CB 3.43Å; A38-M41 PolarHBondContact O-N 3.03Å
39E88.8Confident92.7Very high141 Ų14186.8 Ų86.866%0.65941%0.41SS*.G310 helixtrans-71.3-19.5178.8-56.473.4-159.300112.8Q37 W42Q37-E39 PolarHBondContact O-N 2.91Å; E39-W42 PolarHBondContact O-NE1 3.31Å
40E91.3Very high92.3Very high43 Ų4391.2 Ų91.220%0.20143%0.428CS..G310 helixtrans-92.2-13.7176.5-162.1-175.9164.100111.8R34 Q37 A38 W42 L43 Y44R34-E40 IonicContact NH2-OE1 2.67Å; Q37-E40 HydrophobicContact CB-CB 4.44Å; Q37-E40 PolarHBondContact O-N 3.41Å; A38-E40 VanDerWaalsContact C-N 3.27Å; A38-E40 PolarHBondContact O-N 3.48Å; E40-W42 PolarHBondContact O-N 3.39Å; E40-L43 HydrophobicContact CG-CD2 4.38Å; E40-L43 VanDerWaalsContact O-CB 3.26Å; E40-L43 WeakPolarHBondContact O-CB 3.21Å; E40-L43 PolarHBondContact O-N 2.78Å; E40-Y44 HydrophobicContact CG-CE2 3.8Å; E40-Y44 WeakPolarHBondContact OE1-CE2 3.42Å; E40-Y44 PolarHBondContact OE1-OH 3.32Å
41M88.9Confident92.2Very high22 Ų2293.4 Ų93.411%0.10844%0.435CS..G310 helixtrans-58.2-30-170.7-164.961.460.600113.7I36 Q37 A38 L43 Y44 F118 M127 M131I36-M41 HydrophobicContact CB-CE 4.13Å; I36-M41 HydrophobicContact CG2-CE 3.55Å; I36-M41 HydrophobicContact CG2-SD 4.19Å; Q37-M41 PolarHBondContact O-N 3.24Å; A38-M41 VanDerWaalsContact O-CB 3.28Å; A38-M41 WeakPolarHBondContact O-CB 3.43Å; A38-M41 PolarHBondContact O-N 3.03Å; M41-L43 PolarHBondContact O-N 3.06Å; M41-Y44 PolarHBondContact O-N 2.81Å; M41-Y44 VanDerWaalsContact O-N 3.12Å; M41-F118 HydrophobicContact CG-CD2 4.08Å; M41-F118 HydrophobicContact SD-CD2 3.95Å; M41-M127 HydrophobicContact CE-CE 3.67Å; M41-M127 HydrophobicContact CG-CE 4.21Å; M41-M127 HydrophobicContact SD-CE 3.93Å; M41-M131 HydrophobicContact CE-CE 4.16Å
42W92Very high92.1Very high190 Ų19094.9 Ų94.972%0.7244%0.442SS*.G310 helixtrans-60.3-2917769-90.6000112.9E39 E40 Y44 R45E39-W42 PolarHBondContact O-NE1 3.31Å; E40-W42 PolarHBondContact O-N 3.39Å; W42-Y44 PolarHBondContact O-N 2.87Å; W42-R45 PolarHBondContact O-N 2.82Å
43L94.9Very high92.1Very high40 Ų4095.2 Ų95.221%0.20945%0.445CS..G310 helixtrans-66.7-25.8178.6-17661.9000112.3E40 M41E40-L43 HydrophobicContact CG-CD2 4.38Å; E40-L43 VanDerWaalsContact O-CB 3.26Å; E40-L43 WeakPolarHBondContact O-CB 3.21Å; E40-L43 PolarHBondContact O-N 2.78Å; M41-L43 PolarHBondContact O-N 3.06Å
44Y95.9Very high92.2Very high1 Ų190.9 Ų90.90%0.00442%0.424CS..G310 helixtrans-106.211.8-173.7-55.7-56000113.2I36 E40 M41 W42 P113 R114 P115 F117 F118 H208I36-Y44 HydrophobicContact CD1-CD2 4.28Å; I36-Y44 HydrophobicContact CD1-CE2 4.48Å; I36-Y44 HydrophobicContact CG1-CE2 4.49Å; I36-Y44 HydrophobicContact CG2-CD2 3.76Å; I36-Y44 HydrophobicContact CG2-CE2 3.79Å; E40-Y44 HydrophobicContact CG-CE2 3.8Å; E40-Y44 WeakPolarHBondContact OE1-CE2 3.42Å; E40-Y44 PolarHBondContact OE1-OH 3.32Å; M41-Y44 PolarHBondContact O-N 2.81Å; M41-Y44 VanDerWaalsContact O-N 3.12Å; W42-Y44 PolarHBondContact O-N 2.87Å; Y44-P113 HydrophobicContact CD1-CB 3.79Å; Y44-P113 HydrophobicContact CE1-CB 3.68Å; Y44-P113 HydrophobicContact CE1-CG 4.12Å; Y44-P113 WeakPolarHBondContact CE1-O 3.36Å; Y44-P113 HydrophobicContact CE2-CB 4.46Å; Y44-P113 HydrophobicContact CE2-CG 4.32Å; Y44-P113 HydrophobicContact CG-CB 4.21Å; Y44-R114 VanDerWaalsContact CD1-O 3.29Å; Y44-R114 WeakPolarHBondContact CD1-O 3.27Å; Y44-P115 CarbonylContact C-O 2.89Å; Y44-P115 VanDerWaalsContact CA-O 3.24Å; Y44-P115 WeakPolarHBondContact CA-O 3.35Å; Y44-F117 PolarHBondContact O-N 3.45Å; Y44-F118 WeakPolarHBondContact O-CB 3.45Å; Y44-F118 PolarHBondContact O-N 3.2Å; Y44-H208 AromaticContact CE1-CE1 3.93Å; Y44-H208 AromaticContact CE1-NE2 3.98Å
45R95.1Very high92.5Very high134 Ų13488.9 Ų88.951%0.50642%0.424SS..  trans-106.321.8-171.9-147.4170.1-172.1-169.6-0.1113.6W42 P115 F118 Y119W42-R45 PolarHBondContact O-N 2.82Å; R45-P115 PolarHBondContact N-O 3.28Å; R45-F118 HydrophobicContact CB-CB 4.38Å; R45-F118 HydrophobicContact CG-CB 4.12Å; R45-F118 HydrophobicContact CG-CD1 3.76Å; R45-F118 HydrophobicContact CG-CD2 4.39Å; R45-F118 HydrophobicContact CG-CE1 4.28Å; R45-F118 HydrophobicContact CG-CG 3.83Å; R45-Y119 HydrophobicContact CG-CE2 4.26Å; R45-Y119 WeakPolarHBondContact O-CE2 3.34Å
46F95.4Very high92.8Very high81 Ų8183.7 Ų83.736%0.35540%0.404SS..PPolyproline II helixtrans-69.7145.2170.6-72.9-86000110.4P115 Y119 Y205F46-P115 WeakPolarHBondContact CB-O 3.14Å; F46-P115 HydrophobicContact CD2-CB 3.75Å; F46-P115 HydrophobicContact CE2-CB 4.43Å; F46-P115 HydrophobicContact CG-CB 4.43Å; F46-P115 PolarHBondContact N-O 2.87Å; F46-Y119 VanDerWaalsContact O-CD2 3.25Å; F46-Y119 WeakPolarHBondContact O-CD2 3.48Å; F46-Y205 HydrophobicContact CB-CD1 3.81Å; F46-Y205 HydrophobicContact CB-CD2 4.35Å; F46-Y205 HydrophobicContact CB-CG 3.69Å; F46-Y205 AromaticContact CD1-CD1 3.28Å; F46-Y205 HydrophobicContact CD1-CD1 3.28Å; F46-Y205 AromaticContact CD1-CE1 3.28Å; F46-Y205 HydrophobicContact CD1-CE1 3.28Å; F46-Y205 AromaticContact CD1-CG 3.98Å; F46-Y205 HydrophobicContact CD1-CG 3.98Å; F46-Y205 AromaticContact CD1-CZ 3.99Å; F46-Y205 HydrophobicContact CD2-CD1 4.29Å; F46-Y205 AromaticContact CE1-CD1 3.86Å; F46-Y205 HydrophobicContact CE1-CD1 3.86Å; F46-Y205 AromaticContact CE1-CE1 3.58Å; F46-Y205 HydrophobicContact CE1-CE1 3.58Å; F46-Y205 AromaticContact CG-CD1 3.53Å; F46-Y205 HydrophobicContact CG-CD1 3.53Å; F46-Y205 HydrophobicContact CG-CE1 4.05Å; F46-Y205 AromaticContact CG-CG 3.97Å; F46-Y205 HydrophobicContact CG-CG 3.97Å
47H92.1Very high93.1Very high107 Ų10786.1 Ų86.150%0.49542%0.424SS..PPolyproline II helixtrans-59.6144.5179.567.875.7000110.8V49 Y205H47-V49 PolarHBondContact O-N 3.45Å; H47-Y205 AromaticContact CE1-CD2 3.91Å; H47-Y205 AromaticContact CE1-CE2 3.62Å; H47-Y205 AromaticContact NE2-CE2 3.37Å; H47-Y205 WeakPolarHBondContact NE2-CE2 3.46Å
48R92Very high93.5Very high108 Ų10884 Ų8441%0.40842%0.417SS..PPolyproline II helixtrans-72.9123.2176.9-175.8177.8173-175.9-2.2109.5
49V93.4Very high94.1Very high26 Ų2680.5 Ų80.516%0.15839%0.388CS..PPolyproline II helixtrans-85.7124.9165.4-179.20000108.6H47 N51 D204 Y205 K206H47-V49 PolarHBondContact O-N 3.45Å; V49-N51 VanDerWaalsContact CG1-O 3.26Å; V49-N51 WeakPolarHBondContact CG1-O 3.41Å; V49-D204 HydrophobicContact CB-CB 4.41Å; V49-D204 WeakPolarHBondContact CG1-OD1 3.43Å; V49-Y205 HydrophobicContact CG2-CD2 4.17Å; V49-K206 PolarHBondContact O-NZ 3.36Å
50E87.8Confident94.5Very high167 Ų16776.9 Ų76.978%0.7837%0.37SS*.SBendtrans-82.8-43.5179.5-65-173.9167.400112.1
51N93.3Very high94.8Very high138 Ų13877.3 Ų77.374%0.73838%0.377SS*.SBendtrans-103.1105.6-179.6-66.2-49.1000110.1V49V49-N51 VanDerWaalsContact CG1-O 3.26Å; V49-N51 WeakPolarHBondContact CG1-O 3.41Å
52D94.9Very high95.3Very high41 Ų4177.7 Ų77.722%0.21938%0.381CS..  trans-63.4137.8176.4-76.8-5.1000111.5V54 R201 K206D52-V54 PolarHBondContact O-N 3.16Å; D52-R201 VanDerWaalsContact CB-NH2 3.34Å; D52-R201 VanDerWaalsContact CG-NH2 3.31Å; D52-R201 IonicContact OD1-NH1 3.87Å; D52-R201 IonicContact OD1-NH2 3.58Å; D52-R201 IonicContact OD2-CZ 3.59Å; D52-R201 IonicContact OD2-NH1 2.7Å; D52-R201 PolarHBondContact OD2-NH1 3.25Å; D52-R201 IonicContact OD2-NH2 2.82Å; D52-K206 WeakPolarHBondContact OD1-CE 3.26Å
53H96.6Very high95.6Very high134 Ų13468.7 Ų68.762%0.6235%0.347SS*.SBendtrans-58.5-37.6172.4-75.280.6000111.8D204H53-D204 WeakPolarHBondContact CB-OD2 3.46Å; H53-D204 IonicContact CE1-OD1 3.9Å; H53-D204 PolarHBondContact CE1-OD1 3.41Å; H53-D204 IonicContact CG-OD1 2.8Å; H53-D204 IonicContact CG-OD2 3.45Å; H53-D204 PolarHBondContact N-OD2 3.11Å; H53-D204 VanDerWaalsContact ND1-CG 3.29Å; H53-D204 IonicContact ND1-OD1 2.63Å; H53-D204 PolarHBondContact ND1-OD1 2.75Å; H53-D204 IonicContact ND1-OD2 3.33Å; H53-D204 PolarHBondContact ND1-OD2 3.44Å
54V97.5Very high95.7Very high22 Ų2268.6 Ų68.613%0.13335%0.35CS..SBendtrans-126.1103.3171.6-176.30000108.6D52 L58 M59 I197 R201D52-V54 PolarHBondContact O-N 3.16Å; V54-L58 HydrophobicContact CG1-CD2 4.31Å; V54-L58 HydrophobicContact CG1-CG 4.42Å; V54-M59 HydrophobicContact CG1-CB 4.15Å; V54-I197 HydrophobicContact CG1-CG1 4.33Å; V54-I197 HydrophobicContact CG1-CG2 4.15Å; V54-R201 PolarHBondContact O-NH1 3.39Å
55P97.2Very high95.8Very high54 Ų5474.7 Ų74.735%0.35138%0.376SS..  trans-62150.2176.3-24.334.1000112.5S57 L58 M59P55-S57 VanDerWaalsContact C-N 3.27Å; P55-S57 PolarHBondContact O-N 3.42Å; P55-L58 HydrophobicContact CB-CB 4.49Å; P55-L58 WeakPolarHBondContact O-CB 3.32Å; P55-L58 PolarHBondContact O-N 3.04Å; P55-M59 PolarHBondContact O-N 2.89Å
56T96Very high95.9Very high67 Ų6770 Ų7041%0.41136%0.363SS..Hα-helixtrans-52.9-42.2177.8-53.50000112.9M59 F60 H151T56-M59 HydrophobicContact CG2-CE 4.46Å; T56-M59 PolarHBondContact O-N 3.48Å; T56-F60 HydrophobicContact CG2-CD2 3.73Å; T56-F60 HydrophobicContact CG2-CE2 3.63Å; T56-F60 VanDerWaalsContact O-CD2 3.31Å; T56-F60 WeakPolarHBondContact O-CD2 3.45Å; T56-F60 PolarHBondContact O-N 2.85Å; T56-H151 PolarHBondContact OG1-CE1 2.98Å; T56-H151 PolarHBondContact OG1-NE2 3.24Å
57S96.8Very high96.1Very high86 Ų8666.2 Ų66.260%0.60135%0.346SS*.Hα-helixtrans-62.7-42.3178.354.60000112.4P55 S61P55-S57 VanDerWaalsContact C-N 3.27Å; P55-S57 PolarHBondContact O-N 3.42Å; S57-S61 WeakPolarHBondContact O-CB 3.32Å; S57-S61 PolarHBondContact O-N 3.09Å; S57-S61 PolarHBondContact O-OG 3.07Å
58L97.9Very high96.3Very high87 Ų8764.1 Ų64.146%0.45534%0.336SS..Hα-helixtrans-66.8-44176.8179.460000110.8V54 P55 F60 S61 V62V54-L58 HydrophobicContact CG1-CD2 4.31Å; V54-L58 HydrophobicContact CG1-CG 4.42Å; P55-L58 HydrophobicContact CB-CB 4.49Å; P55-L58 WeakPolarHBondContact O-CB 3.32Å; P55-L58 PolarHBondContact O-N 3.04Å; L58-F60 PolarHBondContact O-N 3.46Å; L58-S61 PolarHBondContact O-N 3.34Å; L58-V62 HydrophobicContact CD1-CG2 4.15Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 2.85Å
59M97.9Very high96.6Very high2 Ų264.4 Ų64.41%0.0135%0.345CS..Hα-helixtrans-57.2-51.1176.3179.4-77.5-59.800111.2V54 P55 T56 S61 V62 A63 H151 F154 I197V54-M59 HydrophobicContact CG1-CB 4.15Å; P55-M59 PolarHBondContact O-N 2.89Å; T56-M59 HydrophobicContact CG2-CE 4.46Å; T56-M59 PolarHBondContact O-N 3.48Å; M59-S61 VanDerWaalsContact C-N 3.32Å; M59-S61 PolarHBondContact O-N 2.95Å; M59-V62 PolarHBondContact O-N 3.23Å; M59-A63 WeakPolarHBondContact O-CB 3.08Å; M59-A63 PolarHBondContact O-N 3.48Å; M59-H151 HydrophobicContact CG-CB 4.19Å; M59-F154 HydrophobicContact CE-CB 4.17Å; M59-F154 HydrophobicContact SD-CB 3.49Å; M59-F154 WeakPolarHBondContact SD-CB 3.28Å; M59-F154 HydrophobicContact SD-CG 4.49Å; M59-I197 HydrophobicContact CB-CG2 4.39Å; M59-I197 HydrophobicContact CG-CG2 3.82Å
60F97.8Very high96.8Very high64 Ų6464.4 Ų64.428%0.28135%0.345SS..Hα-helixtrans-62.3-39.5176.8-84.2-64.7000112.3F23 T56 L58 A63 C64 F154F23-F60 HydrophobicContact CZ-CZ 4.17Å; T56-F60 HydrophobicContact CG2-CD2 3.73Å; T56-F60 HydrophobicContact CG2-CE2 3.63Å; T56-F60 VanDerWaalsContact O-CD2 3.31Å; T56-F60 WeakPolarHBondContact O-CD2 3.45Å; T56-F60 PolarHBondContact O-N 2.85Å; L58-F60 PolarHBondContact O-N 3.46Å; F60-A63 PolarHBondContact O-N 3.33Å; F60-C64 WeakPolarHBondContact O-CB 3.35Å; F60-C64 PolarHBondContact O-N 3.45Å; F60-C64 PolarHBondContact O-SG 2.74Å; F60-C64 VanDerWaalsContact O-SG 3.34Å; F60-F154 HydrophobicContact CD1-CD1 4.34Å; F60-F154 HydrophobicContact CD1-CG 4.44Å; F60-F154 AromaticContact CE1-CD1 3.74Å; F60-F154 HydrophobicContact CE1-CD1 3.74Å; F60-F154 AromaticContact CE1-CD2 3.83Å; F60-F154 HydrophobicContact CE1-CD2 3.83Å; F60-F154 AromaticContact CE1-CE1 3.76Å; F60-F154 HydrophobicContact CE1-CE1 3.76Å; F60-F154 AromaticContact CE1-CE2 3.85Å; F60-F154 HydrophobicContact CE1-CE2 3.85Å; F60-F154 AromaticContact CE1-CG 3.77Å; F60-F154 HydrophobicContact CE1-CG 3.77Å; F60-F154 AromaticContact CE1-CZ 3.79Å; F60-F154 HydrophobicContact CE1-CZ 3.79Å; F60-F154 HydrophobicContact CZ-CD2 4.03Å; F60-F154 AromaticContact CZ-CE2 3.93Å; F60-F154 HydrophobicContact CZ-CE2 3.93Å; F60-F154 HydrophobicContact CZ-CG 4.41Å; F60-F154 HydrophobicContact CZ-CZ 4.21Å
61S98Very high97.2Very high52 Ų5256.5 Ų56.536%0.36431%0.308SS..Hα-helixtrans-60.9-47177.4-60.70000111.4S57 L58 M59 F65S57-S61 WeakPolarHBondContact O-CB 3.32Å; S57-S61 PolarHBondContact O-N 3.09Å; S57-S61 PolarHBondContact O-OG 3.07Å; L58-S61 PolarHBondContact O-N 3.34Å; M59-S61 VanDerWaalsContact C-N 3.32Å; M59-S61 PolarHBondContact O-N 2.95Å; S61-F65 VanDerWaalsContact O-CB 3.28Å; S61-F65 WeakPolarHBondContact O-CB 3.34Å; S61-F65 WeakPolarHBondContact O-CD2 3.41Å; S61-F65 PolarHBondContact O-N 2.83Å
62V98.1Very high97.4Very high30 Ų3054.9 Ų54.918%0.18230%0.299CS..Hα-helixtrans-64.2-49.7177172.30000110.8L58 M59 C64 T66 L159 L193 I197L58-V62 HydrophobicContact CD1-CG2 4.15Å; L58-V62 WeakPolarHBondContact O-CG2 3.4Å; L58-V62 PolarHBondContact O-N 2.85Å; M59-V62 PolarHBondContact O-N 3.23Å; V62-C64 VanDerWaalsContact C-N 3.34Å; V62-C64 PolarHBondContact O-N 3.26Å; V62-T66 WeakPolarHBondContact O-CB 3.34Å; V62-T66 PolarHBondContact O-N 3.41Å; V62-T66 VanDerWaalsContact O-N 3.13Å; V62-T66 PolarHBondContact O-OG1 2.87Å; V62-L159 HydrophobicContact CG1-CD1 3.99Å; V62-L159 HydrophobicContact CG1-CD2 4.04Å; V62-L159 HydrophobicContact CG1-CG 4.32Å; V62-L193 HydrophobicContact CG1-CD2 3.93Å; V62-I197 HydrophobicContact CB-CD1 4.42Å; V62-I197 HydrophobicContact CG1-CD1 4Å
63A98.2Very high97.4Very high1 Ų157.2 Ų57.21%0.00831%0.311CS..Hα-helixtrans-61.8-39.6-177.900000112.9M59 F60 P67 F154 G158M59-A63 WeakPolarHBondContact O-CB 3.08Å; M59-A63 PolarHBondContact O-N 3.48Å; F60-A63 PolarHBondContact O-N 3.33Å; A63-P67 VanDerWaalsContact O-CD 3.27Å; A63-P67 WeakPolarHBondContact O-CD 3.46Å; A63-P67 WeakPolarHBondContact O-CG 3.43Å; A63-F154 WeakPolarHBondContact CB-O 3.26Å; A63-G158 WeakPolarHBondContact O-CA 3.46Å
64C97.3Very high97.4Very high39 Ų3951.6 Ų51.626%0.26429%0.285SS..Hα-helixtrans-81.7-49-178.8-68.70000112.4F60 V62 P67 F68F60-C64 WeakPolarHBondContact O-CB 3.35Å; F60-C64 PolarHBondContact O-N 3.45Å; F60-C64 PolarHBondContact O-SG 2.74Å; F60-C64 VanDerWaalsContact O-SG 3.34Å; V62-C64 VanDerWaalsContact C-N 3.34Å; V62-C64 PolarHBondContact O-N 3.26Å; C64-P67 WeakPolarHBondContact O-CD 3.39Å; C64-F68 WeakPolarHBondContact O-CD2 3.39Å; C64-F68 WeakPolarHBondContact O-CE2 3.33Å
65F97.9Very high97.2Very high128 Ų12853.2 Ų53.256%0.56129%0.294SS*.Hα-helixtrans-85.4-32.9-169.4-63.8-62.3000114.1S61 F68 L69S61-F65 VanDerWaalsContact O-CB 3.28Å; S61-F65 WeakPolarHBondContact O-CB 3.34Å; S61-F65 WeakPolarHBondContact O-CD2 3.41Å; S61-F65 PolarHBondContact O-N 2.83Å; F65-F68 PolarHBondContact O-N 2.63Å; F65-F68 VanDerWaalsContact O-N 3.14Å; F65-L69 WeakPolarHBondContact O-CG 3.41Å; F65-L69 PolarHBondContact O-N 3.48Å
66T98.3Very high97Very high36 Ų3658.8 Ų58.822%0.22131%0.313CS..Hα-helixtrans-55.5-45.5179.8-62.30000113.2V62 F68 L69 V70 L159 T162V62-T66 WeakPolarHBondContact O-CB 3.34Å; V62-T66 PolarHBondContact O-N 3.41Å; V62-T66 VanDerWaalsContact O-N 3.13Å; V62-T66 PolarHBondContact O-OG1 2.87Å; T66-F68 PolarHBondContact O-N 2.84Å; T66-L69 PolarHBondContact O-N 3.3Å; T66-V70 HydrophobicContact CG2-CG2 4.45Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 3.08Å; T66-L159 HydrophobicContact CG2-CD2 3.68Å; T66-T162 HydrophobicContact CG2-CG2 4.24Å
67P98.1Very high96.9Very high1 Ų159.8 Ų59.81%0.00632%0.316CS..Hα-helixtrans-56.3-47.2174.5-22.729.1000113.3A63 C64 V70 I71 V92 G158 F161 T162A63-P67 VanDerWaalsContact O-CD 3.27Å; A63-P67 WeakPolarHBondContact O-CD 3.46Å; A63-P67 WeakPolarHBondContact O-CG 3.43Å; C64-P67 WeakPolarHBondContact O-CD 3.39Å; P67-V70 PolarHBondContact O-N 3.48Å; P67-I71 WeakPolarHBondContact O-CD1 3.42Å; P67-I71 WeakPolarHBondContact O-CG1 3.39Å; P67-I71 PolarHBondContact O-N 3.47Å; P67-V92 HydrophobicContact CB-CB 4.49Å; P67-V92 HydrophobicContact CB-CG2 3.74Å; P67-V92 HydrophobicContact CG-CG2 3.81Å; P67-G158 WeakPolarHBondContact CG-O 3.35Å; P67-F161 HydrophobicContact CB-CD1 4.31Å; P67-T162 WeakPolarHBondContact CA-OG1 3.22Å; P67-T162 WeakPolarHBondContact CG-OG1 3.36Å
68F97.6Very high96.6Very high64 Ų6465 Ų6528%0.28133%0.327SS..Hα-helixtrans-65-42.7-179.6-67.5-68.4000111.7C64 F65 T66 V70 I71 L72 V92 T93C64-F68 WeakPolarHBondContact O-CD2 3.39Å; C64-F68 WeakPolarHBondContact O-CE2 3.33Å; F65-F68 PolarHBondContact O-N 2.63Å; F65-F68 VanDerWaalsContact O-N 3.14Å; T66-F68 PolarHBondContact O-N 2.84Å; F68-V70 VanDerWaalsContact C-N 3.29Å; F68-V70 PolarHBondContact O-N 3.07Å; F68-I71 PolarHBondContact O-N 3.2Å; F68-L72 WeakPolarHBondContact O-CB 3.26Å; F68-L72 VanDerWaalsContact O-CG 3.26Å; F68-L72 WeakPolarHBondContact O-CG 3.38Å; F68-L72 PolarHBondContact O-N 3.4Å; F68-V92 HydrophobicContact CE1-CG1 4.06Å; F68-V92 HydrophobicContact CE2-CG1 4.47Å; F68-V92 HydrophobicContact CZ-CG1 3.87Å; F68-T93 HydrophobicContact CZ-CG2 3.84Å
69L97.8Very high95.9Very high113 Ų11367 Ų6759%0.59233%0.329SS*.Hα-helixtrans-58.9-42.5175.8-68.9174.1000111.3F65 T66 L72 L73F65-L69 WeakPolarHBondContact O-CG 3.41Å; F65-L69 PolarHBondContact O-N 3.48Å; T66-L69 PolarHBondContact O-N 3.3Å; L69-L72 PolarHBondContact O-N 3.41Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 PolarHBondContact O-N 3.26Å
70V97.9Very high95.5Very high26 Ų2668.4 Ų68.416%0.15834%0.338CS..Hα-helixtrans-68.3-42.1176.9172.20000111.6T66 P67 F68 L72 L73 F74 T162 Y165 V166T66-V70 HydrophobicContact CG2-CG2 4.45Å; T66-V70 WeakPolarHBondContact O-CG2 3.49Å; T66-V70 PolarHBondContact O-N 3.08Å; P67-V70 PolarHBondContact O-N 3.48Å; F68-V70 VanDerWaalsContact C-N 3.29Å; F68-V70 PolarHBondContact O-N 3.07Å; V70-L72 VanDerWaalsContact C-N 3.33Å; V70-L72 PolarHBondContact O-N 2.97Å; V70-L73 PolarHBondContact O-N 3.26Å; V70-F74 HydrophobicContact CG1-CD2 3.82Å; V70-F74 HydrophobicContact CG1-CE2 3.9Å; V70-F74 WeakPolarHBondContact O-CD2 3.14Å; V70-F74 PolarHBondContact O-N 3.48Å; V70-T162 HydrophobicContact CB-CG2 4.08Å; V70-T162 HydrophobicContact CG1-CG2 4.18Å; V70-T162 HydrophobicContact CG2-CG2 3.74Å; V70-Y165 HydrophobicContact CG1-CD1 4.05Å; V70-Y165 HydrophobicContact CG1-CE1 4.29Å; V70-V166 HydrophobicContact CG1-CG2 3.67Å
71I97.1Very high94.9Very high2 Ų268.5 Ų68.51%0.0134%0.339CS..Hα-helixtrans-58.3-47.2174.9-68.5159.8000110.5P67 F68 F74 T75 V85 A88 Y165P67-I71 WeakPolarHBondContact O-CD1 3.42Å; P67-I71 WeakPolarHBondContact O-CG1 3.39Å; P67-I71 PolarHBondContact O-N 3.47Å; F68-I71 PolarHBondContact O-N 3.2Å; I71-F74 PolarHBondContact O-N 3.4Å; I71-T75 WeakPolarHBondContact O-CB 3.34Å; I71-T75 PolarHBondContact O-N 2.94Å; I71-T75 PolarHBondContact O-OG1 2.84Å; I71-V85 HydrophobicContact CG2-CB 4.28Å; I71-V85 HydrophobicContact CG2-CG1 4.1Å; I71-V85 HydrophobicContact CG2-CG2 4.08Å; I71-A88 HydrophobicContact CD1-CB 3.55Å; I71-A88 HydrophobicContact CG1-CB 3.87Å; I71-A88 HydrophobicContact CG2-CB 4.44Å; I71-Y165 HydrophobicContact CB-CE1 4.43Å; I71-Y165 HydrophobicContact CG1-CD1 4.29Å; I71-Y165 HydrophobicContact CG1-CE1 3.86Å; I71-Y165 HydrophobicContact CG1-CE2 4.23Å
72L95.8Very high94.1Very high104 Ų10470.9 Ų70.955%0.54536%0.356SS..Hα-helixtrans-63.7-41.6177.8-69.1175.6000111.8F68 L69 V70 T75 F76F68-L72 WeakPolarHBondContact O-CB 3.26Å; F68-L72 VanDerWaalsContact O-CG 3.26Å; F68-L72 WeakPolarHBondContact O-CG 3.38Å; F68-L72 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 3.41Å; V70-L72 VanDerWaalsContact C-N 3.33Å; V70-L72 PolarHBondContact O-N 2.97Å; L72-T75 WeakPolarHBondContact O-CB 3.45Å; L72-T75 PolarHBondContact O-N 2.69Å; L72-F76 WeakPolarHBondContact O-CB 3.28Å; L72-F76 PolarHBondContact O-N 3.37Å
73L96.7Very high93.4Very high90 Ų9071 Ų7147%0.47136%0.362SS..Hα-helixtrans-58.9-50.5175.6175.663.6000111.6L69 V70 T75 F76 L77L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 PolarHBondContact O-N 3.26Å; V70-L73 PolarHBondContact O-N 3.26Å; L73-T75 PolarHBondContact O-N 3Å; L73-F76 PolarHBondContact O-N 2.84Å; L73-L77 HydrophobicContact CD1-CD1 4.05Å; L73-L77 HydrophobicContact CD1-CG 4.22Å; L73-L77 HydrophobicContact CG-CD1 4.06Å; L73-L77 WeakPolarHBondContact O-CB 3.36Å; L73-L77 VanDerWaalsContact O-CG 3.27Å; L73-L77 WeakPolarHBondContact O-CG 3.17Å; L73-L77 PolarHBondContact O-N 2.9Å
74F95.6Very high93.2Very high16 Ų1670.9 Ų70.97%0.0736%0.362CS..Hα-helixtrans-64.2-31.2178-87.1-93.3000112.4V70 I71 K78 R79 V80 Y165 V166 K169 L170V70-F74 HydrophobicContact CG1-CD2 3.82Å; V70-F74 HydrophobicContact CG1-CE2 3.9Å; V70-F74 WeakPolarHBondContact O-CD2 3.14Å; V70-F74 PolarHBondContact O-N 3.48Å; I71-F74 PolarHBondContact O-N 3.4Å; F74-K78 PolarHBondContact O-N 2.8Å; F74-R79 HydrophobicContact CD1-CB 3.89Å; F74-R79 PolarHBondContact O-N 3.12Å; F74-V80 VanDerWaalsContact C-CG2 3.45Å; F74-V80 HydrophobicContact CB-CG2 3.71Å; F74-V80 WeakPolarHBondContact O-CG2 3.48Å; F74-Y165 HydrophobicContact CB-CE1 4.34Å; F74-Y165 HydrophobicContact CD2-CE1 4.26Å; F74-Y165 HydrophobicContact CG-CE1 4.38Å; F74-V166 HydrophobicContact CE2-CG2 4.1Å; F74-K169 HydrophobicContact CD1-CB 3.58Å; F74-K169 HydrophobicContact CD1-CG 3.95Å; F74-K169 HydrophobicContact CE1-CB 3.39Å; F74-K169 HydrophobicContact CE1-CG 4.22Å; F74-K169 HydrophobicContact CG-CB 4.37Å; F74-K169 HydrophobicContact CG-CG 4.34Å; F74-K169 HydrophobicContact CZ-CB 4.05Å; F74-L170 HydrophobicContact CE1-CD2 3.82Å; F74-L170 HydrophobicContact CE1-CG 4.23Å; F74-L170 HydrophobicContact CZ-CD2 3.92Å; F74-L170 HydrophobicContact CZ-CG 4.01Å
75T93.3Very high93Very high55 Ų5571.6 Ų71.634%0.33737%0.365SS..Hα-helixtrans-66-48.1173.5-56.10000111.1I71 L72 L73 L77 K78 V85I71-T75 WeakPolarHBondContact O-CB 3.34Å; I71-T75 PolarHBondContact O-N 2.94Å; I71-T75 PolarHBondContact O-OG1 2.84Å; L72-T75 WeakPolarHBondContact O-CB 3.45Å; L72-T75 PolarHBondContact O-N 2.69Å; L73-T75 PolarHBondContact O-N 3Å; T75-L77 VanDerWaalsContact C-N 3.31Å; T75-L77 PolarHBondContact O-N 3.42Å; T75-K78 PolarHBondContact O-N 3.02Å; T75-V85 HydrophobicContact CG2-CG2 4.09Å; T75-V85 VanDerWaalsContact OG1-CG2 3.22Å; T75-V85 WeakPolarHBondContact OG1-CG2 3.33Å
76F94.1Very high92.8Very high171 Ų17168.2 Ų68.275%0.7535%0.348SS*.Hα-helixtrans-60.1-40.8176.2177.5-100000112.1L72 L73 K78L72-F76 WeakPolarHBondContact O-CB 3.28Å; L72-F76 PolarHBondContact O-N 3.37Å; L73-F76 PolarHBondContact O-N 2.84Å; F76-K78 PolarHBondContact O-N 3Å
77L93.6Very high92.6Very high89 Ų8967.1 Ų67.147%0.46634%0.341SS..THydrogen-bonded Turntrans-71.45.7175.3-64.4175.9000113.9L73 T75 R79L73-L77 HydrophobicContact CD1-CD1 4.05Å; L73-L77 HydrophobicContact CD1-CG 4.22Å; L73-L77 HydrophobicContact CG-CD1 4.06Å; L73-L77 WeakPolarHBondContact O-CB 3.36Å; L73-L77 VanDerWaalsContact O-CG 3.27Å; L73-L77 WeakPolarHBondContact O-CG 3.17Å; L73-L77 PolarHBondContact O-N 2.9Å; T75-L77 VanDerWaalsContact C-N 3.31Å; T75-L77 PolarHBondContact O-N 3.42Å; L77-R79 HydrophobicContact CB-CG 4.25Å; L77-R79 PolarHBondContact O-N 3.43Å; L77-R79 VanDerWaalsContact O-N 3.12Å
78K88.8Confident92.5Very high194 Ų19467.1 Ų67.184%0.84334%0.34SS*.THydrogen-bonded Turntrans52.231.8-177.7-59.2-175.1178.6179.90113.4F74 T75 F76 V80F74-K78 PolarHBondContact O-N 2.8Å; T75-K78 PolarHBondContact O-N 3.02Å; F76-K78 PolarHBondContact O-N 3Å; K78-V80 VanDerWaalsContact C-N 3.32Å
79R84.7Confident92.5Very high131 Ų13165.4 Ų65.449%0.49434%0.337SS..  trans-9719.5177.2-69.2-157.5177.5179.64.1112.9F74 L77 L170F74-R79 HydrophobicContact CD1-CB 3.89Å; F74-R79 PolarHBondContact O-N 3.12Å; L77-R79 HydrophobicContact CB-CG 4.25Å; L77-R79 PolarHBondContact O-N 3.43Å; L77-R79 VanDerWaalsContact O-N 3.12Å; R79-L170 VanDerWaalsContact NH1-CD2 3.34Å
80V88.8Confident92.4Very high31 Ų3160.8 Ų60.819%0.18831%0.313CS..  trans-132.4139.4-168.6172.30000109.2F74 K78 D84 V85F74-V80 VanDerWaalsContact C-CG2 3.45Å; F74-V80 HydrophobicContact CB-CG2 3.71Å; F74-V80 WeakPolarHBondContact O-CG2 3.48Å; K78-V80 VanDerWaalsContact C-N 3.32Å; V80-D84 HydrophobicContact CG1-CB 3.35Å; V80-D84 WeakPolarHBondContact CG1-OD2 3.33Å; V80-V85 HydrophobicContact CG1-CG2 4.49Å
81E85.2Confident92.3Very high65 Ų6559.6 Ų59.630%0.30431%0.305SS..  trans-89.8166.9176-64.2-170.1157.500111.4G83 D84 R241E81-G83 PolarHBondContact O-N 3.3Å; E81-D84 VanDerWaalsContact O-CB 3.28Å; E81-D84 WeakPolarHBondContact O-CB 3.35Å; E81-D84 PolarHBondContact O-N 3.44Å; E81-R241 VanDerWaalsContact CD-NE 3.3Å; E81-R241 IonicContact OE1-CZ 3.39Å; E81-R241 IonicContact OE1-NE 2.68Å; E81-R241 PolarHBondContact OE1-NE 2.85Å; E81-R241 IonicContact OE1-NH2 3.41Å; E81-R241 PolarHBondContact OE1-NH2 3.05Å; E81-R241 WeakPolarHBondContact OE2-CD 3.34Å; E81-R241 VanDerWaalsContact OE2-CG 3.32Å; E81-R241 WeakPolarHBondContact OE2-CG 3.45Å; E81-R241 IonicContact OE2-NE 3.98Å; E81-R241 PolarHBondContact OE2-NE 3.38Å
82S80.8Confident92.4Very high103 Ų10359.5 Ų59.572%0.7231%0.305SS*.THydrogen-bonded Turntrans-52.6141175.5-167.80000110.7D84 H245S82-D84 PolarHBondContact O-N 2.88Å; S82-H245 PolarHBondContact O-CD2 3.05Å; S82-H245 PolarHBondContact O-CE1 3.36Å; S82-H245 PolarHBondContact O-NE2 2.95Å
83G85Confident92.5Very high31 Ų3156.6 Ų56.632%0.3229%0.291SS..THydrogen-bonded Turntrans73.1-9.117700000116.9E81 V85 R86 E87E81-G83 PolarHBondContact O-N 3.3Å; G83-V85 PolarHBondContact O-N 3.07Å; G83-R86 WeakPolarHBondContact O-CB 3.41Å; G83-R86 PolarHBondContact O-N 3.26Å; G83-R86 VanDerWaalsContact O-N 3.13Å; G83-E87 PolarHBondContact O-N 3.43Å; G83-E87 VanDerWaalsContact O-N 3.08Å
84D91.9Very high92.6Very high0 Ų053.6 Ų53.60%028%0.275CS..Hα-helixtrans-64.2-39.5-179.1-177.680.2000113.7V80 E81 S82 R86 E87 A88 Y165 K169 Y231 P242V80-D84 HydrophobicContact CG1-CB 3.35Å; V80-D84 WeakPolarHBondContact CG1-OD2 3.33Å; E81-D84 VanDerWaalsContact O-CB 3.28Å; E81-D84 WeakPolarHBondContact O-CB 3.35Å; E81-D84 PolarHBondContact O-N 3.44Å; S82-D84 PolarHBondContact O-N 2.88Å; D84-R86 PolarHBondContact O-N 3.48Å; D84-E87 PolarHBondContact O-N 3.46Å; D84-A88 WeakPolarHBondContact O-CB 3.35Å; D84-A88 PolarHBondContact O-N 2.93Å; D84-Y165 PolarHBondContact OD2-OH 3Å; D84-K169 IonicContact OD1-NZ 3.26Å; D84-K169 PolarHBondContact OD1-NZ 3.41Å; D84-K169 WeakPolarHBondContact OD2-CE 3.14Å; D84-K169 IonicContact OD2-NZ 3.9Å; D84-K169 PolarHBondContact OD2-NZ 3.44Å; D84-Y231 PolarHBondContact O-OH 3.38Å; D84-Y231 VanDerWaalsContact OD1-CE1 3.28Å; D84-Y231 WeakPolarHBondContact OD1-CE1 3.23Å; D84-Y231 PolarHBondContact OD1-OH 3.43Å; D84-P242 HydrophobicContact CB-CG 3.89Å; D84-P242 WeakPolarHBondContact OD1-CD 3.48Å; D84-P242 WeakPolarHBondContact OD1-CG 3.26Å
85V94.1Very high92.7Very high53 Ų5352.8 Ų52.832%0.32127%0.272SS..Hα-helixtrans-55-41173.8176.70000110.6I71 T75 V80 G83 S89I71-V85 HydrophobicContact CG2-CB 4.28Å; I71-V85 HydrophobicContact CG2-CG1 4.1Å; I71-V85 HydrophobicContact CG2-CG2 4.08Å; T75-V85 HydrophobicContact CG2-CG2 4.09Å; T75-V85 VanDerWaalsContact OG1-CG2 3.22Å; T75-V85 WeakPolarHBondContact OG1-CG2 3.33Å; V80-V85 HydrophobicContact CG1-CG2 4.49Å; G83-V85 PolarHBondContact O-N 3.07Å; V85-S89 WeakPolarHBondContact O-CB 3.28Å; V85-S89 PolarHBondContact O-N 2.88Å; V85-S89 PolarHBondContact O-OG 3.41Å
86R93.1Very high92.9Very high58 Ų5850.9 Ų50.922%0.21926%0.26CS..Hα-helixtrans-66.9-51178.1179.1-170.7174.4-175.33.1110.7G83 D84 S89 L90G83-R86 WeakPolarHBondContact O-CB 3.41Å; G83-R86 PolarHBondContact O-N 3.26Å; G83-R86 VanDerWaalsContact O-N 3.13Å; D84-R86 PolarHBondContact O-N 3.48Å; R86-S89 PolarHBondContact O-N 3.31Å; R86-L90 HydrophobicContact CG-CD1 3.95Å; R86-L90 HydrophobicContact CG-CG 4.35Å; R86-L90 WeakPolarHBondContact O-CB 3.49Å; R86-L90 VanDerWaalsContact O-CG 3.26Å; R86-L90 WeakPolarHBondContact O-CG 3.38Å; R86-L90 PolarHBondContact O-N 3.03Å
87E94.4Very high93.1Very high13 Ų1343.8 Ų43.86%0.06123%0.23CC..Hα-helixtrans-64-42.5-177.6-62.2-60.2147.300111.6G83 D84 S89 L90 A91 H230 P242 R244G83-E87 PolarHBondContact O-N 3.43Å; G83-E87 VanDerWaalsContact O-N 3.08Å; D84-E87 PolarHBondContact O-N 3.46Å; E87-S89 PolarHBondContact O-N 2.76Å; E87-L90 PolarHBondContact O-N 3.4Å; E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.33Å; E87-H230 IonicContact OE2-CE1 3.18Å; E87-H230 PolarHBondContact OE2-CE1 2.63Å; E87-H230 IonicContact OE2-CG 3.27Å; E87-H230 IonicContact OE2-ND1 2.7Å; E87-H230 PolarHBondContact OE2-ND1 2.92Å; E87-P242 HydrophobicContact CB-CB 4Å; E87-P242 HydrophobicContact CB-CG 4.24Å; E87-P242 HydrophobicContact CG-CB 3.91Å; E87-P242 HydrophobicContact CG-CG 4.34Å; E87-R244 VanDerWaalsContact OE1-CD 3.29Å; E87-R244 WeakPolarHBondContact OE1-CD 3.16Å; E87-R244 IonicContact OE1-NH1 2.82Å
88A96.6Very high93.4Very high0 Ų041.3 Ų41.30%022%0.217CC..Hα-helixtrans-62.1-43173.700000112.3I71 D84 A91 V92 F161 Y165 Y231I71-A88 HydrophobicContact CD1-CB 3.55Å; I71-A88 HydrophobicContact CG1-CB 3.87Å; I71-A88 HydrophobicContact CG2-CB 4.44Å; D84-A88 WeakPolarHBondContact O-CB 3.35Å; D84-A88 PolarHBondContact O-N 2.93Å; A88-A91 PolarHBondContact O-N 2.99Å; A88-V92 WeakPolarHBondContact O-CG1 3.19Å; A88-V92 PolarHBondContact O-N 3.35Å; A88-F161 HydrophobicContact CB-CZ 4.4Å; A88-F161 WeakPolarHBondContact O-CZ 3.18Å; A88-Y165 HydrophobicContact CB-CD2 4.15Å; A88-Y165 HydrophobicContact CB-CE2 3.77Å; A88-Y231 HydrophobicContact CB-CE2 4.33Å; A88-Y231 WeakPolarHBondContact CB-OH 3.28Å; A88-Y231 PolarHBondContact N-OH 3.45Å
89S96.4Very high93.8Very high29 Ų2932.1 Ų32.120%0.20318%0.177CC..Hα-helixtrans-65.1-41.6177.4-610000111.8V85 R86 E87 A91 T93V85-S89 WeakPolarHBondContact O-CB 3.28Å; V85-S89 PolarHBondContact O-N 2.88Å; V85-S89 PolarHBondContact O-OG 3.41Å; R86-S89 PolarHBondContact O-N 3.31Å; E87-S89 PolarHBondContact O-N 2.76Å; S89-A91 VanDerWaalsContact C-N 3.34Å; S89-T93 WeakPolarHBondContact O-CB 3.42Å; S89-T93 VanDerWaalsContact O-CG2 3.22Å; S89-T93 WeakPolarHBondContact O-CG2 3.49Å; S89-T93 PolarHBondContact O-N 3.31Å; S89-T93 VanDerWaalsContact O-N 3.1Å; S89-T93 PolarHBondContact O-OG1 2.95Å
90L95.9Very high94.5Very high16 Ų1625.9 Ų25.98%0.08415%0.154CC..Hα-helixtrans-63.7-41.1175.6-73.6175.8000111.3L9 E12 R16 R86 E87 T93 L94L9-L90 HydrophobicContact CD1-CD2 4.26Å; E12-L90 HydrophobicContact CB-CD2 4.15Å; R16-L90 PolarHBondContact NE-O 2.98Å; R16-L90 PolarHBondContact NH2-O 2.82Å; R86-L90 HydrophobicContact CG-CD1 3.95Å; R86-L90 HydrophobicContact CG-CG 4.35Å; R86-L90 WeakPolarHBondContact O-CB 3.49Å; R86-L90 VanDerWaalsContact O-CG 3.26Å; R86-L90 WeakPolarHBondContact O-CG 3.38Å; R86-L90 PolarHBondContact O-N 3.03Å; E87-L90 PolarHBondContact O-N 3.4Å; L90-T93 PolarHBondContact O-OG1 3.27Å; L90-L94 VanDerWaalsContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 PolarHBondContact O-N 3.45Å
91A97.1Very high94.9Very high0 Ų025.4 Ų25.40%015%0.151CC..Hα-helixtrans-65.5-50.9178.600000112.1E87 A88 S89 L94 A95 F161 C226 H230E87-A91 WeakPolarHBondContact O-CB 3.46Å; E87-A91 PolarHBondContact O-N 3.33Å; A88-A91 PolarHBondContact O-N 2.99Å; S89-A91 VanDerWaalsContact C-N 3.34Å; A91-L94 PolarHBondContact O-N 2.94Å; A91-A95 WeakPolarHBondContact O-CB 3.35Å; A91-A95 PolarHBondContact O-N 3.5Å; A91-F161 HydrophobicContact CB-CE2 3.47Å; A91-F161 VanDerWaalsContact CB-CE2 3.47Å; A91-F161 HydrophobicContact CB-CZ 3.8Å; A91-C226 WeakPolarHBondContact O-CB 3.35Å; A91-H230 HydrophobicContact CB-CB 4.05Å; A91-H230 VanDerWaalsContact CB-CD2 3.45Å; A91-H230 WeakPolarHBondContact CB-CD2 3.37Å
92V98.3Very high95.6Very high0 Ų027.2 Ų27.20%016%0.158CC..Hα-helixtrans-68.3-40.6-175.971.10000112.6P67 F68 A88 L94 A95 L96 F161P67-V92 HydrophobicContact CB-CB 4.49Å; P67-V92 HydrophobicContact CB-CG2 3.74Å; P67-V92 HydrophobicContact CG-CG2 3.81Å; F68-V92 HydrophobicContact CE1-CG1 4.06Å; F68-V92 HydrophobicContact CE2-CG1 4.47Å; F68-V92 HydrophobicContact CZ-CG1 3.87Å; A88-V92 WeakPolarHBondContact O-CG1 3.19Å; A88-V92 PolarHBondContact O-N 3.35Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.4Å; V92-A95 PolarHBondContact O-N 3.02Å; V92-L96 HydrophobicContact CG2-CD1 4.19Å; V92-L96 WeakPolarHBondContact O-CG 3.48Å; V92-L96 PolarHBondContact O-N 2.9Å; V92-F161 HydrophobicContact CB-CD1 3.66Å; V92-F161 HydrophobicContact CB-CD2 4.44Å; V92-F161 HydrophobicContact CB-CE1 3.72Å; V92-F161 HydrophobicContact CB-CE2 4.48Å; V92-F161 HydrophobicContact CB-CG 4.04Å; V92-F161 HydrophobicContact CB-CZ 4.14Å; V92-F161 HydrophobicContact CG2-CB 4.29Å; V92-F161 HydrophobicContact CG2-CD1 3.7Å; V92-F161 HydrophobicContact CG2-CE1 4.26Å; V92-F161 HydrophobicContact CG2-CG 3.99Å
93T98.1Very high96.4Very high43 Ų4322.3 Ų22.326%0.26412%0.124SC..Hα-helixtrans-64.9-40.517951.10000111.4R16 F68 S89 L90 V97R16-T93 WeakPolarHBondContact CD-OG1 3.27Å; R16-T93 PolarHBondContact NE-OG1 3.13Å; F68-T93 HydrophobicContact CZ-CG2 3.84Å; S89-T93 WeakPolarHBondContact O-CB 3.42Å; S89-T93 VanDerWaalsContact O-CG2 3.22Å; S89-T93 WeakPolarHBondContact O-CG2 3.49Å; S89-T93 PolarHBondContact O-N 3.31Å; S89-T93 VanDerWaalsContact O-N 3.1Å; S89-T93 PolarHBondContact O-OG1 2.95Å; L90-T93 PolarHBondContact O-OG1 3.27Å; T93-V97 WeakPolarHBondContact O-CG2 3.45Å; T93-V97 PolarHBondContact O-N 2.96Å
94L98Very high97.1Very high27 Ų2721.1 Ų21.114%0.14111%0.11CC..Hα-helixtrans-64.7-43.9175.1-176.862.1000111.4R16 L19 L90 A91 V92 L96 V97 L98R16-L94 HydrophobicContact CG-CD1 4.44Å; L19-L94 HydrophobicContact CD1-CD1 4.1Å; L90-L94 VanDerWaalsContact O-CB 3.28Å; L90-L94 WeakPolarHBondContact O-CB 3.26Å; L90-L94 PolarHBondContact O-N 3.45Å; A91-L94 PolarHBondContact O-N 2.94Å; V92-L94 VanDerWaalsContact C-N 3.33Å; V92-L94 PolarHBondContact O-N 3.4Å; L94-L96 PolarHBondContact O-N 2.94Å; L94-V97 WeakPolarHBondContact O-CG2 3.43Å; L94-V97 PolarHBondContact O-N 3.07Å; L94-L98 HydrophobicContact CD1-CD1 3.75Å; L94-L98 HydrophobicContact CD1-CG 3.91Å; L94-L98 HydrophobicContact CD2-CD1 4.35Å; L94-L98 HydrophobicContact CG-CD1 3.7Å; L94-L98 HydrophobicContact CG-CG 4.26Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.26Å; L94-L98 WeakPolarHBondContact O-CG 3.27Å; L94-L98 PolarHBondContact O-N 3.27Å
95A98.5Very high97.4Very high0 Ų023.2 Ų23.20%013%0.128CC..Hα-helixtrans-58-47.6178.600000111.7A91 V92 N99 T157 C226A91-A95 WeakPolarHBondContact O-CB 3.35Å; A91-A95 PolarHBondContact O-N 3.5Å; V92-A95 PolarHBondContact O-N 3.02Å; A95-N99 WeakPolarHBondContact O-CB 3.49Å; A95-N99 PolarHBondContact O-N 2.92Å; A95-T157 HydrophobicContact CB-CG2 3.73Å; A95-T157 WeakPolarHBondContact O-CG2 3.39Å; A95-C226 VanDerWaalsContact CA-SG 3.59Å; A95-C226 HydrophobicContact CB-CB 3.74Å
96L98.5Very high97.6Very high14 Ų1423.2 Ų23.27%0.07313%0.125CC..Hα-helixtrans-62.3-48.8-178.8-72167.8000112.2V92 L94 G100 F154 T157V92-L96 HydrophobicContact CG2-CD1 4.19Å; V92-L96 WeakPolarHBondContact O-CG 3.48Å; V92-L96 PolarHBondContact O-N 2.9Å; L94-L96 PolarHBondContact O-N 2.94Å; L96-G100 PolarHBondContact O-N 3.08Å; L96-F154 HydrophobicContact CD2-CD1 4.11Å; L96-F154 WeakPolarHBondContact O-CE1 3.41Å; L96-T157 HydrophobicContact CD2-CG2 4Å; L96-T157 HydrophobicContact CG-CG2 4.34Å
97V98.3Very high97.8Very high22 Ų2220.9 Ų20.913%0.13312%0.117CC..Hα-helixtrans-71.8-37.7-178.1-59.80000112.3R16 L19 L20 T93 L94 G100 V101R16-V97 HydrophobicContact CG-CG2 4.48Å; L19-V97 HydrophobicContact CB-CB 4.04Å; L19-V97 HydrophobicContact CB-CG2 3.8Å; L19-V97 HydrophobicContact CD1-CG2 3.91Å; L20-V97 HydrophobicContact CB-CG1 4.32Å; T93-V97 WeakPolarHBondContact O-CG2 3.45Å; T93-V97 PolarHBondContact O-N 2.96Å; L94-V97 WeakPolarHBondContact O-CG2 3.43Å; L94-V97 PolarHBondContact O-N 3.07Å; V97-G100 PolarHBondContact O-N 3.34Å; V97-V101 WeakPolarHBondContact O-CG2 3.45Å; V97-V101 PolarHBondContact O-N 3.18Å
98L98.1Very high98Very high38 Ų3821.6 Ų21.620%0.19912%0.121CC..Hα-helixtrans-64.1-47.4174.5-78.2176.1000111.3L19 L94 G100 V101 F102 F222L19-L98 HydrophobicContact CD1-CD2 3.61Å; L19-L98 HydrophobicContact CD1-CG 4.01Å; L19-L98 HydrophobicContact CD2-CD2 4.11Å; L94-L98 HydrophobicContact CD1-CD1 3.75Å; L94-L98 HydrophobicContact CD1-CG 3.91Å; L94-L98 HydrophobicContact CD2-CD1 4.35Å; L94-L98 HydrophobicContact CG-CD1 3.7Å; L94-L98 HydrophobicContact CG-CG 4.26Å; L94-L98 VanDerWaalsContact O-CB 3.31Å; L94-L98 WeakPolarHBondContact O-CB 3.26Å; L94-L98 WeakPolarHBondContact O-CG 3.27Å; L94-L98 PolarHBondContact O-N 3.27Å; L98-G100 VanDerWaalsContact C-N 3.27Å; L98-G100 PolarHBondContact O-N 2.82Å; L98-V101 PolarHBondContact O-N 3.36Å; L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 3.49Å; L98-F102 VanDerWaalsContact O-N 3.08Å; L98-F222 HydrophobicContact CB-CD1 3.94Å; L98-F222 HydrophobicContact CB-CE1 4.06Å
99N98.7Very high98.1Very high0 Ų026.8 Ų26.80%015%0.152CC..Hα-helixtrans-56.3-44.9175.3175.477.8000111.2A95 F102 T103 S153 T157 F222A95-N99 WeakPolarHBondContact O-CB 3.49Å; A95-N99 PolarHBondContact O-N 2.92Å; N99-F102 PolarHBondContact O-N 3.29Å; N99-T103 WeakPolarHBondContact O-CB 3.46Å; N99-T103 PolarHBondContact O-N 3.45Å; N99-T103 PolarHBondContact O-OG1 3.19Å; N99-S153 WeakPolarHBondContact ND2-CB 3.31Å; N99-S153 PolarHBondContact ND2-OG 2.9Å; N99-S153 VanDerWaalsContact ND2-OG 3.09Å; N99-T157 HydrophobicContact CB-CG2 4.03Å; N99-T157 WeakPolarHBondContact CB-OG1 3.48Å; N99-T157 PolarHBondContact ND2-OG1 3.48Å; N99-T157 PolarHBondContact OD1-OG1 3.49Å; N99-F222 HydrophobicContact CB-CB 4.2Å; N99-F222 HydrophobicContact CB-CD2 3.95Å; N99-F222 HydrophobicContact CB-CG 4.27Å
100G98.3Very high98.1Very high0 Ų027.7 Ų27.70%016%0.156CC..Hα-helixtrans-57.5-51178.200000112.8L96 V97 L98 F102 T103 N104L96-G100 PolarHBondContact O-N 3.08Å; V97-G100 PolarHBondContact O-N 3.34Å; L98-G100 VanDerWaalsContact C-N 3.27Å; L98-G100 PolarHBondContact O-N 2.82Å; G100-F102 PolarHBondContact O-N 3.13Å; G100-T103 PolarHBondContact O-N 3.46Å; G100-N104 WeakPolarHBondContact O-CB 3.34Å; G100-N104 PolarHBondContact O-N 3.37Å
101V98.6Very high98.2Very high22 Ų2226.9 Ų26.913%0.13315%0.152CC..Hα-helixtrans-58.2-47.8179170.30000111.4L19 V22 F23 V97 L98 N104 A105L19-V101 HydrophobicContact CB-CG2 4.36Å; L19-V101 HydrophobicContact CD2-CG2 4.15Å; L19-V101 VanDerWaalsContact O-CG2 3.29Å; L19-V101 WeakPolarHBondContact O-CG2 3.49Å; V22-V101 HydrophobicContact CB-CG2 4.14Å; V22-V101 HydrophobicContact CG1-CG1 3.96Å; V22-V101 HydrophobicContact CG1-CG2 3.96Å; F23-V101 HydrophobicContact CB-CG2 4.08Å; V97-V101 WeakPolarHBondContact O-CG2 3.45Å; V97-V101 PolarHBondContact O-N 3.18Å; L98-V101 PolarHBondContact O-N 3.36Å; V101-N104 PolarHBondContact O-N 2.87Å; V101-A105 WeakPolarHBondContact O-CB 3.5Å; V101-A105 PolarHBondContact O-N 3.22Å
102F98.6Very high98.2Very high103 Ų10328.6 Ų28.645%0.45216%0.159SC..Hα-helixtrans-68-41.9-179.4-86.6-102000112.5L98 N99 G100 N104 A105 I106 L218 F222L98-F102 WeakPolarHBondContact O-CD2 3.29Å; L98-F102 PolarHBondContact O-N 3.49Å; L98-F102 VanDerWaalsContact O-N 3.08Å; N99-F102 PolarHBondContact O-N 3.29Å; G100-F102 PolarHBondContact O-N 3.13Å; F102-N104 VanDerWaalsContact C-N 3.31Å; F102-N104 PolarHBondContact O-N 3.44Å; F102-A105 PolarHBondContact O-N 2.89Å; F102-I106 WeakPolarHBondContact O-CD1 3.15Å; F102-I106 VanDerWaalsContact O-CG1 3.23Å; F102-I106 WeakPolarHBondContact O-CG1 3.16Å; F102-I106 PolarHBondContact O-N 2.78Å; F102-L218 HydrophobicContact CB-CD2 4.46Å; F102-F222 HydrophobicContact CB-CE2 3.74Å; F102-F222 HydrophobicContact CB-CZ 3.88Å; F102-F222 HydrophobicContact CD1-CE2 4.43Å; F102-F222 AromaticContact CD1-CZ 3.92Å; F102-F222 HydrophobicContact CD1-CZ 3.92Å; F102-F222 HydrophobicContact CD2-CE1 4.17Å; F102-F222 HydrophobicContact CD2-CE2 4.19Å; F102-F222 AromaticContact CD2-CZ 3.47Å; F102-F222 HydrophobicContact CD2-CZ 3.47Å; F102-F222 VanDerWaalsContact CD2-CZ 3.47Å; F102-F222 HydrophobicContact CE1-CZ 4.31Å; F102-F222 HydrophobicContact CE2-CE1 4.3Å; F102-F222 AromaticContact CE2-CZ 3.9Å; F102-F222 HydrophobicContact CE2-CZ 3.9Å; F102-F222 AromaticContact CG-CE2 3.87Å; F102-F222 HydrophobicContact CG-CE2 3.87Å; F102-F222 AromaticContact CG-CZ 3.47Å; F102-F222 HydrophobicContact CG-CZ 3.47Å; F102-F222 VanDerWaalsContact CG-CZ 3.47Å; F102-F222 HydrophobicContact CZ-CZ 4.29Å
103T98.5Very high98.2Very high0 Ų028.6 Ų28.60%016%0.159CC..Hα-helixtrans-57.4-46.8176.3-61.60000110.6N99 G100 I106 K107 P148 S153 L218N99-T103 WeakPolarHBondContact O-CB 3.46Å; N99-T103 PolarHBondContact O-N 3.45Å; N99-T103 PolarHBondContact O-OG1 3.19Å; G100-T103 PolarHBondContact O-N 3.46Å; T103-I106 PolarHBondContact O-N 2.95Å; T103-K107 HydrophobicContact CG2-CD 4.19Å; T103-K107 WeakPolarHBondContact O-CG 3.41Å; T103-K107 PolarHBondContact O-N 2.98Å; T103-P148 HydrophobicContact CG2-CG 4.19Å; T103-S153 PolarHBondContact OG1-OG 2.78Å; T103-L218 WeakPolarHBondContact OG1-CD2 3.37Å
104N98.3Very high98.1Very high5 Ų527.3 Ų27.33%0.02715%0.149CC..Hα-helixtrans-69.8-43.1-179.4-75.36.2000112.3F23 T26 E27 G100 V101 F102 I106 K107 L108F23-N104 WeakPolarHBondContact CD2-ND2 3.38Å; F23-N104 WeakPolarHBondContact CE2-ND2 3.16Å; F23-N104 PolarHBondContact O-ND2 3.17Å; T26-N104 WeakPolarHBondContact OG1-CB 3.47Å; T26-N104 PolarHBondContact OG1-ND2 3.28Å; E27-N104 PolarHBondContact N-ND2 3.08Å; E27-N104 VanDerWaalsContact OE2-CG 3.23Å; E27-N104 PolarHBondContact OE2-ND2 2.84Å; E27-N104 PolarHBondContact OE2-OD1 2.91Å; E27-N104 VanDerWaalsContact OE2-OD1 3.12Å; G100-N104 WeakPolarHBondContact O-CB 3.34Å; G100-N104 PolarHBondContact O-N 3.37Å; V101-N104 PolarHBondContact O-N 2.87Å; F102-N104 VanDerWaalsContact C-N 3.31Å; F102-N104 PolarHBondContact O-N 3.44Å; N104-I106 VanDerWaalsContact C-N 3.28Å; N104-I106 PolarHBondContact O-N 3.31Å; N104-K107 WeakPolarHBondContact O-CB 3.37Å; N104-K107 PolarHBondContact O-N 2.86Å; N104-K107 VanDerWaalsContact O-N 3.16Å; N104-L108 VanDerWaalsContact O-CG 3.3Å; N104-L108 WeakPolarHBondContact O-CG 3.39Å; N104-L108 PolarHBondContact O-N 3.08Å
105A98.4Very high98.1Very high45 Ų4526.3 Ų26.337%0.37214%0.144SC..Hα-helixtrans-55.5-45.5175.100000111.4V101 F102 L108 V109V101-A105 WeakPolarHBondContact O-CB 3.5Å; V101-A105 PolarHBondContact O-N 3.22Å; F102-A105 PolarHBondContact O-N 2.89Å; A105-L108 PolarHBondContact O-N 3.44Å; A105-V109 WeakPolarHBondContact O-CG2 3.36Å; A105-V109 PolarHBondContact O-N 3.18Å; A105-V109 VanDerWaalsContact O-N 3.11Å
106I98.5Very high98.1Very high52 Ų5226.3 Ų26.327%0.26714%0.144SC..Hα-helixtrans-66.6-43.1178-59.8163000110.8F102 T103 N104 L108 V109 V110 F147 P148 L218F102-I106 WeakPolarHBondContact O-CD1 3.15Å; F102-I106 VanDerWaalsContact O-CG1 3.23Å; F102-I106 WeakPolarHBondContact O-CG1 3.16Å; F102-I106 PolarHBondContact O-N 2.78Å; T103-I106 PolarHBondContact O-N 2.95Å; N104-I106 VanDerWaalsContact C-N 3.28Å; N104-I106 PolarHBondContact O-N 3.31Å; I106-L108 VanDerWaalsContact C-N 3.3Å; I106-L108 PolarHBondContact O-N 3.31Å; I106-V109 PolarHBondContact O-N 2.93Å; I106-V110 HydrophobicContact CG2-CG2 3.82Å; I106-V110 WeakPolarHBondContact O-CB 3.4Å; I106-V110 WeakPolarHBondContact O-CG2 3.36Å; I106-V110 PolarHBondContact O-N 2.92Å; I106-F147 HydrophobicContact CG2-CD1 3.91Å; I106-F147 HydrophobicContact CG2-CE1 3.84Å; I106-P148 HydrophobicContact CB-CG 4.4Å; I106-P148 VanDerWaalsContact CG2-CD 3.48Å; I106-P148 HydrophobicContact CG2-CG 4.36Å; I106-L218 HydrophobicContact CD1-CD2 4.19Å
107K98.4Very high98Very high9 Ų926 Ų264%0.03914%0.142CC..Hα-helixtrans-54.5-46.2175.3-79.9166.1166.5-910112.4T103 N104 G111 K145 F147 P148T103-K107 HydrophobicContact CG2-CD 4.19Å; T103-K107 WeakPolarHBondContact O-CG 3.41Å; T103-K107 PolarHBondContact O-N 2.98Å; N104-K107 WeakPolarHBondContact O-CB 3.37Å; N104-K107 PolarHBondContact O-N 2.86Å; N104-K107 VanDerWaalsContact O-N 3.16Å; K107-G111 PolarHBondContact O-N 3.29Å; K107-K145 HydrophobicContact CB-CB 4.42Å; K107-K145 HydrophobicContact CD-CB 4.49Å; K107-K145 HydrophobicContact CG-CB 4.49Å; K107-K145 PolarHBondContact NZ-O 3.4Å; K107-F147 VanDerWaalsContact CA-O 3.23Å; K107-F147 WeakPolarHBondContact CA-O 3.44Å; K107-F147 WeakPolarHBondContact CG-O 3.49Å; K107-P148 WeakPolarHBondContact CE-O 3.38Å
108L98.3Very high97.9Very high28 Ų2825.1 Ų25.115%0.14714%0.136CC..Hα-helixtrans-66.3-40.8-178.8-66.7175.2000111.9T26 L29 P31 F32 N104 A105 I106T26-L108 HydrophobicContact CG2-CD1 4.27Å; L29-L108 HydrophobicContact CB-CD1 3.88Å; L29-L108 HydrophobicContact CB-CD2 3.82Å; L29-L108 HydrophobicContact CD1-CD1 3.98Å; L29-L108 VanDerWaalsContact O-CD2 3.22Å; L29-L108 WeakPolarHBondContact O-CD2 3.44Å; P31-L108 HydrophobicContact CB-CD2 4.31Å; F32-L108 PolarHBondContact N-O 3.39Å; N104-L108 VanDerWaalsContact O-CG 3.3Å; N104-L108 WeakPolarHBondContact O-CG 3.39Å; N104-L108 PolarHBondContact O-N 3.08Å; A105-L108 PolarHBondContact O-N 3.44Å; I106-L108 VanDerWaalsContact C-N 3.3Å; I106-L108 PolarHBondContact O-N 3.31Å
109V98Very high97.7Very high110 Ų11027 Ų2767%0.66714%0.141SC*.Hα-helixtrans-72.5-40.8179.8173.30000111.8F32 A105 I106F32-V109 WeakPolarHBondContact CB-O 3.49Å; A105-V109 WeakPolarHBondContact O-CG2 3.36Å; A105-V109 PolarHBondContact O-N 3.18Å; A105-V109 VanDerWaalsContact O-N 3.11Å; I106-V109 PolarHBondContact O-N 2.93Å
110V97.8Very high97.6Very high47 Ų4727.8 Ų27.829%0.28515%0.145SC..Hα-helixtrans-82.1-39.6-172.7176.20000112.4I106 R112 F147I106-V110 HydrophobicContact CG2-CG2 3.82Å; I106-V110 WeakPolarHBondContact O-CB 3.4Å; I106-V110 WeakPolarHBondContact O-CG2 3.36Å; I106-V110 PolarHBondContact O-N 2.92Å; V110-R112 HydrophobicContact CG1-CB 4.01Å; V110-R112 PolarHBondContact O-N 3.41Å; V110-R112 VanDerWaalsContact O-N 3.13Å; V110-F147 HydrophobicContact CB-CD1 4.16Å; V110-F147 HydrophobicContact CG1-CB 4.02Å; V110-F147 HydrophobicContact CG1-CD1 3.89Å; V110-F147 HydrophobicContact CG1-CG 4.27Å; V110-F147 HydrophobicContact CG2-CD1 3.91Å; V110-F147 HydrophobicContact CG2-CE1 4.33Å
111G97.1Very high97.4Very high0 Ų028.1 Ų28.10%015%0.147CC..  trans59.927.5174.500000115.3F32 K107 R144F32-G111 VanDerWaalsContact O-CA 3.27Å; F32-G111 WeakPolarHBondContact O-CA 3.17Å; K107-G111 PolarHBondContact O-N 3.29Å; G111-R144 CarbonylContact C-O 3Å; G111-R144 VanDerWaalsContact CA-O 3.28Å; G111-R144 WeakPolarHBondContact CA-O 3.05Å
112R97.2Very high97.2Very high36 Ų3627.3 Ų27.314%0.13614%0.141CC..PPolyproline II helixtrans-67.2128.1-176.2-171.8-176.6-175.7179.93110.6V110 R144 S146 F147 H208 D211V110-R112 HydrophobicContact CG1-CB 4.01Å; V110-R112 PolarHBondContact O-N 3.41Å; V110-R112 VanDerWaalsContact O-N 3.13Å; R112-R144 CarbonylContact C-O 3.21Å; R112-R144 PolarHBondContact N-O 2.94Å; R112-R144 CarbonylContact O-C 3.6Å; R112-S146 WeakPolarHBondContact O-CB 2.97Å; R112-S146 PolarHBondContact O-N 3.23Å; R112-F147 HydrophobicContact CB-CB 3.83Å; R112-F147 HydrophobicContact CG-CB 4.5Å; R112-H208 VanDerWaalsContact CZ-CG 3.46Å; R112-H208 VanDerWaalsContact CZ-ND1 3.3Å; R112-H208 PolarHBondContact NE-ND1 3.45Å; R112-H208 PolarHBondContact NH2-CD2 2.93Å; R112-H208 VanDerWaalsContact NH2-CD2 3.26Å; R112-H208 PolarHBondContact NH2-ND1 3.42Å; R112-D211 WeakPolarHBondContact CD-OD1 3.45Å; R112-D211 IonicContact CZ-OD1 2.76Å; R112-D211 IonicContact NE-OD1 3.28Å; R112-D211 IonicContact NH1-OD1 3.56Å; R112-D211 PolarHBondContact NH1-OD1 3.36Å; R112-D211 IonicContact NH1-OD2 3.93Å
113P97.4Very high97Very high0 Ų026.1 Ų26.10%014%0.144CC..PPolyproline II helixtrans-64.5146.5172.5-15.428.4000112.1I36 Y44 F117 G143 S146 H208I36-P113 HydrophobicContact CD1-CB 4.05Å; I36-P113 HydrophobicContact CD1-CG 3.56Å; I36-P113 HydrophobicContact CG1-CG 3.9Å; Y44-P113 HydrophobicContact CD1-CB 3.79Å; Y44-P113 HydrophobicContact CE1-CB 3.68Å; Y44-P113 HydrophobicContact CE1-CG 4.12Å; Y44-P113 WeakPolarHBondContact CE1-O 3.36Å; Y44-P113 HydrophobicContact CE2-CB 4.46Å; Y44-P113 HydrophobicContact CE2-CG 4.32Å; Y44-P113 HydrophobicContact CG-CB 4.21Å; P113-F117 HydrophobicContact CB-CB 3.89Å; P113-F117 HydrophobicContact CB-CD1 4.03Å; P113-F117 HydrophobicContact CB-CD2 4.37Å; P113-F117 HydrophobicContact CB-CG 3.82Å; P113-G143 CarbonylContact C-O 3.52Å; P113-G143 WeakPolarHBondContact CA-O 3.35Å; P113-S146 WeakPolarHBondContact O-CB 3.43Å; P113-H208 PolarHBondContact O-CE1 3.22Å
114R97.8Very high96.7Very high15 Ų1531.2 Ų31.26%0.05717%0.171CC..PPolyproline II helixtrans-76156.2174.5-66.3-178.8178.7-101.76.7111.1Y44 D116 F117 E142 G143 K206 H207Y44-R114 VanDerWaalsContact CD1-O 3.29Å; Y44-R114 WeakPolarHBondContact CD1-O 3.27Å; R114-D116 WeakPolarHBondContact CB-OD1 3.1Å; R114-D116 PolarHBondContact O-N 2.99Å; R114-D116 VanDerWaalsContact O-N 3.11Å; R114-F117 WeakPolarHBondContact O-CB 3.27Å; R114-F117 PolarHBondContact O-N 2.97Å; R114-E142 IonicContact CZ-OE1 3.89Å; R114-E142 PolarHBondContact NE-O 3.34Å; R114-E142 IonicContact NE-OE1 2.99Å; R114-E142 IonicContact NH2-OE1 3.52Å; R114-E142 PolarHBondContact NH2-OE1 3.42Å; R114-G143 WeakPolarHBondContact CG-O 3.39Å; R114-G143 PolarHBondContact N-O 2.74Å; R114-K206 WeakPolarHBondContact CD-O 3.21Å; R114-K206 VanDerWaalsContact CG-O 3.25Å; R114-K206 WeakPolarHBondContact CG-O 3.05Å; R114-K206 PolarHBondContact NH1-O 3.42Å; R114-H207 PolarHBondContact NH1-CE1 2.9Å; R114-H207 VanDerWaalsContact NH1-CE1 3.34Å; R114-H207 PolarHBondContact NH1-NE2 2.89Å
115P97.9Very high96.3Very high6 Ų631.9 Ų31.94%0.03918%0.179CC..THydrogen-bonded Turntrans-57.8-24.3175.2-19.829000114.2Y44 R45 F46 Y205Y44-P115 CarbonylContact C-O 2.89Å; Y44-P115 VanDerWaalsContact CA-O 3.24Å; Y44-P115 WeakPolarHBondContact CA-O 3.35Å; R45-P115 PolarHBondContact N-O 3.28Å; F46-P115 WeakPolarHBondContact CB-O 3.14Å; F46-P115 HydrophobicContact CD2-CB 3.75Å; F46-P115 HydrophobicContact CE2-CB 4.43Å; F46-P115 HydrophobicContact CG-CB 4.43Å; F46-P115 PolarHBondContact N-O 2.87Å; P115-Y205 WeakPolarHBondContact CB-O 3.41Å; P115-Y205 WeakPolarHBondContact CD-O 3.07Å
116D96.8Very high95.9Very high0 Ų036.7 Ų36.70%019%0.194CC..THydrogen-bonded Turntrans-94.311.917571.3-14.7000114.1R114 F118 Y119 R120 Y205 K206R114-D116 WeakPolarHBondContact CB-OD1 3.1Å; R114-D116 PolarHBondContact O-N 2.99Å; R114-D116 VanDerWaalsContact O-N 3.11Å; D116-F118 PolarHBondContact O-N 3Å; D116-Y119 PolarHBondContact O-N 3.25Å; D116-R120 VanDerWaalsContact CG-NE 3.26Å; D116-R120 PolarHBondContact O-N 2.87Å; D116-R120 IonicContact OD1-CZ 3.17Å; D116-R120 IonicContact OD1-NE 3.96Å; D116-R120 PolarHBondContact OD1-NE 3.45Å; D116-R120 IonicContact OD1-NH2 3.71Å; D116-R120 PolarHBondContact OD1-NH2 3.06Å; D116-R120 IonicContact OD2-CZ 3.51Å; D116-R120 IonicContact OD2-NE 2.75Å; D116-R120 PolarHBondContact OD2-NE 3.04Å; D116-R120 VanDerWaalsContact OD2-NE 3.17Å; D116-R120 IonicContact OD2-NH2 3.61Å; D116-R120 PolarHBondContact OD2-NH2 2.88Å; D116-Y205 PolarHBondContact N-O 3.49Å; D116-K206 WeakPolarHBondContact OD2-CD 3.4Å; D116-K206 IonicContact OD2-NZ 3.92Å; D116-K206 PolarHBondContact OD2-NZ 2.95Å
117F96.8Very high95.3Very high7 Ų737.9 Ų37.93%0.03120%0.199CC..Hα-helixtrans-62.5-36.9-171176.4-101.8000113.9I36 Y44 P113 R114 Y119 R120 C121 V140 G143 R144I36-F117 HydrophobicContact CD1-CD1 3.66Å; I36-F117 HydrophobicContact CD1-CE1 3.55Å; Y44-F117 PolarHBondContact O-N 3.45Å; P113-F117 HydrophobicContact CB-CB 3.89Å; P113-F117 HydrophobicContact CB-CD1 4.03Å; P113-F117 HydrophobicContact CB-CD2 4.37Å; P113-F117 HydrophobicContact CB-CG 3.82Å; R114-F117 WeakPolarHBondContact O-CB 3.27Å; R114-F117 PolarHBondContact O-N 2.97Å; F117-Y119 VanDerWaalsContact C-N 3.35Å; F117-Y119 PolarHBondContact O-N 3.28Å; F117-R120 WeakPolarHBondContact O-CB 3.33Å; F117-R120 PolarHBondContact O-N 3.32Å; F117-C121 HydrophobicContact CE1-CB 4.13Å; F117-C121 HydrophobicContact CZ-CB 4.1Å; F117-C121 PolarHBondContact O-N 2.93Å; F117-V140 HydrophobicContact CE2-CG1 4.07Å; F117-V140 HydrophobicContact CZ-CG1 4.37Å; F117-G143 WeakPolarHBondContact CD2-O 3.42Å; F117-R144 HydrophobicContact CD2-CG 4.3Å; F117-R144 HydrophobicContact CE2-CG 3.62Å; F117-R144 HydrophobicContact CZ-CG 4.2Å
118F95.7Very high94.6Very high4 Ų440.2 Ų40.22%0.01821%0.212CC..Hα-helixtrans-56-48.9-179179.2-92.1000111.6M41 Y44 R45 D116 R120 C121 F122 M127M41-F118 HydrophobicContact CG-CD2 4.08Å; M41-F118 HydrophobicContact SD-CD2 3.95Å; Y44-F118 WeakPolarHBondContact O-CB 3.45Å; Y44-F118 PolarHBondContact O-N 3.2Å; R45-F118 HydrophobicContact CB-CB 4.38Å; R45-F118 HydrophobicContact CG-CB 4.12Å; R45-F118 HydrophobicContact CG-CD1 3.76Å; R45-F118 HydrophobicContact CG-CD2 4.39Å; R45-F118 HydrophobicContact CG-CE1 4.28Å; R45-F118 HydrophobicContact CG-CG 3.83Å; D116-F118 PolarHBondContact O-N 3Å; F118-R120 VanDerWaalsContact C-N 3.26Å; F118-R120 PolarHBondContact O-N 3.41Å; F118-C121 PolarHBondContact O-N 3.25Å; F118-C121 VanDerWaalsContact O-N 3.16Å; F118-F122 HydrophobicContact CD2-CD2 4.2Å; F118-F122 HydrophobicContact CE2-CD2 4.02Å; F118-F122 HydrophobicContact CZ-CD2 4.4Å; F118-F122 PolarHBondContact O-N 2.95Å; F118-M127 HydrophobicContact CD2-CE 4.24Å; F118-M127 HydrophobicContact CE2-CB 4.38Å; F118-M127 HydrophobicContact CE2-CE 3.83Å
119Y95.7Very high93.6Very high77 Ų7747.7 Ų47.730%0.30225%0.251SS..Hα-helixtrans-77.1-10-179.8-69.6-74.9000113.9R45 F46 D116 F117R45-Y119 HydrophobicContact CG-CE2 4.26Å; R45-Y119 WeakPolarHBondContact O-CE2 3.34Å; F46-Y119 VanDerWaalsContact O-CD2 3.25Å; F46-Y119 WeakPolarHBondContact O-CD2 3.48Å; D116-Y119 PolarHBondContact O-N 3.25Å; F117-Y119 VanDerWaalsContact C-N 3.35Å; F117-Y119 PolarHBondContact O-N 3.28Å
120R95.4Very high92.6Very high18 Ų1849.3 Ų49.37%0.06825%0.252CS..Hα-helixtrans-78.1-41.6165.4-64.7174.2-179.5-105.4-4.6110.8D116 F117 F118 V139 V140 G143D116-R120 VanDerWaalsContact CG-NE 3.26Å; D116-R120 PolarHBondContact O-N 2.87Å; D116-R120 IonicContact OD1-CZ 3.17Å; D116-R120 IonicContact OD1-NE 3.96Å; D116-R120 PolarHBondContact OD1-NE 3.45Å; D116-R120 IonicContact OD1-NH2 3.71Å; D116-R120 PolarHBondContact OD1-NH2 3.06Å; D116-R120 IonicContact OD2-CZ 3.51Å; D116-R120 IonicContact OD2-NE 2.75Å; D116-R120 PolarHBondContact OD2-NE 3.04Å; D116-R120 VanDerWaalsContact OD2-NE 3.17Å; D116-R120 IonicContact OD2-NH2 3.61Å; D116-R120 PolarHBondContact OD2-NH2 2.88Å; F117-R120 WeakPolarHBondContact O-CB 3.33Å; F117-R120 PolarHBondContact O-N 3.32Å; F118-R120 VanDerWaalsContact C-N 3.26Å; F118-R120 PolarHBondContact O-N 3.41Å; R120-V139 HydrophobicContact CB-CG1 4.02Å; R120-V139 HydrophobicContact CG-CG1 3.88Å; R120-V139 PolarHBondContact NH1-O 3.44Å; R120-V140 VanDerWaalsContact O-CG2 3.3Å; R120-V140 WeakPolarHBondContact O-CG2 3.45Å; R120-G143 VanDerWaalsContact CD-CA 3.47Å
121C94.5Very high91.6Very high6 Ų651.5 Ų51.54%0.04126%0.26CS..Hα-helixtrans-74.7-41.6-178.9-1740000112.3F117 F118 C133 S134 G135F117-C121 HydrophobicContact CE1-CB 4.13Å; F117-C121 HydrophobicContact CZ-CB 4.1Å; F117-C121 PolarHBondContact O-N 2.93Å; F118-C121 PolarHBondContact O-N 3.25Å; F118-C121 VanDerWaalsContact O-N 3.16Å; C121-C133 HydrophobicContact CB-CB 3.93Å; C121-C133 WeakPolarHBondContact CB-SG 3.46Å; C121-C133 CarbonylContact O-C 3.52Å; C121-C133 WeakPolarHBondContact O-CA 3.42Å; C121-C133 WeakPolarHBondContact SG-CA 3.46Å; C121-C133 WeakPolarHBondContact SG-CB 3.31Å; C121-C133 CovalentContact SG-SG 2.04Å; C121-C133 PolarHBondContact SG-SG 3.08Å; C121-S134 PolarHBondContact O-N 2.95Å; C121-S134 PolarHBondContact O-OG 3.48Å; C121-G135 PolarHBondContact O-N 3.23Å
122F94.8Very high91Very high6 Ų657.6 Ų57.63%0.02629%0.288CS..  trans-126.286.2179.7-56.2-73.1000110F118 D124 G125 Q126 M127 H132F118-F122 HydrophobicContact CD2-CD2 4.2Å; F118-F122 HydrophobicContact CE2-CD2 4.02Å; F118-F122 HydrophobicContact CZ-CD2 4.4Å; F118-F122 PolarHBondContact O-N 2.95Å; F122-D124 PolarHBondContact O-N 2.84Å; F122-G125 PolarHBondContact O-N 3.38Å; F122-Q126 VanDerWaalsContact CD1-O 3.25Å; F122-Q126 WeakPolarHBondContact CD1-O 3.42Å; F122-M127 HydrophobicContact CD2-CB 4.46Å; F122-M127 HydrophobicContact CD2-CE 4.37Å; F122-M127 HydrophobicContact CE2-CB 4.28Å; F122-M127 HydrophobicContact CE2-CE 3.67Å; F122-M127 HydrophobicContact CE2-CG 4.02Å; F122-M127 HydrophobicContact CZ-CB 4.41Å; F122-M127 HydrophobicContact CZ-CE 4.39Å; F122-M127 HydrophobicContact CZ-CG 3.99Å; F122-H132 VanDerWaalsContact CE1-O 3.29Å; F122-H132 WeakPolarHBondContact CE1-O 3.22Å
123P93.8Very high90.7Very high77 Ų7758 Ų5850%0.530%0.296SS..THydrogen-bonded Turntrans-62.6-27.9-176.4-24.835.3000114.5
124D91.6Very high90.5Very high107 Ų10761.6 Ų61.657%0.57232%0.321SS*.THydrogen-bonded Turntrans-78.9-6.2174.260.8-6.1000113.3F122 Q126F122-D124 PolarHBondContact O-N 2.84Å; D124-Q126 PolarHBondContact O-N 3.44Å; D124-Q126 PolarHBondContact OD1-N 3.47Å
125G90.8Very high90.3Very high19 Ų1961.8 Ų61.820%0.19633%0.327CS..SBendtrans73.47.2-176.900000114.4F122F122-G125 PolarHBondContact O-N 3.38Å
126Q89.5Confident90.2Very high146 Ų14666 Ų6668%0.68235%0.35SS*.  trans-105.4116.9-178.6-60.1-165.74.300110.5F122 D124F122-Q126 VanDerWaalsContact CD1-O 3.25Å; F122-Q126 WeakPolarHBondContact CD1-O 3.42Å; D124-Q126 PolarHBondContact O-N 3.44Å; D124-Q126 PolarHBondContact OD1-N 3.47Å
127M85.7Confident90.1Very high77 Ų7769.7 Ų69.738%0.37938%0.376SS..  trans-81.6131.9176.7179.6173-9200109.8M41 F118 F122 M131M41-M127 HydrophobicContact CE-CE 3.67Å; M41-M127 HydrophobicContact CG-CE 4.21Å; M41-M127 HydrophobicContact SD-CE 3.93Å; F118-M127 HydrophobicContact CD2-CE 4.24Å; F118-M127 HydrophobicContact CE2-CB 4.38Å; F118-M127 HydrophobicContact CE2-CE 3.83Å; F122-M127 HydrophobicContact CD2-CB 4.46Å; F122-M127 HydrophobicContact CD2-CE 4.37Å; F122-M127 HydrophobicContact CE2-CB 4.28Å; F122-M127 HydrophobicContact CE2-CE 3.67Å; F122-M127 HydrophobicContact CE2-CG 4.02Å; F122-M127 HydrophobicContact CZ-CB 4.41Å; F122-M127 HydrophobicContact CZ-CE 4.39Å; F122-M127 HydrophobicContact CZ-CG 3.99Å; M127-M131 HydrophobicContact CE-CE 3.61Å; M127-M131 HydrophobicContact CE-SD 3.87Å; M127-M131 HydrophobicContact CG-SD 3.62Å; M127-M131 HydrophobicContact SD-CE 3.74Å; M127-M131 HydrophobicContact SD-SD 3.36Å
128N83.6Confident89.9Confident59 Ų5976.3 Ų76.332%0.31641%0.407SS..  trans-84.9160.3174.957.817.7000111.7E130 M131 H132N128-E130 PolarHBondContact O-N 3.48Å; N128-M131 PolarHBondContact O-N 3.45Å; N128-M131 VanDerWaalsContact OD1-CA 3.25Å; N128-M131 WeakPolarHBondContact OD1-CA 3.21Å; N128-M131 PolarHBondContact OD1-N 3.43Å; N128-H132 PolarHBondContact ND2-O 3.31Å; N128-H132 PolarHBondContact OD1-N 2.92Å; N128-H132 PolarHBondContact OD1-O 3.37Å
129L78.1Confident89.9Confident184 Ų18477.7 Ų77.796%0.96342%0.416SS*.THydrogen-bonded Turntrans-63.5-27.8177.9-74.1157.9000112.7M131L129-M131 VanDerWaalsContact C-N 3.32Å
130E77.3Confident89.9Confident144 Ų14474.7 Ų74.767%0.67341%0.405SS*.THydrogen-bonded Turntrans-81-10.7-178.8-65.1168.5-173.100112.8N128 H132N128-E130 PolarHBondContact O-N 3.48Å; E130-H132 PolarHBondContact O-CD2 3.42Å; E130-H132 PolarHBondContact O-N 3.39Å; E130-H132 VanDerWaalsContact O-N 3.17Å
131M75.9Confident89.9Confident94 Ų9476.9 Ų76.946%0.46342%0.417SS..  trans57.523-176.8-58.5-70.1-76.400114.3M41 M127 N128 L129M41-M131 HydrophobicContact CE-CE 4.16Å; M127-M131 HydrophobicContact CE-CE 3.61Å; M127-M131 HydrophobicContact CE-SD 3.87Å; M127-M131 HydrophobicContact CG-SD 3.62Å; M127-M131 HydrophobicContact SD-CE 3.74Å; M127-M131 HydrophobicContact SD-SD 3.36Å; N128-M131 PolarHBondContact O-N 3.45Å; N128-M131 VanDerWaalsContact OD1-CA 3.25Å; N128-M131 WeakPolarHBondContact OD1-CA 3.21Å; N128-M131 PolarHBondContact OD1-N 3.43Å; L129-M131 VanDerWaalsContact C-N 3.32Å
132H85.5Confident90Very high127 Ų12779.2 Ų79.259%0.58843%0.427SS*.  trans-89.8128.7178.2-76.6-159.2000110.4F122 N128 E130 S134F122-H132 VanDerWaalsContact CE1-O 3.29Å; F122-H132 WeakPolarHBondContact CE1-O 3.22Å; N128-H132 PolarHBondContact ND2-O 3.31Å; N128-H132 PolarHBondContact OD1-N 2.92Å; N128-H132 PolarHBondContact OD1-O 3.37Å; E130-H132 PolarHBondContact O-CD2 3.42Å; E130-H132 PolarHBondContact O-N 3.39Å; E130-H132 VanDerWaalsContact O-N 3.17Å; H132-S134 PolarHBondContact O-N 3.36Å
133C91Very high90.1Very high45 Ų4578.9 Ų78.930%0.30443%0.426SS..  trans-62.3134.3177.8-61.30000111.6C121 V140C121-C133 HydrophobicContact CB-CB 3.93Å; C121-C133 WeakPolarHBondContact CB-SG 3.46Å; C121-C133 CarbonylContact O-C 3.52Å; C121-C133 WeakPolarHBondContact O-CA 3.42Å; C121-C133 WeakPolarHBondContact SG-CA 3.46Å; C121-C133 WeakPolarHBondContact SG-CB 3.31Å; C121-C133 CovalentContact SG-SG 2.04Å; C121-C133 PolarHBondContact SG-SG 3.08Å; C133-V140 HydrophobicContact CB-CG1 4.16Å; C133-V140 HydrophobicContact CB-CG2 4.02Å
134S93.5Very high90.2Very high76 Ų7677.1 Ų77.153%0.53141%0.409SS..  trans-97-13.5174.757.40000113.2C121 H132C121-S134 PolarHBondContact O-N 2.95Å; C121-S134 PolarHBondContact O-OG 3.48Å; H132-S134 PolarHBondContact O-N 3.36Å
135G92.8Very high90.5Very high18 Ų1872.6 Ų72.619%0.18638%0.384CS..SBendtrans-73.9171.7178.300000114.7C121 S137C121-G135 PolarHBondContact O-N 3.23Å; G135-S137 PolarHBondContact O-N 3.45Å
136D95.5Very high90.8Very high95 Ų9571.7 Ų71.751%0.50838%0.375SS..  trans-57.3132.1177.2175.9-95.5000112.2E138 V139 V140D136-E138 VanDerWaalsContact C-N 3.35Å; D136-E138 PolarHBondContact O-N 2.95Å; D136-E138 WeakPolarHBondContact OD1-CB 3.38Å; D136-E138 PolarHBondContact OD1-N 2.7Å; D136-V139 HydrophobicContact CB-CB 4.18Å; D136-V139 HydrophobicContact CB-CG2 4.07Å; D136-V139 PolarHBondContact O-N 3.07Å; D136-V139 WeakPolarHBondContact OD1-CG2 3.37Å; D136-V139 PolarHBondContact OD1-N 3.34Å; D136-V140 WeakPolarHBondContact O-CB 3.42Å; D136-V140 VanDerWaalsContact O-CG2 3.27Å; D136-V140 WeakPolarHBondContact O-CG2 3.37Å; D136-V140 PolarHBondContact O-N 3.26Å
137S94.3Very high91.3Very high78 Ų7866.9 Ų66.955%0.54535%0.352SS..Hα-helixtrans-60.9-40.6-173-173.80000112.5G135 V140 M141G135-S137 PolarHBondContact O-N 3.45Å; S137-V140 PolarHBondContact O-N 2.82Å; S137-M141 WeakPolarHBondContact O-CB 3.44Å; S137-M141 VanDerWaalsContact O-CG 3.25Å; S137-M141 WeakPolarHBondContact O-CG 3.49Å; S137-M141 PolarHBondContact O-N 3.43Å
138E94.2Very high91.9Very high145 Ų14563.2 Ų63.268%0.67833%0.334SS*.Hα-helixtrans-67.4-43.2179.4-61.2-172.8170.500111D136 V140 M141 E142D136-E138 VanDerWaalsContact C-N 3.35Å; D136-E138 PolarHBondContact O-N 2.95Å; D136-E138 WeakPolarHBondContact OD1-CB 3.38Å; D136-E138 PolarHBondContact OD1-N 2.7Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-V140 PolarHBondContact O-N 2.67Å; E138-M141 HydrophobicContact CG-CE 4.38Å; E138-M141 PolarHBondContact O-N 3.19Å; E138-E142 WeakPolarHBondContact O-CB 3.21Å; E138-E142 PolarHBondContact O-N 3.09Å
139V95Very high92.6Very high34 Ų3460.4 Ų60.421%0.20632%0.319CS..Hα-helixtrans-63.3-39.9177.1176.30000111.7R120 D136 G143R120-V139 HydrophobicContact CB-CG1 4.02Å; R120-V139 HydrophobicContact CG-CG1 3.88Å; R120-V139 PolarHBondContact NH1-O 3.44Å; D136-V139 HydrophobicContact CB-CB 4.18Å; D136-V139 HydrophobicContact CB-CG2 4.07Å; D136-V139 PolarHBondContact O-N 3.07Å; D136-V139 WeakPolarHBondContact OD1-CG2 3.37Å; D136-V139 PolarHBondContact OD1-N 3.34Å; V139-G143 PolarHBondContact O-N 2.69Å
140V95.9Very high93.5Very high13 Ų1352.1 Ų52.18%0.07928%0.278CS..Hα-helixtrans-67.5-46.9176.5171.20000110.9F117 R120 C133 D136 S137 E138 E142 G143 R144F117-V140 HydrophobicContact CE2-CG1 4.07Å; F117-V140 HydrophobicContact CZ-CG1 4.37Å; R120-V140 VanDerWaalsContact O-CG2 3.3Å; R120-V140 WeakPolarHBondContact O-CG2 3.45Å; C133-V140 HydrophobicContact CB-CG1 4.16Å; C133-V140 HydrophobicContact CB-CG2 4.02Å; D136-V140 WeakPolarHBondContact O-CB 3.42Å; D136-V140 VanDerWaalsContact O-CG2 3.27Å; D136-V140 WeakPolarHBondContact O-CG2 3.37Å; D136-V140 PolarHBondContact O-N 3.26Å; S137-V140 PolarHBondContact O-N 2.82Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-V140 PolarHBondContact O-N 2.67Å; V140-E142 VanDerWaalsContact C-N 3.32Å; V140-E142 PolarHBondContact O-N 2.7Å; V140-G143 CarbonylContact O-C 3.59Å; V140-G143 VanDerWaalsContact O-CA 3.32Å; V140-G143 WeakPolarHBondContact O-CA 3.39Å; V140-G143 PolarHBondContact O-N 2.7Å; V140-R144 PolarHBondContact O-N 3.02Å
141M95.6Very high94.5Very high64 Ų6446.1 Ų46.132%0.31525%0.25SC..Hα-helixtrans-58.9-44.3176.4-76.7-168.3-62.500111.4P30 S137 E138 G143 R144P30-M141 HydrophobicContact CB-SD 4.45Å; S137-M141 WeakPolarHBondContact O-CB 3.44Å; S137-M141 VanDerWaalsContact O-CG 3.25Å; S137-M141 WeakPolarHBondContact O-CG 3.49Å; S137-M141 PolarHBondContact O-N 3.43Å; E138-M141 HydrophobicContact CG-CE 4.38Å; E138-M141 PolarHBondContact O-N 3.19Å; M141-G143 PolarHBondContact O-N 2.83Å; M141-R144 WeakPolarHBondContact O-CB 3.33Å; M141-R144 PolarHBondContact O-N 3.29Å
142E95.3Very high95.6Very high55 Ų5541.6 Ų41.626%0.25723%0.228SC..Hα-helixtrans-66.2-30.9175.8-17551.9-147.500112.3R114 E138 V140 R144 K145R114-E142 IonicContact CZ-OE1 3.89Å; R114-E142 PolarHBondContact NE-O 3.34Å; R114-E142 IonicContact NE-OE1 2.99Å; R114-E142 IonicContact NH2-OE1 3.52Å; R114-E142 PolarHBondContact NH2-OE1 3.42Å; E138-E142 WeakPolarHBondContact O-CB 3.21Å; E138-E142 PolarHBondContact O-N 3.09Å; V140-E142 VanDerWaalsContact C-N 3.32Å; V140-E142 PolarHBondContact O-N 2.7Å; E142-R144 PolarHBondContact O-N 2.98Å; E142-K145 PolarHBondContact O-N 3.47Å
143G96.4Very high96.2Very high0 Ų035.6 Ų35.60%020%0.2CC..Hα-helixtrans-59.9-20.817000000114.2P113 R114 F117 R120 V139 V140 M141P113-G143 CarbonylContact C-O 3.52Å; P113-G143 WeakPolarHBondContact CA-O 3.35Å; R114-G143 WeakPolarHBondContact CG-O 3.39Å; R114-G143 PolarHBondContact N-O 2.74Å; F117-G143 WeakPolarHBondContact CD2-O 3.42Å; R120-G143 VanDerWaalsContact CD-CA 3.47Å; V139-G143 PolarHBondContact O-N 2.69Å; V140-G143 CarbonylContact O-C 3.59Å; V140-G143 VanDerWaalsContact O-CA 3.32Å; V140-G143 WeakPolarHBondContact O-CA 3.39Å; V140-G143 PolarHBondContact O-N 2.7Å; M141-G143 PolarHBondContact O-N 2.83Å
144R97.2Very high96.6Very high39 Ų3934 Ų3415%0.14719%0.187CC..THydrogen-bonded Turntrans-96.20.7178.6-62-179.9-178.1-83.25113.9P31 G111 R112 F117 V140 M141 E142P31-R144 HydrophobicContact CG-CB 3.7Å; G111-R144 CarbonylContact C-O 3Å; G111-R144 VanDerWaalsContact CA-O 3.28Å; G111-R144 WeakPolarHBondContact CA-O 3.05Å; R112-R144 CarbonylContact C-O 3.21Å; R112-R144 PolarHBondContact N-O 2.94Å; R112-R144 CarbonylContact O-C 3.6Å; F117-R144 HydrophobicContact CD2-CG 4.3Å; F117-R144 HydrophobicContact CE2-CG 3.62Å; F117-R144 HydrophobicContact CZ-CG 4.2Å; V140-R144 PolarHBondContact O-N 3.02Å; M141-R144 WeakPolarHBondContact O-CB 3.33Å; M141-R144 PolarHBondContact O-N 3.29Å; E142-R144 PolarHBondContact O-N 2.98Å
145K97.4Very high96.8Very high12 Ų1230.3 Ų30.35%0.05216%0.162CC..  trans-106.547.7-177.2-64.6178.8-177.81730112E27 L29 P31 K107 E142E27-K145 PolarHBondContact O-NZ 3.44Å; L29-K145 WeakPolarHBondContact O-CE 2.66Å; L29-K145 PolarHBondContact O-NZ 3Å; P31-K145 HydrophobicContact CB-CG 4.09Å; P31-K145 HydrophobicContact CG-CG 3.87Å; K107-K145 HydrophobicContact CB-CB 4.42Å; K107-K145 HydrophobicContact CD-CB 4.49Å; K107-K145 HydrophobicContact CG-CB 4.49Å; K107-K145 PolarHBondContact NZ-O 3.4Å; E142-K145 PolarHBondContact O-N 3.47Å
146S97.9Very high97.1Very high0 Ų030.2 Ų30.20%016%0.157CC..  trans-77.4-44.4-175-159.80000113.7R112 P113 P148 H207 D211R112-S146 WeakPolarHBondContact O-CB 2.97Å; R112-S146 PolarHBondContact O-N 3.23Å; P113-S146 WeakPolarHBondContact O-CB 3.43Å; S146-P148 CarbonylContact O-C 3.55Å; S146-P148 VanDerWaalsContact O-C 3.25Å; S146-H207 PolarHBondContact O-CE1 2.68Å; S146-H207 PolarHBondContact O-ND1 3.2Å; S146-H207 PolarHBondContact OG-ND1 3.43Å; S146-D211 PolarHBondContact OG-OD2 3.42Å
147F98.3Very high97.3Very high45 Ų4525.7 Ų25.720%0.19713%0.132CC..SBendtrans-102.7132.3-173.4-178.6-88.4000112.7I106 K107 V110 R112 D211 V214I106-F147 HydrophobicContact CG2-CD1 3.91Å; I106-F147 HydrophobicContact CG2-CE1 3.84Å; K107-F147 VanDerWaalsContact CA-O 3.23Å; K107-F147 WeakPolarHBondContact CA-O 3.44Å; K107-F147 WeakPolarHBondContact CG-O 3.49Å; V110-F147 HydrophobicContact CB-CD1 4.16Å; V110-F147 HydrophobicContact CG1-CB 4.02Å; V110-F147 HydrophobicContact CG1-CD1 3.89Å; V110-F147 HydrophobicContact CG1-CG 4.27Å; V110-F147 HydrophobicContact CG2-CD1 3.91Å; V110-F147 HydrophobicContact CG2-CE1 4.33Å; R112-F147 HydrophobicContact CB-CB 3.83Å; R112-F147 HydrophobicContact CG-CB 4.5Å; F147-D211 WeakPolarHBondContact CB-OD1 3.25Å; F147-D211 HydrophobicContact CD2-CB 4.35Å; F147-D211 VanDerWaalsContact CD2-OD1 3.25Å; F147-D211 WeakPolarHBondContact CD2-OD1 3.38Å; F147-V214 HydrophobicContact CE1-CG1 4.45Å; F147-V214 HydrophobicContact CE2-CB 3.79Å; F147-V214 HydrophobicContact CE2-CG1 4.09Å; F147-V214 HydrophobicContact CE2-CG2 3.72Å; F147-V214 HydrophobicContact CZ-CB 3.92Å; F147-V214 HydrophobicContact CZ-CG1 3.68Å; F147-V214 HydrophobicContact CZ-CG2 3.87Å
148P98.6Very high97.5Very high0 Ų022 Ų220%011%0.106CC..SBendcis-77.8170.9-15.632.8-36.4000111.9T103 I106 K107 S146 G150 V214 L218T103-P148 HydrophobicContact CG2-CG 4.19Å; I106-P148 HydrophobicContact CB-CG 4.4Å; I106-P148 VanDerWaalsContact CG2-CD 3.48Å; I106-P148 HydrophobicContact CG2-CG 4.36Å; K107-P148 WeakPolarHBondContact CE-O 3.38Å; S146-P148 CarbonylContact O-C 3.55Å; S146-P148 VanDerWaalsContact O-C 3.25Å; P148-G150 PolarHBondContact O-N 3.1Å; P148-V214 HydrophobicContact CB-CB 4.47Å; P148-V214 HydrophobicContact CB-CG1 4.21Å; P148-L218 HydrophobicContact CG-CD2 4.49Å
149S98.6Very high97.7Very high0 Ų015.1 Ų15.10%07%0.074CC..  trans-69.3116176.6170.40000111.6S152 S153 D211S149-S152 VanDerWaalsContact CB-OG 3.31Å; S149-S152 WeakPolarHBondContact CB-OG 3.35Å; S149-S152 PolarHBondContact O-N 3.06Å; S149-S152 WeakPolarHBondContact OG-CB 3.23Å; S149-S152 PolarHBondContact OG-N 2.85Å; S149-S152 VanDerWaalsContact OG-N 3.16Å; S149-S152 PolarHBondContact OG-OG 2.99Å; S149-S153 WeakPolarHBondContact O-CB 3.47Å; S149-S153 PolarHBondContact O-N 3.06Å; S149-D211 WeakPolarHBondContact CB-O 3.44Å; S149-D211 PolarHBondContact N-O 2.82Å
150G98Very high97.9Very high10 Ų1013.6 Ų13.610%0.1037%0.065CC..Hα-helixtrans-62.3-45.4175.700000112.4P148 S152 S153 F154P148-G150 PolarHBondContact O-N 3.1Å; G150-S152 VanDerWaalsContact C-N 3.32Å; G150-S152 PolarHBondContact O-N 2.76Å; G150-S153 PolarHBondContact O-N 3.2Å; G150-S153 PolarHBondContact O-OG 3.16Å; G150-F154 WeakPolarHBondContact O-CD2 3.47Å; G150-F154 PolarHBondContact O-N 2.97Å
151H98.1Very high98Very high18 Ų1813 Ų138%0.0836%0.062CC..Hα-helixtrans-58.5-44.9177.3-77.361000111.9T56 M59 A155 R201T56-H151 PolarHBondContact OG1-CE1 2.98Å; T56-H151 PolarHBondContact OG1-NE2 3.24Å; M59-H151 HydrophobicContact CG-CB 4.19Å; H151-A155 WeakPolarHBondContact O-CB 3.47Å; H151-A155 PolarHBondContact O-N 3.28Å; H151-R201 HydrophobicContact CB-CG 3.84Å; H151-R201 PolarHBondContact NE2-NH1 3.39Å; H151-R201 VanDerWaalsContact NE2-NH1 3.11Å
152S98.6Very high98.2Very high0 Ų010.1 Ų10.10%05%0.048CC..Hα-helixtrans-64.7-46.1178.5-52.70000110.6S149 G150 F156 A198S149-S152 VanDerWaalsContact CB-OG 3.31Å; S149-S152 WeakPolarHBondContact CB-OG 3.35Å; S149-S152 PolarHBondContact O-N 3.06Å; S149-S152 WeakPolarHBondContact OG-CB 3.23Å; S149-S152 PolarHBondContact OG-N 2.85Å; S149-S152 VanDerWaalsContact OG-N 3.16Å; S149-S152 PolarHBondContact OG-OG 2.99Å; G150-S152 VanDerWaalsContact C-N 3.32Å; G150-S152 PolarHBondContact O-N 2.76Å; S152-F156 WeakPolarHBondContact O-CB 3.25Å; S152-F156 WeakPolarHBondContact O-CD2 3.46Å; S152-F156 PolarHBondContact O-N 2.92Å; S152-A198 WeakPolarHBondContact OG-CB 3.4Å
153S98.6Very high98.4Very high0 Ų07.6 Ų7.60%04%0.036CC..Hα-helixtrans-61.9-47.9-179.476.40000113.4N99 T103 S149 G150 F156 T157 G215 G219N99-S153 WeakPolarHBondContact ND2-CB 3.31Å; N99-S153 PolarHBondContact ND2-OG 2.9Å; N99-S153 VanDerWaalsContact ND2-OG 3.09Å; T103-S153 PolarHBondContact OG1-OG 2.78Å; S149-S153 WeakPolarHBondContact O-CB 3.47Å; S149-S153 PolarHBondContact O-N 3.06Å; G150-S153 PolarHBondContact O-N 3.2Å; G150-S153 PolarHBondContact O-OG 3.16Å; S153-F156 PolarHBondContact O-N 3.23Å; S153-T157 WeakPolarHBondContact O-CB 3.5Å; S153-T157 PolarHBondContact O-N 3.41Å; S153-T157 PolarHBondContact O-OG1 3.01Å; S153-G215 WeakPolarHBondContact CA-O 3.34Å; S153-G215 WeakPolarHBondContact CB-O 3.45Å; S153-G219 WeakPolarHBondContact O-CA 3.5Å
154F98.8Very high98.5Very high11 Ų118.7 Ų8.75%0.0484%0.042CC..Hα-helixtrans-69.7-41.8-179.1-84.7-76.2000111.8F23 M59 F60 A63 L96 G150 F156 T157 G158F23-F154 HydrophobicContact CD2-CZ 4.3Å; F23-F154 AromaticContact CE2-CE2 3.89Å; F23-F154 HydrophobicContact CE2-CE2 3.89Å; F23-F154 AromaticContact CE2-CZ 3.62Å; F23-F154 HydrophobicContact CE2-CZ 3.62Å; F23-F154 HydrophobicContact CZ-CE2 4.08Å; F23-F154 AromaticContact CZ-CZ 3.75Å; F23-F154 HydrophobicContact CZ-CZ 3.75Å; M59-F154 HydrophobicContact CE-CB 4.17Å; M59-F154 HydrophobicContact SD-CB 3.49Å; M59-F154 WeakPolarHBondContact SD-CB 3.28Å; M59-F154 HydrophobicContact SD-CG 4.49Å; F60-F154 HydrophobicContact CD1-CD1 4.34Å; F60-F154 HydrophobicContact CD1-CG 4.44Å; F60-F154 AromaticContact CE1-CD1 3.74Å; F60-F154 HydrophobicContact CE1-CD1 3.74Å; F60-F154 AromaticContact CE1-CD2 3.83Å; F60-F154 HydrophobicContact CE1-CD2 3.83Å; F60-F154 AromaticContact CE1-CE1 3.76Å; F60-F154 HydrophobicContact CE1-CE1 3.76Å; F60-F154 AromaticContact CE1-CE2 3.85Å; F60-F154 HydrophobicContact CE1-CE2 3.85Å; F60-F154 AromaticContact CE1-CG 3.77Å; F60-F154 HydrophobicContact CE1-CG 3.77Å; F60-F154 AromaticContact CE1-CZ 3.79Å; F60-F154 HydrophobicContact CE1-CZ 3.79Å; F60-F154 HydrophobicContact CZ-CD2 4.03Å; F60-F154 AromaticContact CZ-CE2 3.93Å; F60-F154 HydrophobicContact CZ-CE2 3.93Å; F60-F154 HydrophobicContact CZ-CG 4.41Å; F60-F154 HydrophobicContact CZ-CZ 4.21Å; A63-F154 WeakPolarHBondContact CB-O 3.26Å; L96-F154 HydrophobicContact CD2-CD1 4.11Å; L96-F154 WeakPolarHBondContact O-CE1 3.41Å; G150-F154 WeakPolarHBondContact O-CD2 3.47Å; G150-F154 PolarHBondContact O-N 2.97Å; F154-F156 PolarHBondContact O-N 2.99Å; F154-T157 PolarHBondContact O-N 3.38Å; F154-G158 PolarHBondContact O-N 2.98Å
155A98.8Very high98.5Very high0 Ų07 Ų70%04%0.036CC..Hα-helixtrans-58.2-49.7175.300000111.2H151 T157 L159 A194 I197H151-A155 WeakPolarHBondContact O-CB 3.47Å; H151-A155 PolarHBondContact O-N 3.28Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 PolarHBondContact O-N 3.04Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-L159 PolarHBondContact O-N 3.5Å; A155-A194 HydrophobicContact CB-CB 4.35Å; A155-I197 HydrophobicContact CB-CB 4.11Å; A155-I197 HydrophobicContact CB-CD1 4.25Å; A155-I197 HydrophobicContact CB-CG2 3.83Å
156F98.8Very high98.5Very high16 Ų166.9 Ų6.97%0.074%0.036CC..Hα-helixtrans-70-25.6178.2-86.5-89.3000113.6S152 S153 F154 G160 A194 F195 A198 S216 L220S152-F156 WeakPolarHBondContact O-CB 3.25Å; S152-F156 WeakPolarHBondContact O-CD2 3.46Å; S152-F156 PolarHBondContact O-N 2.92Å; S153-F156 PolarHBondContact O-N 3.23Å; F154-F156 PolarHBondContact O-N 2.99Å; F156-G160 WeakPolarHBondContact O-CA 3.22Å; F156-G160 PolarHBondContact O-N 3.04Å; F156-A194 HydrophobicContact CD1-CB 4.13Å; F156-A194 HydrophobicContact CD2-CB 3.87Å; F156-A194 HydrophobicContact CE1-CB 4.16Å; F156-A194 HydrophobicContact CE2-CB 3.89Å; F156-A194 HydrophobicContact CG-CB 4.02Å; F156-A194 HydrophobicContact CZ-CB 4.05Å; F156-F195 HydrophobicContact CZ-CB 4.14Å; F156-F195 HydrophobicContact CZ-CD2 4.17Å; F156-A198 HydrophobicContact CD2-CB 4.4Å; F156-A198 HydrophobicContact CE2-CB 3.82Å; F156-S216 WeakPolarHBondContact CD2-OG 3.2Å; F156-S216 WeakPolarHBondContact CE2-OG 3.28Å; F156-L220 HydrophobicContact CB-CG 4.36Å; F156-L220 HydrophobicContact CD1-CD1 3.95Å; F156-L220 HydrophobicContact CD1-CD2 3.84Å; F156-L220 HydrophobicContact CD1-CG 3.67Å; F156-L220 HydrophobicContact CE1-CD1 4.27Å; F156-L220 HydrophobicContact CE1-CG 4.46Å; F156-L220 HydrophobicContact CG-CG 4.42Å
157T98.9Very high98.4Very high0 Ų06.9 Ų6.90%04%0.036CC..Hα-helixtrans-68.3-56.5173.4-57.50000111.3A95 L96 N99 S153 F154 A155 F161 G219A95-T157 HydrophobicContact CB-CG2 3.73Å; A95-T157 WeakPolarHBondContact O-CG2 3.39Å; L96-T157 HydrophobicContact CD2-CG2 4Å; L96-T157 HydrophobicContact CG-CG2 4.34Å; N99-T157 HydrophobicContact CB-CG2 4.03Å; N99-T157 WeakPolarHBondContact CB-OG1 3.48Å; N99-T157 PolarHBondContact ND2-OG1 3.48Å; N99-T157 PolarHBondContact OD1-OG1 3.49Å; S153-T157 WeakPolarHBondContact O-CB 3.5Å; S153-T157 PolarHBondContact O-N 3.41Å; S153-T157 PolarHBondContact O-OG1 3.01Å; F154-T157 PolarHBondContact O-N 3.38Å; A155-T157 VanDerWaalsContact C-N 3.32Å; A155-T157 PolarHBondContact O-N 3.04Å; T157-F161 VanDerWaalsContact O-CB 3.27Å; T157-F161 WeakPolarHBondContact O-CB 3.45Å; T157-F161 PolarHBondContact O-N 3.44Å; T157-G219 WeakPolarHBondContact CA-O 3.39Å; T157-G219 WeakPolarHBondContact OG1-CA 3.49Å
158G98.7Very high98.3Very high0 Ų04.8 Ų4.80%03%0.027CC..Hα-helixtrans-68.6-50.8-177.100000112.6A63 P67 F154 F161 T162A63-G158 WeakPolarHBondContact O-CA 3.46Å; P67-G158 WeakPolarHBondContact CG-O 3.35Å; F154-G158 PolarHBondContact O-N 2.98Å; G158-F161 PolarHBondContact O-N 3.18Å; G158-T162 PolarHBondContact O-N 3.4Å; G158-T162 PolarHBondContact O-OG1 2.64Å
159L98.8Very high98.2Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-76.3-31-178.9-62.5171.5000112.3V62 T66 A155 F161 T162 A163 P190 L193 A194 I197V62-L159 HydrophobicContact CG1-CD1 3.99Å; V62-L159 HydrophobicContact CG1-CD2 4.04Å; V62-L159 HydrophobicContact CG1-CG 4.32Å; T66-L159 HydrophobicContact CG2-CD2 3.68Å; A155-L159 WeakPolarHBondContact O-CB 3.48Å; A155-L159 PolarHBondContact O-N 3.5Å; L159-F161 VanDerWaalsContact C-N 3.32Å; L159-T162 WeakPolarHBondContact O-CB 3.38Å; L159-T162 PolarHBondContact O-N 3.38Å; L159-A163 WeakPolarHBondContact O-CB 3.19Å; L159-A163 PolarHBondContact O-N 3Å; L159-P190 HydrophobicContact CB-CB 4.11Å; L159-P190 WeakPolarHBondContact CB-O 3.44Å; L159-P190 HydrophobicContact CD2-CB 4.19Å; L159-L193 HydrophobicContact CD1-CB 4.06Å; L159-L193 HydrophobicContact CD1-CD2 4.02Å; L159-L193 HydrophobicContact CD1-CG 3.83Å; L159-L193 HydrophobicContact CD2-CD2 4.2Å; L159-A194 HydrophobicContact CB-CB 3.94Å; L159-A194 HydrophobicContact CD1-CB 3.73Å; L159-A194 HydrophobicContact CG-CB 4.46Å; L159-I197 HydrophobicContact CD1-CD1 4.16Å
160G98.8Very high98Very high2 Ų25.8 Ų5.82%0.0213%0.032CC..Hα-helixtrans-62.5-40.8168.700000111.6F156 T162 A163 L164 S223F156-G160 WeakPolarHBondContact O-CA 3.22Å; F156-G160 PolarHBondContact O-N 3.04Å; G160-T162 VanDerWaalsContact C-N 3.32Å; G160-T162 PolarHBondContact O-N 3.24Å; G160-A163 WeakPolarHBondContact O-CB 3.22Å; G160-A163 PolarHBondContact O-N 3.01Å; G160-L164 WeakPolarHBondContact O-CG 3.41Å; G160-L164 PolarHBondContact O-N 3.28Å; G160-S223 PolarHBondContact O-OG 2.86Å
161F98.8Very high97.7Very high1 Ų110 Ų100%0.0044%0.044CC..Hα-helixtrans-65.6-42.1176.3177.6-88.2000110.2P67 A88 A91 V92 T157 G158 L159 A163 L164 Y165 S223 Y227P67-F161 HydrophobicContact CB-CD1 4.31Å; A88-F161 HydrophobicContact CB-CZ 4.4Å; A88-F161 WeakPolarHBondContact O-CZ 3.18Å; A91-F161 HydrophobicContact CB-CE2 3.47Å; A91-F161 VanDerWaalsContact CB-CE2 3.47Å; A91-F161 HydrophobicContact CB-CZ 3.8Å; V92-F161 HydrophobicContact CB-CD1 3.66Å; V92-F161 HydrophobicContact CB-CD2 4.44Å; V92-F161 HydrophobicContact CB-CE1 3.72Å; V92-F161 HydrophobicContact CB-CE2 4.48Å; V92-F161 HydrophobicContact CB-CG 4.04Å; V92-F161 HydrophobicContact CB-CZ 4.14Å; V92-F161 HydrophobicContact CG2-CB 4.29Å; V92-F161 HydrophobicContact CG2-CD1 3.7Å; V92-F161 HydrophobicContact CG2-CE1 4.26Å; V92-F161 HydrophobicContact CG2-CG 3.99Å; T157-F161 VanDerWaalsContact O-CB 3.27Å; T157-F161 WeakPolarHBondContact O-CB 3.45Å; T157-F161 PolarHBondContact O-N 3.44Å; G158-F161 PolarHBondContact O-N 3.18Å; L159-F161 VanDerWaalsContact C-N 3.32Å; F161-A163 VanDerWaalsContact C-N 3.3Å; F161-A163 PolarHBondContact O-N 2.6Å; F161-L164 PolarHBondContact O-N 2.99Å; F161-Y165 WeakPolarHBondContact O-CB 3.41Å; F161-Y165 PolarHBondContact O-N 3.42Å; F161-S223 WeakPolarHBondContact CA-OG 3.22Å; F161-S223 PolarHBondContact N-OG 2.93Å; F161-Y227 HydrophobicContact CD2-CD2 4.48Å; F161-Y227 HydrophobicContact CE2-CD2 4.05Å
162T98.8Very high97.5Very high4 Ų49.6 Ų9.63%0.0254%0.044CC..Hα-helixtrans-56.5-45173.9-55.10000111.1T66 P67 V70 G158 L159 G160 Y165 V166 P190T66-T162 HydrophobicContact CG2-CG2 4.24Å; P67-T162 WeakPolarHBondContact CA-OG1 3.22Å; P67-T162 WeakPolarHBondContact CG-OG1 3.36Å; V70-T162 HydrophobicContact CB-CG2 4.08Å; V70-T162 HydrophobicContact CG1-CG2 4.18Å; V70-T162 HydrophobicContact CG2-CG2 3.74Å; G158-T162 PolarHBondContact O-N 3.4Å; G158-T162 PolarHBondContact O-OG1 2.64Å; L159-T162 WeakPolarHBondContact O-CB 3.38Å; L159-T162 PolarHBondContact O-N 3.38Å; G160-T162 VanDerWaalsContact C-N 3.32Å; G160-T162 PolarHBondContact O-N 3.24Å; T162-Y165 PolarHBondContact O-N 3.14Å; T162-V166 HydrophobicContact CG2-CG2 4.38Å; T162-V166 WeakPolarHBondContact O-CB 3.31Å; T162-V166 VanDerWaalsContact O-CG2 3.26Å; T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 3.46Å; T162-P190 HydrophobicContact CG2-CB 4.2Å; T162-P190 HydrophobicContact CG2-CG 4.36Å
163A98.8Very high97.1Very high1 Ų113 Ų131%0.0086%0.059CC..Hα-helixtrans-58.7-52.5176.200000111.2L159 G160 F161 Y165 V166 G167 F187 P190 L191L159-A163 WeakPolarHBondContact O-CB 3.19Å; L159-A163 PolarHBondContact O-N 3Å; G160-A163 WeakPolarHBondContact O-CB 3.22Å; G160-A163 PolarHBondContact O-N 3.01Å; F161-A163 VanDerWaalsContact C-N 3.3Å; F161-A163 PolarHBondContact O-N 2.6Å; A163-Y165 VanDerWaalsContact C-N 3.34Å; A163-Y165 PolarHBondContact O-N 3.35Å; A163-V166 PolarHBondContact O-N 3.13Å; A163-G167 PolarHBondContact O-N 3.25Å; A163-F187 HydrophobicContact CB-CD2 4.29Å; A163-F187 HydrophobicContact CB-CE2 4.11Å; A163-F187 WeakPolarHBondContact CB-O 3.47Å; A163-F187 WeakPolarHBondContact O-CD2 3.34Å; A163-F187 WeakPolarHBondContact O-CE2 3.34Å; A163-P190 HydrophobicContact CB-CG 3.81Å; A163-L191 HydrophobicContact CB-CD1 4.16Å; A163-L191 HydrophobicContact CB-CD2 3.8Å; A163-L191 HydrophobicContact CB-CG 3.69Å
164L98.6Very high96.5Very high24 Ų2413.7 Ų13.713%0.1266%0.062CC..Hα-helixtrans-59-44.6178.4-66.2175.1000111.9G160 F161 G167 G168 W224 Y227 L234G160-L164 WeakPolarHBondContact O-CG 3.41Å; G160-L164 PolarHBondContact O-N 3.28Å; F161-L164 PolarHBondContact O-N 2.99Å; L164-G167 PolarHBondContact O-N 3.39Å; L164-G168 PolarHBondContact O-N 3.22Å; L164-W224 HydrophobicContact CD1-CB 4.27Å; L164-Y227 HydrophobicContact CB-CD1 4.15Å; L164-Y227 HydrophobicContact CB-CD2 3.72Å; L164-Y227 HydrophobicContact CB-CE1 4.39Å; L164-Y227 HydrophobicContact CB-CE2 4Å; L164-Y227 HydrophobicContact CB-CG 3.82Å; L164-Y227 HydrophobicContact CD1-CD1 4.22Å; L164-Y227 HydrophobicContact CD1-CG 3.93Å; L164-Y227 HydrophobicContact CG-CG 4.47Å; L164-L234 HydrophobicContact CD2-CD1 3.92Å; L164-L234 WeakPolarHBondContact O-CD2 3.46Å
165Y98.2Very high95.6Very high2 Ų220.6 Ų20.61%0.00810%0.099CC..Hα-helixtrans-62.1-49.5178.3-178.4-98.4000112V70 I71 F74 D84 A88 F161 T162 A163 G167 G168 K169V70-Y165 HydrophobicContact CG1-CD1 4.05Å; V70-Y165 HydrophobicContact CG1-CE1 4.29Å; I71-Y165 HydrophobicContact CB-CE1 4.43Å; I71-Y165 HydrophobicContact CG1-CD1 4.29Å; I71-Y165 HydrophobicContact CG1-CE1 3.86Å; I71-Y165 HydrophobicContact CG1-CE2 4.23Å; F74-Y165 HydrophobicContact CB-CE1 4.34Å; F74-Y165 HydrophobicContact CD2-CE1 4.26Å; F74-Y165 HydrophobicContact CG-CE1 4.38Å; D84-Y165 PolarHBondContact OD2-OH 3Å; A88-Y165 HydrophobicContact CB-CD2 4.15Å; A88-Y165 HydrophobicContact CB-CE2 3.77Å; F161-Y165 WeakPolarHBondContact O-CB 3.41Å; F161-Y165 PolarHBondContact O-N 3.42Å; T162-Y165 PolarHBondContact O-N 3.14Å; A163-Y165 VanDerWaalsContact C-N 3.34Å; A163-Y165 PolarHBondContact O-N 3.35Å; Y165-G167 VanDerWaalsContact C-N 3.29Å; Y165-G167 PolarHBondContact O-N 2.92Å; Y165-G168 PolarHBondContact O-N 3.39Å; Y165-K169 HydrophobicContact CD1-CG 4.24Å; Y165-K169 HydrophobicContact CE1-CG 3.9Å; Y165-K169 HydrophobicContact CE2-CD 4.44Å; Y165-K169 HydrophobicContact CE2-CG 4.22Å; Y165-K169 VanDerWaalsContact CZ-CE 3.41Å; Y165-K169 WeakPolarHBondContact O-CG 3.39Å; Y165-K169 PolarHBondContact O-N 2.88Å; Y165-K169 WeakPolarHBondContact OH-CE 3.38Å
166V97.6Very high94.4Very high11 Ų1123 Ų237%0.06712%0.123CC..Hα-helixtrans-58.5-43.6173.9171.20000110.7V70 F74 T162 A163 G168 K169 L170 L186V70-V166 HydrophobicContact CG1-CG2 3.67Å; F74-V166 HydrophobicContact CE2-CG2 4.1Å; T162-V166 HydrophobicContact CG2-CG2 4.38Å; T162-V166 WeakPolarHBondContact O-CB 3.31Å; T162-V166 VanDerWaalsContact O-CG2 3.26Å; T162-V166 WeakPolarHBondContact O-CG2 3.39Å; T162-V166 PolarHBondContact O-N 3.46Å; A163-V166 PolarHBondContact O-N 3.13Å; V166-G168 VanDerWaalsContact C-N 3.34Å; V166-G168 PolarHBondContact O-N 3.1Å; V166-K169 PolarHBondContact O-N 3.46Å; V166-L170 HydrophobicContact CG1-CD1 3.63Å; V166-L170 HydrophobicContact CG1-CG 4.16Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.29Å; V166-L186 HydrophobicContact CG1-CB 4.12Å
167G96.5Very high93.2Very high0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-55-46.7176.600000112.9A163 L164 Y165 R171 C172A163-G167 PolarHBondContact O-N 3.25Å; L164-G167 PolarHBondContact O-N 3.39Å; Y165-G167 VanDerWaalsContact C-N 3.29Å; Y165-G167 PolarHBondContact O-N 2.92Å; G167-R171 WeakPolarHBondContact O-CA 3.27Å; G167-R171 PolarHBondContact O-N 2.8Å; G167-C172 PolarHBondContact O-N 2.99Å
168G95.6Very high92.5Very high1 Ų130.4 Ų30.41%0.0115%0.151CC..Hα-helixtrans-67.2-48.9176.900000112L164 Y165 V166 L170 R171 H240L164-G168 PolarHBondContact O-N 3.22Å; Y165-G168 PolarHBondContact O-N 3.39Å; V166-G168 VanDerWaalsContact C-N 3.34Å; V166-G168 PolarHBondContact O-N 3.1Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 3.11Å; G168-R171 PolarHBondContact O-N 3.27Å; G168-H240 WeakPolarHBondContact O-CA 3.46Å; G168-H240 WeakPolarHBondContact O-CB 3.25Å
169K95.3Very high91.9Very high14 Ų1434.7 Ų34.76%0.06120%0.195CC..Hα-helixtrans-65.3-34.8-178.1-65.5-60.2176.3-174.70113.9F74 D84 Y165 V166 R171 H240F74-K169 HydrophobicContact CD1-CB 3.58Å; F74-K169 HydrophobicContact CD1-CG 3.95Å; F74-K169 HydrophobicContact CE1-CB 3.39Å; F74-K169 HydrophobicContact CE1-CG 4.22Å; F74-K169 HydrophobicContact CG-CB 4.37Å; F74-K169 HydrophobicContact CG-CG 4.34Å; F74-K169 HydrophobicContact CZ-CB 4.05Å; D84-K169 IonicContact OD1-NZ 3.26Å; D84-K169 PolarHBondContact OD1-NZ 3.41Å; D84-K169 WeakPolarHBondContact OD2-CE 3.14Å; D84-K169 IonicContact OD2-NZ 3.9Å; D84-K169 PolarHBondContact OD2-NZ 3.44Å; Y165-K169 HydrophobicContact CD1-CG 4.24Å; Y165-K169 HydrophobicContact CE1-CG 3.9Å; Y165-K169 HydrophobicContact CE2-CD 4.44Å; Y165-K169 HydrophobicContact CE2-CG 4.22Å; Y165-K169 VanDerWaalsContact CZ-CE 3.41Å; Y165-K169 WeakPolarHBondContact O-CG 3.39Å; Y165-K169 PolarHBondContact O-N 2.88Å; Y165-K169 WeakPolarHBondContact OH-CE 3.38Å; V166-K169 PolarHBondContact O-N 3.46Å; K169-R171 VanDerWaalsContact C-N 3.32Å; K169-H240 PolarHBondContact NZ-O 3.46Å
170L94.4Very high91.5Very high6 Ų640.6 Ų40.63%0.03122%0.218CC..THydrogen-bonded Turntrans-87.8-2.8174.9-61.2-176.9000112.8F74 R79 V166 G168 C172 W182 R183 L186F74-L170 HydrophobicContact CE1-CD2 3.82Å; F74-L170 HydrophobicContact CE1-CG 4.23Å; F74-L170 HydrophobicContact CZ-CD2 3.92Å; F74-L170 HydrophobicContact CZ-CG 4.01Å; R79-L170 VanDerWaalsContact NH1-CD2 3.34Å; V166-L170 HydrophobicContact CG1-CD1 3.63Å; V166-L170 HydrophobicContact CG1-CG 4.16Å; V166-L170 WeakPolarHBondContact O-CB 3.44Å; V166-L170 WeakPolarHBondContact O-CG 3.47Å; V166-L170 PolarHBondContact O-N 3.29Å; G168-L170 VanDerWaalsContact C-N 3.34Å; G168-L170 PolarHBondContact O-N 3.11Å; L170-C172 PolarHBondContact O-N 3.31Å; L170-W182 HydrophobicContact CD1-CZ3 3.96Å; L170-W182 HydrophobicContact CD2-CH2 4.15Å; L170-W182 HydrophobicContact CD2-CZ3 4.11Å; L170-R183 HydrophobicContact CB-CG 4.35Å; L170-R183 VanDerWaalsContact O-CD 3.29Å; L170-R183 WeakPolarHBondContact O-CD 3.38Å; L170-R183 PolarHBondContact O-NE 2.94Å; L170-R183 PolarHBondContact O-NH1 3.16Å; L170-L186 HydrophobicContact CD1-CB 4Å; L170-L186 HydrophobicContact CD1-CD1 3.71Å
171R93.5Very high91.3Very high98 Ų9844 Ų4437%0.3725%0.245SC..THydrogen-bonded Turntrans52.642.5-177.5-54.3-177.1-176.4172.60.9111.5G167 G168 K169 F173 N174 G177 H240G167-R171 WeakPolarHBondContact O-CA 3.27Å; G167-R171 PolarHBondContact O-N 2.8Å; G168-R171 PolarHBondContact O-N 3.27Å; K169-R171 VanDerWaalsContact C-N 3.32Å; R171-F173 PolarHBondContact O-N 3.44Å; R171-N174 HydrophobicContact CB-CB 4.23Å; R171-N174 PolarHBondContact O-N 3.03Å; R171-G177 WeakPolarHBondContact O-CA 3.34Å; R171-H240 HydrophobicContact CG-CB 4.32Å; R171-H240 PolarHBondContact NE-ND1 2.92Å; R171-H240 PolarHBondContact NH2-CE1 2.91Å; R171-H240 PolarHBondContact NH2-ND1 3.43Å; R171-H240 PolarHBondContact NH2-NE2 3.43Å
172C92.1Very high91.1Very high11 Ų1149.7 Ų49.77%0.07427%0.267CS..THydrogen-bonded Turntrans-56.3-36-169.2-68.40000113.6G167 L170 R183G167-C172 PolarHBondContact O-N 2.99Å; L170-C172 PolarHBondContact O-N 3.31Å; C172-R183 PolarHBondContact SG-O 3.29Å
173F89.9Confident90.9Very high71 Ų7151.1 Ų51.131%0.31127%0.272SS..THydrogen-bonded Turntrans-113.15.4-171.8-58.2-75.7000114R171 R178 L184 F187 L234 Q235R171-F173 PolarHBondContact O-N 3.44Å; F173-R178 WeakPolarHBondContact O-CD 3.43Å; F173-L184 HydrophobicContact CE1-CD1 4.33Å; F173-L184 HydrophobicContact CZ-CD1 4.11Å; F173-F187 HydrophobicContact CE2-CD1 4.18Å; F173-F187 HydrophobicContact CE2-CD2 4.04Å; F173-F187 HydrophobicContact CE2-CE1 4.08Å; F173-F187 AromaticContact CE2-CE2 3.95Å; F173-F187 HydrophobicContact CE2-CE2 3.95Å; F173-F187 HydrophobicContact CE2-CG 4.18Å; F173-F187 AromaticContact CE2-CZ 3.97Å; F173-F187 HydrophobicContact CE2-CZ 3.97Å; F173-F187 AromaticContact CZ-CD1 4Å; F173-F187 HydrophobicContact CZ-CD1 4Å; F173-F187 AromaticContact CZ-CE1 3.92Å; F173-F187 HydrophobicContact CZ-CE1 3.92Å; F173-F187 HydrophobicContact CZ-CG 4.39Å; F173-F187 HydrophobicContact CZ-CZ 4.24Å; F173-L234 HydrophobicContact CB-CB 4.3Å; F173-L234 HydrophobicContact CD2-CB 3.94Å; F173-L234 HydrophobicContact CD2-CD1 3.76Å; F173-L234 HydrophobicContact CD2-CG 4.5Å; F173-L234 HydrophobicContact CE2-CD1 3.93Å; F173-Q235 HydrophobicContact CB-CG 4.4Å
174N87.1Confident90.7Very high14 Ų1454.7 Ų54.78%0.07529%0.29CS..SBendtrans-88.7154.9173.9177.54.3000110.2R171 G176 G177 R178 P237R171-N174 HydrophobicContact CB-CB 4.23Å; R171-N174 PolarHBondContact O-N 3.03Å; N174-G176 PolarHBondContact O-N 2.89Å; N174-G176 VanDerWaalsContact O-N 3.11Å; N174-G177 CarbonylContact O-C 3.25Å; N174-G177 PolarHBondContact O-N 3.19Å; N174-R178 WeakPolarHBondContact O-CG 3.37Å; N174-R178 PolarHBondContact O-N 2.98Å; N174-P237 VanDerWaalsContact ND2-CA 3.27Å; N174-P237 WeakPolarHBondContact ND2-CA 3.07Å; N174-P237 PolarHBondContact ND2-O 2.72Å
175L79.6Confident90.6Very high157 Ų15757.5 Ų57.582%0.82231%0.311SS*.THydrogen-bonded Turntrans-46.4-39.8175.5-68.2171.8000113G177L175-G177 PolarHBondContact O-N 3.26Å
176G73.2Confident90.5Very high49 Ų4961.5 Ų61.551%0.50533%0.332SS..THydrogen-bonded Turntrans-71.7-5.8178.400000115.7N174N174-G176 PolarHBondContact O-N 2.89Å; N174-G176 VanDerWaalsContact O-N 3.11Å
177G74.3Confident90.5Very high1 Ų162.1 Ų62.11%0.0133%0.334CS..THydrogen-bonded Turntrans-140.7-11.3-174.300000117.6R171 N174 L175R171-G177 WeakPolarHBondContact O-CA 3.34Å; N174-G177 CarbonylContact O-C 3.25Å; N174-G177 PolarHBondContact O-N 3.19Å; L175-G177 PolarHBondContact O-N 3.26Å
178R83.9Confident90.6Very high171 Ų17166 Ų6665%0.64535%0.354SS*.THydrogen-bonded Turntrans-57150.6172.2-78.8175.175.2165.41.8111.1F173 N174 R180F173-R178 WeakPolarHBondContact O-CD 3.43Å; N174-R178 WeakPolarHBondContact O-CG 3.37Å; N174-R178 PolarHBondContact O-N 2.98Å; R178-R180 PolarHBondContact O-N 3.15Å
179G86.3Confident90.7Very high90 Ų9068.5 Ų68.593%0.92838%0.375SS*.THydrogen-bonded Turntrans83.6-0.4177.900000115.6
180R91.3Very high90.9Very high125 Ų12568.6 Ų68.647%0.47238%0.376SS..  trans-100.6101.1178.9-59.4-176.2-168.6-159.47111.3R178 W182 R183R178-R180 PolarHBondContact O-N 3.15Å; R180-W182 VanDerWaalsContact C-N 3.32Å; R180-W182 PolarHBondContact O-N 3.3Å; R180-R183 HydrophobicContact CB-CG 4.07Å; R180-R183 VanDerWaalsContact NH1-NH2 3.11Å; R180-R183 WeakPolarHBondContact O-CB 3.36Å; R180-R183 PolarHBondContact O-N 3.25Å
181A93.4Very high91.1Very high72 Ų7270.1 Ų70.160%0.59538%0.384SS*.Hα-helixtrans-53.1-42.9-174.900000113.8R183 L184 C185A181-R183 PolarHBondContact O-N 3.13Å; A181-L184 WeakPolarHBondContact O-CA 3.17Å; A181-L184 WeakPolarHBondContact O-CB 3.47Å; A181-L184 PolarHBondContact O-N 2.98Å; A181-C185 PolarHBondContact O-N 3Å; A181-C185 PolarHBondContact O-SG 2.88Å; A181-C185 VanDerWaalsContact O-SG 3.34Å
182W94.6Very high91.3Very high122 Ų12270.7 Ų70.746%0.46239%0.394SS..Hα-helixtrans-59.1-32.4-179.570.9-96.3000113.5L170 R180 C185 L186L170-W182 HydrophobicContact CD1-CZ3 3.96Å; L170-W182 HydrophobicContact CD2-CH2 4.15Å; L170-W182 HydrophobicContact CD2-CZ3 4.11Å; R180-W182 VanDerWaalsContact C-N 3.32Å; R180-W182 PolarHBondContact O-N 3.3Å; W182-C185 PolarHBondContact O-N 3.36Å; W182-L186 HydrophobicContact CE3-CD1 3.67Å; W182-L186 HydrophobicContact CZ3-CD1 3.76Å; W182-L186 WeakPolarHBondContact O-CG 3.33Å; W182-L186 PolarHBondContact O-N 3.46Å; W182-L186 VanDerWaalsContact O-N 3.07Å
183R94.3Very high91.6Very high34 Ų3473.8 Ų73.813%0.12841%0.41CS..Hα-helixtrans-70-39.3176.8-63.7-171.7176.5179.410.4111.1L170 C172 R180 A181 F187L170-R183 HydrophobicContact CB-CG 4.35Å; L170-R183 VanDerWaalsContact O-CD 3.29Å; L170-R183 WeakPolarHBondContact O-CD 3.38Å; L170-R183 PolarHBondContact O-NE 2.94Å; L170-R183 PolarHBondContact O-NH1 3.16Å; C172-R183 PolarHBondContact SG-O 3.29Å; R180-R183 HydrophobicContact CB-CG 4.07Å; R180-R183 VanDerWaalsContact NH1-NH2 3.11Å; R180-R183 WeakPolarHBondContact O-CB 3.36Å; R180-R183 PolarHBondContact O-N 3.25Å; A181-R183 PolarHBondContact O-N 3.13Å; R183-F187 WeakPolarHBondContact O-CB 3.26Å; R183-F187 PolarHBondContact O-N 2.92Å
184L94.6Very high92Very high76 Ų7670.4 Ų70.440%0.39840%0.395SS..Hα-helixtrans-66.4-43174.5-177.562.7000110.9F173 A181 L186 F187 L188F173-L184 HydrophobicContact CE1-CD1 4.33Å; F173-L184 HydrophobicContact CZ-CD1 4.11Å; A181-L184 WeakPolarHBondContact O-CA 3.17Å; A181-L184 WeakPolarHBondContact O-CB 3.47Å; A181-L184 PolarHBondContact O-N 2.98Å; L184-L186 VanDerWaalsContact C-N 3.34Å; L184-L186 PolarHBondContact O-N 3.02Å; L184-F187 HydrophobicContact CD1-CD1 4.2Å; L184-F187 WeakPolarHBondContact O-CB 3.43Å; L184-F187 PolarHBondContact O-N 3.4Å; L184-F187 VanDerWaalsContact O-N 3.16Å; L184-L188 HydrophobicContact CD1-CD1 4.09Å; L184-L188 HydrophobicContact CD1-CG 4.08Å; L184-L188 HydrophobicContact CD2-CD1 4.5Å; L184-L188 HydrophobicContact CG-CD1 3.9Å; L184-L188 HydrophobicContact CG-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CB 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.42Å
185C96.9Very high92.6Very high82 Ų8274.7 Ų74.755%0.55441%0.413SS*.Hα-helixtrans-59.2-44.7176.1-63.30000111.9A181 W182 F187 L188 A189A181-C185 PolarHBondContact O-N 3Å; A181-C185 PolarHBondContact O-SG 2.88Å; A181-C185 VanDerWaalsContact O-SG 3.34Å; W182-C185 PolarHBondContact O-N 3.36Å; C185-F187 VanDerWaalsContact C-N 3.32Å; C185-F187 PolarHBondContact O-N 2.92Å; C185-L188 PolarHBondContact O-N 3.46Å; C185-A189 WeakPolarHBondContact O-CB 3.38Å; C185-A189 PolarHBondContact O-N 3.33Å
186L96.9Very high93.5Very high86 Ų8672.6 Ų72.645%0.4540%0.401SS..Hα-helixtrans-66.2-32.7176.4-70.3177.5000113.1V166 L170 W182 L184 P190V166-L186 HydrophobicContact CG1-CB 4.12Å; L170-L186 HydrophobicContact CD1-CB 4Å; L170-L186 HydrophobicContact CD1-CD1 3.71Å; W182-L186 HydrophobicContact CE3-CD1 3.67Å; W182-L186 HydrophobicContact CZ3-CD1 3.76Å; W182-L186 WeakPolarHBondContact O-CG 3.33Å; W182-L186 PolarHBondContact O-N 3.46Å; W182-L186 VanDerWaalsContact O-N 3.07Å; L184-L186 VanDerWaalsContact C-N 3.34Å; L184-L186 PolarHBondContact O-N 3.02Å; L186-P190 VanDerWaalsContact O-CD 3.26Å; L186-P190 WeakPolarHBondContact O-CD 3.43Å
187F97.1Very high94.7Very high25 Ų2570.7 Ų70.711%0.1138%0.379CS..Hα-helixtrans-67.8-42.1172.7170-94.1000111.9A163 F173 R183 L184 C185 P190 L191 L234A163-F187 HydrophobicContact CB-CD2 4.29Å; A163-F187 HydrophobicContact CB-CE2 4.11Å; A163-F187 WeakPolarHBondContact CB-O 3.47Å; A163-F187 WeakPolarHBondContact O-CD2 3.34Å; A163-F187 WeakPolarHBondContact O-CE2 3.34Å; F173-F187 HydrophobicContact CE2-CD1 4.18Å; F173-F187 HydrophobicContact CE2-CD2 4.04Å; F173-F187 HydrophobicContact CE2-CE1 4.08Å; F173-F187 AromaticContact CE2-CE2 3.95Å; F173-F187 HydrophobicContact CE2-CE2 3.95Å; F173-F187 HydrophobicContact CE2-CG 4.18Å; F173-F187 AromaticContact CE2-CZ 3.97Å; F173-F187 HydrophobicContact CE2-CZ 3.97Å; F173-F187 AromaticContact CZ-CD1 4Å; F173-F187 HydrophobicContact CZ-CD1 4Å; F173-F187 AromaticContact CZ-CE1 3.92Å; F173-F187 HydrophobicContact CZ-CE1 3.92Å; F173-F187 HydrophobicContact CZ-CG 4.39Å; F173-F187 HydrophobicContact CZ-CZ 4.24Å; R183-F187 WeakPolarHBondContact O-CB 3.26Å; R183-F187 PolarHBondContact O-N 2.92Å; L184-F187 HydrophobicContact CD1-CD1 4.2Å; L184-F187 WeakPolarHBondContact O-CB 3.43Å; L184-F187 PolarHBondContact O-N 3.4Å; L184-F187 VanDerWaalsContact O-N 3.16Å; C185-F187 VanDerWaalsContact C-N 3.32Å; C185-F187 PolarHBondContact O-N 2.92Å; F187-P190 WeakPolarHBondContact O-CD 3.47Å; F187-P190 WeakPolarHBondContact O-CG 3.45Å; F187-L191 HydrophobicContact CE1-CD1 4.07Å; F187-L191 HydrophobicContact CZ-CD1 4.34Å; F187-L234 HydrophobicContact CE2-CD1 4.03Å
188L97.9Very high95.8Very high82 Ų8270.7 Ų70.743%0.42938%0.378SS..Hα-helixtrans-79.1-28.1-177.3-67.6177.5000113.6L184 C185 L191 L192L184-L188 HydrophobicContact CD1-CD1 4.09Å; L184-L188 HydrophobicContact CD1-CG 4.08Å; L184-L188 HydrophobicContact CD2-CD1 4.5Å; L184-L188 HydrophobicContact CG-CD1 3.9Å; L184-L188 HydrophobicContact CG-CG 4.28Å; L184-L188 WeakPolarHBondContact O-CB 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.31Å; L184-L188 PolarHBondContact O-N 3.42Å; C185-L188 PolarHBondContact O-N 3.46Å; L188-L191 HydrophobicContact CD2-CD1 4.28Å; L188-L191 WeakPolarHBondContact O-CA 3.2Å; L188-L191 WeakPolarHBondContact O-CB 3.45Å; L188-L191 PolarHBondContact O-N 3.36Å; L188-L192 PolarHBondContact O-N 3.43Å
189A98.4Very high96.5Very high53 Ų5365.5 Ų65.544%0.43836%0.363SS..Hα-helixtrans-51.1-50.6-178.100000114.6C185 L191 L192 L193C185-A189 WeakPolarHBondContact O-CB 3.38Å; C185-A189 PolarHBondContact O-N 3.33Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-L191 PolarHBondContact O-N 2.85Å; A189-L192 PolarHBondContact O-N 3.41Å; A189-L193 PolarHBondContact O-N 3.05Å
190P98.6Very high97.1Very high15 Ų1561.7 Ų61.710%0.09732%0.322CS..Hα-helixtrans-64.6-33.6175.924.7-34.6000112.9L159 T162 A163 L186 F187 L193 A194L159-P190 HydrophobicContact CB-CB 4.11Å; L159-P190 WeakPolarHBondContact CB-O 3.44Å; L159-P190 HydrophobicContact CD2-CB 4.19Å; T162-P190 HydrophobicContact CG2-CB 4.2Å; T162-P190 HydrophobicContact CG2-CG 4.36Å; A163-P190 HydrophobicContact CB-CG 3.81Å; L186-P190 VanDerWaalsContact O-CD 3.26Å; L186-P190 WeakPolarHBondContact O-CD 3.43Å; F187-P190 WeakPolarHBondContact O-CD 3.47Å; F187-P190 WeakPolarHBondContact O-CG 3.45Å; P190-L193 PolarHBondContact O-N 2.97Å; P190-A194 PolarHBondContact O-N 3.24Å
191L98.6Very high97.4Very high38 Ų3855.8 Ų55.820%0.19930%0.3CS..Hα-helixtrans-67.5-39.1175.8-62.4178.7000111.9A163 F187 L188 A189 L193 A194 F195 L220A163-L191 HydrophobicContact CB-CD1 4.16Å; A163-L191 HydrophobicContact CB-CD2 3.8Å; A163-L191 HydrophobicContact CB-CG 3.69Å; F187-L191 HydrophobicContact CE1-CD1 4.07Å; F187-L191 HydrophobicContact CZ-CD1 4.34Å; L188-L191 HydrophobicContact CD2-CD1 4.28Å; L188-L191 WeakPolarHBondContact O-CA 3.2Å; L188-L191 WeakPolarHBondContact O-CB 3.45Å; L188-L191 PolarHBondContact O-N 3.36Å; A189-L191 VanDerWaalsContact C-N 3.32Å; A189-L191 PolarHBondContact O-N 2.85Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L191-A194 WeakPolarHBondContact O-CB 3.33Å; L191-A194 PolarHBondContact O-N 3.41Å; L191-F195 WeakPolarHBondContact O-CB 3.45Å; L191-F195 PolarHBondContact O-N 2.57Å; L191-L220 HydrophobicContact CD2-CD2 4.11Å
192L98.6Very high97.6Very high110 Ų11054.6 Ų54.658%0.57629%0.285SS*.Hα-helixtrans-61.9-44.5174179.961.7000110.7L188 A189 A194 F195 M196L188-L192 PolarHBondContact O-N 3.43Å; A189-L192 PolarHBondContact O-N 3.41Å; L192-A194 VanDerWaalsContact C-N 3.33Å; L192-A194 PolarHBondContact O-N 3.26Å; L192-F195 WeakPolarHBondContact O-CB 3.23Å; L192-F195 PolarHBondContact O-N 2.76Å; L192-M196 WeakPolarHBondContact O-CG 3.3Å; L192-M196 PolarHBondContact O-N 3.31Å
193L98.6Very high97.7Very high77 Ų7752.1 Ų52.140%0.40329%0.286SS..Hα-helixtrans-60.6-42.7175-18060.5000111.9V62 L159 A189 P190 L191 F195 M196 I197V62-L193 HydrophobicContact CG1-CD2 3.93Å; L159-L193 HydrophobicContact CD1-CB 4.06Å; L159-L193 HydrophobicContact CD1-CD2 4.02Å; L159-L193 HydrophobicContact CD1-CG 3.83Å; L159-L193 HydrophobicContact CD2-CD2 4.2Å; A189-L193 PolarHBondContact O-N 3.05Å; P190-L193 PolarHBondContact O-N 2.97Å; L191-L193 VanDerWaalsContact C-N 3.34Å; L193-F195 VanDerWaalsContact C-N 3.27Å; L193-F195 PolarHBondContact O-N 2.95Å; L193-M196 PolarHBondContact O-N 3.25Å; L193-I197 HydrophobicContact CG-CD1 4.32Å; L193-I197 WeakPolarHBondContact O-CG1 3.42Å; L193-I197 PolarHBondContact O-N 3.36Å
194A98.7Very high97.8Very high0 Ų050.6 Ų50.60%028%0.28CS..Hα-helixtrans-60.2-40.417600000111.6A155 F156 L159 P190 L191 L192 I197 A198A155-A194 HydrophobicContact CB-CB 4.35Å; F156-A194 HydrophobicContact CD1-CB 4.13Å; F156-A194 HydrophobicContact CD2-CB 3.87Å; F156-A194 HydrophobicContact CE1-CB 4.16Å; F156-A194 HydrophobicContact CE2-CB 3.89Å; F156-A194 HydrophobicContact CG-CB 4.02Å; F156-A194 HydrophobicContact CZ-CB 4.05Å; L159-A194 HydrophobicContact CB-CB 3.94Å; L159-A194 HydrophobicContact CD1-CB 3.73Å; L159-A194 HydrophobicContact CG-CB 4.46Å; P190-A194 PolarHBondContact O-N 3.24Å; L191-A194 WeakPolarHBondContact O-CB 3.33Å; L191-A194 PolarHBondContact O-N 3.41Å; L192-A194 VanDerWaalsContact C-N 3.33Å; L192-A194 PolarHBondContact O-N 3.26Å; A194-I197 PolarHBondContact O-N 3.03Å; A194-A198 VanDerWaalsContact O-CB 3.31Å; A194-A198 WeakPolarHBondContact O-CB 3.37Å; A194-A198 PolarHBondContact O-N 3.39Å
195F98.3Very high97.9Very high103 Ų10350.6 Ų50.645%0.45228%0.275SS..Hα-helixtrans-65.4-42.7177.1-167.6-109.8000112F156 L191 L192 L193 I197 A198 L199F156-F195 HydrophobicContact CZ-CB 4.14Å; F156-F195 HydrophobicContact CZ-CD2 4.17Å; L191-F195 WeakPolarHBondContact O-CB 3.45Å; L191-F195 PolarHBondContact O-N 2.57Å; L192-F195 WeakPolarHBondContact O-CB 3.23Å; L192-F195 PolarHBondContact O-N 2.76Å; L193-F195 VanDerWaalsContact C-N 3.27Å; L193-F195 PolarHBondContact O-N 2.95Å; F195-I197 VanDerWaalsContact C-N 3.35Å; F195-I197 PolarHBondContact O-N 2.9Å; F195-A198 PolarHBondContact O-N 3.24Å; F195-L199 HydrophobicContact CD1-CD1 3.7Å; F195-L199 HydrophobicContact CD1-CG 4.12Å; F195-L199 HydrophobicContact CE1-CD1 3.25Å; F195-L199 HydrophobicContact CE1-CD2 4.38Å; F195-L199 HydrophobicContact CE1-CG 3.85Å; F195-L199 HydrophobicContact CE2-CD2 4.42Å; F195-L199 HydrophobicContact CE2-CG 4.38Å; F195-L199 HydrophobicContact CZ-CD1 3.76Å; F195-L199 HydrophobicContact CZ-CD2 4.04Å; F195-L199 HydrophobicContact CZ-CG 3.97Å; F195-L199 WeakPolarHBondContact O-CB 3.41Å; F195-L199 WeakPolarHBondContact O-CG 3.29Å; F195-L199 PolarHBondContact O-N 3.26Å
196M98.5Very high97.9Very high114 Ų11447.2 Ų47.256%0.56225%0.251SS*.Hα-helixtrans-61.4-42.2175.2-65.4-54.5-66.400112.1L192 L193 A198 S200L192-M196 WeakPolarHBondContact O-CG 3.3Å; L192-M196 PolarHBondContact O-N 3.31Å; L193-M196 PolarHBondContact O-N 3.25Å; M196-A198 VanDerWaalsContact C-N 3.35Å; M196-S200 PolarHBondContact O-N 2.94Å; M196-S200 VanDerWaalsContact O-N 3.1Å
197I98.6Very high97.9Very high9 Ų943.3 Ų43.35%0.04623%0.231CC..Hα-helixtrans-62.5-43.9174.3-66.1168.9000110.5V54 M59 V62 A155 L159 L193 A194 F195 S200V54-I197 HydrophobicContact CG1-CG1 4.33Å; V54-I197 HydrophobicContact CG1-CG2 4.15Å; M59-I197 HydrophobicContact CB-CG2 4.39Å; M59-I197 HydrophobicContact CG-CG2 3.82Å; V62-I197 HydrophobicContact CB-CD1 4.42Å; V62-I197 HydrophobicContact CG1-CD1 4Å; A155-I197 HydrophobicContact CB-CB 4.11Å; A155-I197 HydrophobicContact CB-CD1 4.25Å; A155-I197 HydrophobicContact CB-CG2 3.83Å; L159-I197 HydrophobicContact CD1-CD1 4.16Å; L193-I197 HydrophobicContact CG-CD1 4.32Å; L193-I197 WeakPolarHBondContact O-CG1 3.42Å; L193-I197 PolarHBondContact O-N 3.36Å; A194-I197 PolarHBondContact O-N 3.03Å; F195-I197 VanDerWaalsContact C-N 3.35Å; F195-I197 PolarHBondContact O-N 2.9Å; I197-S200 WeakPolarHBondContact O-CB 3.37Å; I197-S200 PolarHBondContact O-N 2.78Å; I197-S200 PolarHBondContact O-OG 3Å
198A98.4Very high98Very high0 Ų043 Ų430%023%0.23CC..Hα-helixtrans-65.5-44.2-179.200000112.5S152 F156 A194 F195 M196 S200 R201 V212S152-A198 WeakPolarHBondContact OG-CB 3.4Å; F156-A198 HydrophobicContact CD2-CB 4.4Å; F156-A198 HydrophobicContact CE2-CB 3.82Å; A194-A198 VanDerWaalsContact O-CB 3.31Å; A194-A198 WeakPolarHBondContact O-CB 3.37Å; A194-A198 PolarHBondContact O-N 3.39Å; F195-A198 PolarHBondContact O-N 3.24Å; M196-A198 VanDerWaalsContact C-N 3.35Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 3.04Å; A198-R201 WeakPolarHBondContact O-CB 3.44Å; A198-R201 PolarHBondContact O-N 3.33Å; A198-V212 HydrophobicContact CB-CG1 3.86Å
199L98.3Very high98Very high63 Ų6347.1 Ų47.133%0.3324%0.239SC..Hα-helixtrans-67.1-28.5177.5-72.8-174.3000113.2F195 R201 T202 C203F195-L199 HydrophobicContact CD1-CD1 3.7Å; F195-L199 HydrophobicContact CD1-CG 4.12Å; F195-L199 HydrophobicContact CE1-CD1 3.25Å; F195-L199 HydrophobicContact CE1-CD2 4.38Å; F195-L199 HydrophobicContact CE1-CG 3.85Å; F195-L199 HydrophobicContact CE2-CD2 4.42Å; F195-L199 HydrophobicContact CE2-CG 4.38Å; F195-L199 HydrophobicContact CZ-CD1 3.76Å; F195-L199 HydrophobicContact CZ-CD2 4.04Å; F195-L199 HydrophobicContact CZ-CG 3.97Å; F195-L199 WeakPolarHBondContact O-CB 3.41Å; F195-L199 WeakPolarHBondContact O-CG 3.29Å; F195-L199 PolarHBondContact O-N 3.26Å; L199-R201 PolarHBondContact O-N 3.12Å; L199-T202 PolarHBondContact O-N 2.9Å; L199-T202 PolarHBondContact O-OG1 3.45Å; L199-C203 PolarHBondContact O-N 3.19Å; L199-C203 PolarHBondContact O-SG 3.02Å
200S98.1Very high98Very high9 Ų947.5 Ų47.56%0.06323%0.232CC..Hα-helixtrans-53.6-29.4174.278.60000112.3M196 I197 A198 T202 C203 D204M196-S200 PolarHBondContact O-N 2.94Å; M196-S200 VanDerWaalsContact O-N 3.1Å; I197-S200 WeakPolarHBondContact O-CB 3.37Å; I197-S200 PolarHBondContact O-N 2.78Å; I197-S200 PolarHBondContact O-OG 3Å; A198-S200 VanDerWaalsContact C-N 3.3Å; A198-S200 PolarHBondContact O-N 3.04Å; S200-T202 PolarHBondContact O-N 2.96Å; S200-C203 WeakPolarHBondContact O-CB 3.39Å; S200-C203 PolarHBondContact O-N 3.27Å; S200-D204 PolarHBondContact O-N 3.05Å
201R97.9Very high98Very high2 Ų246.8 Ų46.81%0.00823%0.228CC..Hα-helixtrans-72.3-28.2-179.1-59.7-57.673.9-176.1-20.1114.6D52 V54 H151 A198 L199 D204 K206 H207 V212D52-R201 VanDerWaalsContact CB-NH2 3.34Å; D52-R201 VanDerWaalsContact CG-NH2 3.31Å; D52-R201 IonicContact OD1-NH1 3.87Å; D52-R201 IonicContact OD1-NH2 3.58Å; D52-R201 IonicContact OD2-CZ 3.59Å; D52-R201 IonicContact OD2-NH1 2.7Å; D52-R201 PolarHBondContact OD2-NH1 3.25Å; D52-R201 IonicContact OD2-NH2 2.82Å; V54-R201 PolarHBondContact O-NH1 3.39Å; H151-R201 HydrophobicContact CB-CG 3.84Å; H151-R201 PolarHBondContact NE2-NH1 3.39Å; H151-R201 VanDerWaalsContact NE2-NH1 3.11Å; A198-R201 WeakPolarHBondContact O-CB 3.44Å; A198-R201 PolarHBondContact O-N 3.33Å; L199-R201 PolarHBondContact O-N 3.12Å; R201-D204 IonicContact CZ-OD2 3.9Å; R201-D204 IonicContact NH2-OD2 2.87Å; R201-D204 PolarHBondContact NH2-OD2 2.98Å; R201-K206 PolarHBondContact O-N 2.9Å; R201-H207 HydrophobicContact CB-CB 4.04Å; R201-H207 PolarHBondContact O-N 2.88Å; R201-V212 HydrophobicContact CB-CG2 4.23Å
202T97.1Very high98Very high46 Ų4645.5 Ų45.528%0.28222%0.221SC..Hα-helixtrans-77.6-36.7171.6550000110.4L199 S200 D204 Y205 V212L199-T202 PolarHBondContact O-N 2.9Å; L199-T202 PolarHBondContact O-OG1 3.45Å; S200-T202 PolarHBondContact O-N 2.96Å; T202-D204 VanDerWaalsContact C-N 3.26Å; T202-D204 PolarHBondContact O-N 3.34Å; T202-Y205 PolarHBondContact O-N 3.34Å; T202-V212 HydrophobicContact CG2-CG2 3.98Å
203C96.4Very high98Very high71 Ų7145.5 Ų45.548%0.4822%0.221SC..Hα-helixtrans-61.8-35.5174.6-58.80000112.4L199 S200 Y205L199-C203 PolarHBondContact O-N 3.19Å; L199-C203 PolarHBondContact O-SG 3.02Å; S200-C203 WeakPolarHBondContact O-CB 3.39Å; S200-C203 PolarHBondContact O-N 3.27Å; C203-Y205 VanDerWaalsContact C-N 3.31Å
204D97Very high98Very high1 Ų144.7 Ų44.71%0.00522%0.22CC..THydrogen-bonded Turntrans-88.67.2-179.9-67-45.1000114.2V49 H53 S200 R201 T202 K206V49-D204 HydrophobicContact CB-CB 4.41Å; V49-D204 WeakPolarHBondContact CG1-OD1 3.43Å; H53-D204 WeakPolarHBondContact CB-OD2 3.46Å; H53-D204 IonicContact CE1-OD1 3.9Å; H53-D204 PolarHBondContact CE1-OD1 3.41Å; H53-D204 IonicContact CG-OD1 2.8Å; H53-D204 IonicContact CG-OD2 3.45Å; H53-D204 PolarHBondContact N-OD2 3.11Å; H53-D204 VanDerWaalsContact ND1-CG 3.29Å; H53-D204 IonicContact ND1-OD1 2.63Å; H53-D204 PolarHBondContact ND1-OD1 2.75Å; H53-D204 IonicContact ND1-OD2 3.33Å; H53-D204 PolarHBondContact ND1-OD2 3.44Å; S200-D204 PolarHBondContact O-N 3.05Å; R201-D204 IonicContact CZ-OD2 3.9Å; R201-D204 IonicContact NH2-OD2 2.87Å; R201-D204 PolarHBondContact NH2-OD2 2.98Å; T202-D204 VanDerWaalsContact C-N 3.26Å; T202-D204 PolarHBondContact O-N 3.34Å; D204-K206 HydrophobicContact CB-CG 3.76Å; D204-K206 WeakPolarHBondContact O-CG 3.45Å; D204-K206 PolarHBondContact O-N 3.33Å
205Y96.9Very high98Very high76 Ų7644.7 Ų44.730%0.29822%0.22SC..THydrogen-bonded Turntrans53.228.4-177.5-52.5-72.7000113.7F46 H47 V49 P115 D116 T202 C203F46-Y205 HydrophobicContact CB-CD1 3.81Å; F46-Y205 HydrophobicContact CB-CD2 4.35Å; F46-Y205 HydrophobicContact CB-CG 3.69Å; F46-Y205 AromaticContact CD1-CD1 3.28Å; F46-Y205 HydrophobicContact CD1-CD1 3.28Å; F46-Y205 AromaticContact CD1-CE1 3.28Å; F46-Y205 HydrophobicContact CD1-CE1 3.28Å; F46-Y205 AromaticContact CD1-CG 3.98Å; F46-Y205 HydrophobicContact CD1-CG 3.98Å; F46-Y205 AromaticContact CD1-CZ 3.99Å; F46-Y205 HydrophobicContact CD2-CD1 4.29Å; F46-Y205 AromaticContact CE1-CD1 3.86Å; F46-Y205 HydrophobicContact CE1-CD1 3.86Å; F46-Y205 AromaticContact CE1-CE1 3.58Å; F46-Y205 HydrophobicContact CE1-CE1 3.58Å; F46-Y205 AromaticContact CG-CD1 3.53Å; F46-Y205 HydrophobicContact CG-CD1 3.53Å; F46-Y205 HydrophobicContact CG-CE1 4.05Å; F46-Y205 AromaticContact CG-CG 3.97Å; F46-Y205 HydrophobicContact CG-CG 3.97Å; H47-Y205 AromaticContact CE1-CD2 3.91Å; H47-Y205 AromaticContact CE1-CE2 3.62Å; H47-Y205 AromaticContact NE2-CE2 3.37Å; H47-Y205 WeakPolarHBondContact NE2-CE2 3.46Å; V49-Y205 HydrophobicContact CG2-CD2 4.17Å; P115-Y205 WeakPolarHBondContact CB-O 3.41Å; P115-Y205 WeakPolarHBondContact CD-O 3.07Å; D116-Y205 PolarHBondContact N-O 3.49Å; T202-Y205 PolarHBondContact O-N 3.34Å; C203-Y205 VanDerWaalsContact C-N 3.31Å
206K96.7Very high98Very high12 Ų1240.4 Ų40.45%0.05220%0.202CC..SBendtrans-88.5-25.8-178.9-63.9-57175.9-169.90112.3V49 D52 R114 D116 R201 D204V49-K206 PolarHBondContact O-NZ 3.36Å; D52-K206 WeakPolarHBondContact OD1-CE 3.26Å; R114-K206 WeakPolarHBondContact CD-O 3.21Å; R114-K206 VanDerWaalsContact CG-O 3.25Å; R114-K206 WeakPolarHBondContact CG-O 3.05Å; R114-K206 PolarHBondContact NH1-O 3.42Å; D116-K206 WeakPolarHBondContact OD2-CD 3.4Å; D116-K206 IonicContact OD2-NZ 3.92Å; D116-K206 PolarHBondContact OD2-NZ 2.95Å; R201-K206 PolarHBondContact O-N 2.9Å; D204-K206 HydrophobicContact CB-CG 3.76Å; D204-K206 WeakPolarHBondContact O-CG 3.45Å; D204-K206 PolarHBondContact O-N 3.33Å
207H98.1Very high98Very high4 Ų436.5 Ų36.52%0.01919%0.192CC..SBendtrans-146.1144.3-174.9-73.4-67.7000110.6R114 S146 R201 D211 V212R114-H207 PolarHBondContact NH1-CE1 2.9Å; R114-H207 VanDerWaalsContact NH1-CE1 3.34Å; R114-H207 PolarHBondContact NH1-NE2 2.89Å; S146-H207 PolarHBondContact O-CE1 2.68Å; S146-H207 PolarHBondContact O-ND1 3.2Å; S146-H207 PolarHBondContact OG-ND1 3.43Å; R201-H207 HydrophobicContact CB-CB 4.04Å; R201-H207 PolarHBondContact O-N 2.88Å; H207-D211 HydrophobicContact CB-CB 4.06Å; H207-D211 IonicContact ND1-OD2 3.6Å; H207-V212 HydrophobicContact CB-CG2 4.03Å
208H97.9Very high98Very high18 Ų1837.5 Ų37.58%0.08320%0.197CC..  trans-74159.6166.4-50.480.4000109.6Y44 R112 P113 Q210 D211 V212Y44-H208 AromaticContact CE1-CE1 3.93Å; Y44-H208 AromaticContact CE1-NE2 3.98Å; R112-H208 VanDerWaalsContact CZ-CG 3.46Å; R112-H208 VanDerWaalsContact CZ-ND1 3.3Å; R112-H208 PolarHBondContact NE-ND1 3.45Å; R112-H208 PolarHBondContact NH2-CD2 2.93Å; R112-H208 VanDerWaalsContact NH2-CD2 3.26Å; R112-H208 PolarHBondContact NH2-ND1 3.42Å; P113-H208 PolarHBondContact O-CE1 3.22Å; H208-Q210 PolarHBondContact O-N 3Å; H208-D211 WeakPolarHBondContact CB-OD2 3.4Å; H208-D211 IonicContact CG-OD2 2.95Å; H208-D211 PolarHBondContact N-OD2 3.18Å; H208-D211 IonicContact ND1-OD2 3.62Å; H208-D211 PolarHBondContact ND1-OD2 3.4Å; H208-D211 WeakPolarHBondContact O-CB 3.33Å; H208-D211 PolarHBondContact O-N 3.3Å; H208-V212 PolarHBondContact O-N 2.94Å
209W97.6Very high98Very high168 Ų16837.5 Ų37.564%0.63620%0.197SC*.Hα-helixtrans-60-30.3178.670.4-97.1000112.6V212 L213W209-V212 PolarHBondContact O-N 3.39Å; W209-L213 HydrophobicContact CE3-CD2 4.37Å; W209-L213 HydrophobicContact CZ3-CD2 3.84Å; W209-L213 WeakPolarHBondContact O-CB 3.21Å; W209-L213 PolarHBondContact O-N 2.67Å
210Q98.4Very high98.1Very high62 Ų6238 Ų3829%0.2920%0.199SC..Hα-helixtrans-66.9-40176.1-53.591.2-6.700111.6H208 V212 L213 V214H208-Q210 PolarHBondContact O-N 3Å; Q210-V212 PolarHBondContact O-N 2.56Å; Q210-L213 PolarHBondContact O-N 2.96Å; Q210-V214 WeakPolarHBondContact O-CB 3.29Å; Q210-V214 WeakPolarHBondContact O-CG2 2.99Å; Q210-V214 PolarHBondContact O-N 3.22Å
211D98.6Very high98.1Very high0 Ų041.1 Ų41.10%022%0.218CC..Hα-helixtrans-62.3-40.2178.8-46.5-31.1000109.7R112 S146 F147 S149 H207 H208 G215R112-D211 WeakPolarHBondContact CD-OD1 3.45Å; R112-D211 IonicContact CZ-OD1 2.76Å; R112-D211 IonicContact NE-OD1 3.28Å; R112-D211 IonicContact NH1-OD1 3.56Å; R112-D211 PolarHBondContact NH1-OD1 3.36Å; R112-D211 IonicContact NH1-OD2 3.93Å; S146-D211 PolarHBondContact OG-OD2 3.42Å; F147-D211 WeakPolarHBondContact CB-OD1 3.25Å; F147-D211 HydrophobicContact CD2-CB 4.35Å; F147-D211 VanDerWaalsContact CD2-OD1 3.25Å; F147-D211 WeakPolarHBondContact CD2-OD1 3.38Å; S149-D211 WeakPolarHBondContact CB-O 3.44Å; S149-D211 PolarHBondContact N-O 2.82Å; H207-D211 HydrophobicContact CB-CB 4.06Å; H207-D211 IonicContact ND1-OD2 3.6Å; H208-D211 WeakPolarHBondContact CB-OD2 3.4Å; H208-D211 IonicContact CG-OD2 2.95Å; H208-D211 PolarHBondContact N-OD2 3.18Å; H208-D211 IonicContact ND1-OD2 3.62Å; H208-D211 PolarHBondContact ND1-OD2 3.4Å; H208-D211 WeakPolarHBondContact O-CB 3.33Å; H208-D211 PolarHBondContact O-N 3.3Å; D211-G215 PolarHBondContact O-N 3.39Å
212V98.8Very high98.1Very high10 Ų1042 Ų426%0.06122%0.222CC..Hα-helixtrans-66.6-50.2175.7170.70000111.4A198 R201 T202 H207 H208 W209 Q210 G215 S216A198-V212 HydrophobicContact CB-CG1 3.86Å; R201-V212 HydrophobicContact CB-CG2 4.23Å; T202-V212 HydrophobicContact CG2-CG2 3.98Å; H207-V212 HydrophobicContact CB-CG2 4.03Å; H208-V212 PolarHBondContact O-N 2.94Å; W209-V212 PolarHBondContact O-N 3.39Å; Q210-V212 PolarHBondContact O-N 2.56Å; V212-G215 PolarHBondContact O-N 3.47Å; V212-S216 WeakPolarHBondContact O-CB 3.49Å; V212-S216 PolarHBondContact O-N 2.94Å; V212-S216 PolarHBondContact O-OG 2.93Å; V212-S216 VanDerWaalsContact O-OG 3.08Å
213L98.6Very high98.2Very high110 Ų11039.9 Ų39.958%0.57621%0.209SC*.Hα-helixtrans-60.2-49.2-178.7-179.864.2000111.9W209 Q210 S216 G217W209-L213 HydrophobicContact CE3-CD2 4.37Å; W209-L213 HydrophobicContact CZ3-CD2 3.84Å; W209-L213 WeakPolarHBondContact O-CB 3.21Å; W209-L213 PolarHBondContact O-N 2.67Å; Q210-L213 PolarHBondContact O-N 2.96Å; L213-S216 PolarHBondContact O-N 3.39Å; L213-G217 PolarHBondContact O-N 2.97Å
214V98.8Very high98.3Very high61 Ų6143 Ų4337%0.3721%0.211SC..Hα-helixtrans-67.5-40.8179.41760000110.8F147 P148 Q210 G217 L218F147-V214 HydrophobicContact CE1-CG1 4.45Å; F147-V214 HydrophobicContact CE2-CB 3.79Å; F147-V214 HydrophobicContact CE2-CG1 4.09Å; F147-V214 HydrophobicContact CE2-CG2 3.72Å; F147-V214 HydrophobicContact CZ-CB 3.92Å; F147-V214 HydrophobicContact CZ-CG1 3.68Å; F147-V214 HydrophobicContact CZ-CG2 3.87Å; P148-V214 HydrophobicContact CB-CB 4.47Å; P148-V214 HydrophobicContact CB-CG1 4.21Å; Q210-V214 WeakPolarHBondContact O-CB 3.29Å; Q210-V214 WeakPolarHBondContact O-CG2 2.99Å; Q210-V214 PolarHBondContact O-N 3.22Å; V214-G217 PolarHBondContact O-N 3.44Å; V214-L218 WeakPolarHBondContact O-CB 3.36Å; V214-L218 PolarHBondContact O-N 3.31Å
215G98.8Very high98.4Very high0 Ų047 Ų470%023%0.231CC..Hα-helixtrans-58.3-49.6174.300000112S153 D211 V212 G217 L218 G219S153-G215 WeakPolarHBondContact CA-O 3.34Å; S153-G215 WeakPolarHBondContact CB-O 3.45Å; D211-G215 PolarHBondContact O-N 3.39Å; V212-G215 PolarHBondContact O-N 3.47Å; G215-G217 PolarHBondContact O-N 2.77Å; G215-L218 PolarHBondContact O-N 3.27Å; G215-G219 PolarHBondContact O-N 2.92Å
216S98.8Very high98.4Very high12 Ų1243.6 Ų43.68%0.08422%0.219CC..Hα-helixtrans-58.7-44.1175.8-68.90000112.6F156 V212 L213 G219 L220F156-S216 WeakPolarHBondContact CD2-OG 3.2Å; F156-S216 WeakPolarHBondContact CE2-OG 3.28Å; V212-S216 WeakPolarHBondContact O-CB 3.49Å; V212-S216 PolarHBondContact O-N 2.94Å; V212-S216 PolarHBondContact O-OG 2.93Å; V212-S216 VanDerWaalsContact O-OG 3.08Å; L213-S216 PolarHBondContact O-N 3.39Å; S216-G219 PolarHBondContact O-N 3.43Å; S216-L220 WeakPolarHBondContact O-CG 3.38Å; S216-L220 PolarHBondContact O-N 3.33Å
217G98.8Very high98.5Very high33 Ų3343.2 Ų43.234%0.3422%0.217SC..Hα-helixtrans-60.8-47176.100000112.5L213 V214 G215 G219 L220 V221L213-G217 PolarHBondContact O-N 2.97Å; V214-G217 PolarHBondContact O-N 3.44Å; G215-G217 PolarHBondContact O-N 2.77Å; G217-G219 VanDerWaalsContact C-N 3.32Å; G217-G219 PolarHBondContact O-N 2.97Å; G217-L220 PolarHBondContact O-N 3.33Å; G217-V221 WeakPolarHBondContact O-CG2 3.27Å; G217-V221 PolarHBondContact O-N 3.33Å
218L98.6Very high98.4Very high30 Ų3047 Ų4716%0.15723%0.231CC..Hα-helixtrans-57.5-45.9177.1-168.468.6000111.3F102 T103 I106 P148 V214 G215 L220 V221 F222F102-L218 HydrophobicContact CB-CD2 4.46Å; T103-L218 WeakPolarHBondContact OG1-CD2 3.37Å; I106-L218 HydrophobicContact CD1-CD2 4.19Å; P148-L218 HydrophobicContact CG-CD2 4.49Å; V214-L218 WeakPolarHBondContact O-CB 3.36Å; V214-L218 PolarHBondContact O-N 3.31Å; G215-L218 PolarHBondContact O-N 3.27Å; L218-L220 PolarHBondContact O-N 3.33Å; L218-V221 PolarHBondContact O-N 3.28Å; L218-F222 HydrophobicContact CD1-CD2 4.18Å; L218-F222 HydrophobicContact CD1-CE2 3.64Å; L218-F222 HydrophobicContact CG-CD2 4.04Å; L218-F222 HydrophobicContact CG-CE2 3.88Å; L218-F222 WeakPolarHBondContact O-CD2 3.28Å; L218-F222 PolarHBondContact O-N 3.47Å
219G98.8Very high98.3Very high0 Ų052.9 Ų52.90%026%0.259CS..Hα-helixtrans-63.8-41.8178.600000113.4S153 T157 G215 S216 G217 S223S153-G219 WeakPolarHBondContact O-CA 3.5Å; T157-G219 WeakPolarHBondContact CA-O 3.39Å; T157-G219 WeakPolarHBondContact OG1-CA 3.49Å; G215-G219 PolarHBondContact O-N 2.92Å; S216-G219 PolarHBondContact O-N 3.43Å; G217-G219 VanDerWaalsContact C-N 3.32Å; G217-G219 PolarHBondContact O-N 2.97Å; G219-S223 WeakPolarHBondContact O-CB 3.25Å; G219-S223 PolarHBondContact O-N 2.89Å
220L98.8Very high98.2Very high73 Ų7345.7 Ų45.738%0.38223%0.232SC..Hα-helixtrans-63.7-39.6174.4-75.8174.3000112.4F156 L191 S216 G217 L218 W224F156-L220 HydrophobicContact CB-CG 4.36Å; F156-L220 HydrophobicContact CD1-CD1 3.95Å; F156-L220 HydrophobicContact CD1-CD2 3.84Å; F156-L220 HydrophobicContact CD1-CG 3.67Å; F156-L220 HydrophobicContact CE1-CD1 4.27Å; F156-L220 HydrophobicContact CE1-CG 4.46Å; F156-L220 HydrophobicContact CG-CG 4.42Å; L191-L220 HydrophobicContact CD2-CD2 4.11Å; S216-L220 WeakPolarHBondContact O-CG 3.38Å; S216-L220 PolarHBondContact O-N 3.33Å; G217-L220 PolarHBondContact O-N 3.33Å; L218-L220 PolarHBondContact O-N 3.33Å; L220-W224 VanDerWaalsContact O-CB 3.26Å; L220-W224 WeakPolarHBondContact O-CB 3.41Å; L220-W224 PolarHBondContact O-N 3.42Å
221V98.8Very high98Very high75 Ų7542.8 Ų42.846%0.45522%0.219SC..Hα-helixtrans-62.5-50.3178167.50000110.7G217 L218 W224 L225G217-V221 WeakPolarHBondContact O-CG2 3.27Å; G217-V221 PolarHBondContact O-N 3.33Å; L218-V221 PolarHBondContact O-N 3.28Å; V221-W224 PolarHBondContact O-N 2.86Å; V221-L225 HydrophobicContact CG1-CD1 3.82Å; V221-L225 HydrophobicContact CG1-CG 4.34Å; V221-L225 WeakPolarHBondContact O-CB 3.42Å; V221-L225 WeakPolarHBondContact O-CG 3.45Å; V221-L225 PolarHBondContact O-N 2.95Å
222F98.6Very high97.8Very high20 Ų2043 Ų439%0.08822%0.22CC..Hα-helixtrans-67.6-39179.1-78.7-65.1000112.7L98 N99 F102 L218 W224 L225 C226L98-F222 HydrophobicContact CB-CD1 3.94Å; L98-F222 HydrophobicContact CB-CE1 4.06Å; N99-F222 HydrophobicContact CB-CB 4.2Å; N99-F222 HydrophobicContact CB-CD2 3.95Å; N99-F222 HydrophobicContact CB-CG 4.27Å; F102-F222 HydrophobicContact CB-CE2 3.74Å; F102-F222 HydrophobicContact CB-CZ 3.88Å; F102-F222 HydrophobicContact CD1-CE2 4.43Å; F102-F222 AromaticContact CD1-CZ 3.92Å; F102-F222 HydrophobicContact CD1-CZ 3.92Å; F102-F222 HydrophobicContact CD2-CE1 4.17Å; F102-F222 HydrophobicContact CD2-CE2 4.19Å; F102-F222 AromaticContact CD2-CZ 3.47Å; F102-F222 HydrophobicContact CD2-CZ 3.47Å; F102-F222 VanDerWaalsContact CD2-CZ 3.47Å; F102-F222 HydrophobicContact CE1-CZ 4.31Å; F102-F222 HydrophobicContact CE2-CE1 4.3Å; F102-F222 AromaticContact CE2-CZ 3.9Å; F102-F222 HydrophobicContact CE2-CZ 3.9Å; F102-F222 AromaticContact CG-CE2 3.87Å; F102-F222 HydrophobicContact CG-CE2 3.87Å; F102-F222 AromaticContact CG-CZ 3.47Å; F102-F222 HydrophobicContact CG-CZ 3.47Å; F102-F222 VanDerWaalsContact CG-CZ 3.47Å; F102-F222 HydrophobicContact CZ-CZ 4.29Å; L218-F222 HydrophobicContact CD1-CD2 4.18Å; L218-F222 HydrophobicContact CD1-CE2 3.64Å; L218-F222 HydrophobicContact CG-CD2 4.04Å; L218-F222 HydrophobicContact CG-CE2 3.88Å; L218-F222 WeakPolarHBondContact O-CD2 3.28Å; L218-F222 PolarHBondContact O-N 3.47Å; F222-W224 VanDerWaalsContact C-N 3.32Å; F222-W224 PolarHBondContact O-N 3.29Å; F222-L225 PolarHBondContact O-N 3.3Å; F222-C226 WeakPolarHBondContact O-CB 3.47Å; F222-C226 PolarHBondContact O-N 3.27Å; F222-C226 PolarHBondContact O-SG 3.12Å
223S98.6Very high97.7Very high1 Ų144.7 Ų44.71%0.00723%0.232CC..Hα-helixtrans-54.5-49.4170.7175.60000111.7G160 F161 G219 Y227G160-S223 PolarHBondContact O-OG 2.86Å; F161-S223 WeakPolarHBondContact CA-OG 3.22Å; F161-S223 PolarHBondContact N-OG 2.93Å; G219-S223 WeakPolarHBondContact O-CB 3.25Å; G219-S223 PolarHBondContact O-N 2.89Å; S223-Y227 WeakPolarHBondContact O-CB 3.43Å; S223-Y227 PolarHBondContact O-N 3.34Å
224W98.6Very high97.5Very high138 Ų13840.5 Ų40.552%0.52321%0.21SC..Hα-helixtrans-66-48179.8176.785.1000112.5L164 L220 V221 F222 C226 Y227 R228L164-W224 HydrophobicContact CD1-CB 4.27Å; L220-W224 VanDerWaalsContact O-CB 3.26Å; L220-W224 WeakPolarHBondContact O-CB 3.41Å; L220-W224 PolarHBondContact O-N 3.42Å; V221-W224 PolarHBondContact O-N 2.86Å; F222-W224 VanDerWaalsContact C-N 3.32Å; F222-W224 PolarHBondContact O-N 3.29Å; W224-C226 PolarHBondContact O-N 3.23Å; W224-Y227 PolarHBondContact O-N 2.87Å; W224-R228 HydrophobicContact CD2-CG 4.05Å; W224-R228 HydrophobicContact CG-CG 4.3Å; W224-R228 HydrophobicContact CZ2-CG 4.01Å; W224-R228 WeakPolarHBondContact O-CB 3.34Å; W224-R228 WeakPolarHBondContact O-CG 3.37Å; W224-R228 PolarHBondContact O-N 2.86Å
225L98.4Very high97.2Very high83 Ų8344.5 Ų44.544%0.43523%0.225SC..Hα-helixtrans-58.3-51.2179.6-74.9172.3000111.3V221 F222 R228 Q229V221-L225 HydrophobicContact CG1-CD1 3.82Å; V221-L225 HydrophobicContact CG1-CG 4.34Å; V221-L225 WeakPolarHBondContact O-CB 3.42Å; V221-L225 WeakPolarHBondContact O-CG 3.45Å; V221-L225 PolarHBondContact O-N 2.95Å; F222-L225 PolarHBondContact O-N 3.3Å; L225-R228 PolarHBondContact O-N 3.2Å; L225-Q229 PolarHBondContact O-N 3.02Å
226C98Very high96.9Very high6 Ų646.5 Ų46.54%0.04124%0.236CC..Hα-helixtrans-69.5-34.6-179.5-670000112.2A91 A95 F222 W224 H230A91-C226 WeakPolarHBondContact O-CB 3.35Å; A95-C226 VanDerWaalsContact CA-SG 3.59Å; A95-C226 HydrophobicContact CB-CB 3.74Å; F222-C226 WeakPolarHBondContact O-CB 3.47Å; F222-C226 PolarHBondContact O-N 3.27Å; F222-C226 PolarHBondContact O-SG 3.12Å; W224-C226 PolarHBondContact O-N 3.23Å; C226-H230 PolarHBondContact O-CD2 2.81Å
227Y98.1Very high96.5Very high3 Ų350 Ų501%0.01226%0.258CS..Hα-helixtrans-60.2-49169.8177.9-95.3000110.7F161 L164 S223 W224 Q229 H230 Y231 P232 L234F161-Y227 HydrophobicContact CD2-CD2 4.48Å; F161-Y227 HydrophobicContact CE2-CD2 4.05Å; L164-Y227 HydrophobicContact CB-CD1 4.15Å; L164-Y227 HydrophobicContact CB-CD2 3.72Å; L164-Y227 HydrophobicContact CB-CE1 4.39Å; L164-Y227 HydrophobicContact CB-CE2 4Å; L164-Y227 HydrophobicContact CB-CG 3.82Å; L164-Y227 HydrophobicContact CD1-CD1 4.22Å; L164-Y227 HydrophobicContact CD1-CG 3.93Å; L164-Y227 HydrophobicContact CG-CG 4.47Å; S223-Y227 WeakPolarHBondContact O-CB 3.43Å; S223-Y227 PolarHBondContact O-N 3.34Å; W224-Y227 PolarHBondContact O-N 2.87Å; Y227-Q229 VanDerWaalsContact C-N 3.28Å; Y227-Q229 PolarHBondContact O-N 2.92Å; Y227-H230 PolarHBondContact O-N 3.39Å; Y227-H230 VanDerWaalsContact O-N 3.09Å; Y227-Y231 AromaticContact CD2-CD2 3.95Å; Y227-Y231 HydrophobicContact CD2-CD2 3.95Å; Y227-Y231 HydrophobicContact CD2-CG 4.18Å; Y227-Y231 HydrophobicContact CE2-CD1 4.38Å; Y227-Y231 AromaticContact CE2-CD2 3.85Å; Y227-Y231 HydrophobicContact CE2-CD2 3.85Å; Y227-Y231 AromaticContact CE2-CG 3.68Å; Y227-Y231 HydrophobicContact CE2-CG 3.68Å; Y227-Y231 AromaticContact CZ-CG 3.93Å; Y227-Y231 WeakPolarHBondContact O-CA 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.47Å; Y227-Y231 PolarHBondContact O-N 2.71Å; Y227-P232 WeakPolarHBondContact CE1-O 3.24Å; Y227-L234 HydrophobicContact CE1-CD2 3.92Å; Y227-L234 VanDerWaalsContact OH-CD2 3.32Å; Y227-L234 WeakPolarHBondContact OH-CD2 3.21Å
228R96.8Very high96.1Very high84 Ų8451.1 Ų51.132%0.31726%0.256SS..Hα-helixtrans-67.7-26-177.3-68.2-64.3-70.1110.5-0.3113.9W224 L225 H230 Y231 P232 S233W224-R228 HydrophobicContact CD2-CG 4.05Å; W224-R228 HydrophobicContact CG-CG 4.3Å; W224-R228 HydrophobicContact CZ2-CG 4.01Å; W224-R228 WeakPolarHBondContact O-CB 3.34Å; W224-R228 WeakPolarHBondContact O-CG 3.37Å; W224-R228 PolarHBondContact O-N 2.86Å; L225-R228 PolarHBondContact O-N 3.2Å; R228-H230 VanDerWaalsContact C-N 3.26Å; R228-H230 PolarHBondContact O-N 3.11Å; R228-Y231 CarbonylContact C-O 3.6Å; R228-Y231 WeakPolarHBondContact CA-O 3.24Å; R228-Y231 PolarHBondContact NH1-O 3.06Å; R228-Y231 VanDerWaalsContact O-O 3.08Å; R228-P232 PolarHBondContact NH1-O 3.35Å; R228-S233 VanDerWaalsContact CZ-N 3.33Å; R228-S233 VanDerWaalsContact NH1-N 3.12Å
229Q95.1Very high95.8Very high142 Ų14249.7 Ų49.766%0.66425%0.249SC*.Hα-helixtrans-63-32.6171.9-174.866.91200112.3L225 Y227L225-Q229 PolarHBondContact O-N 3.02Å; Y227-Q229 VanDerWaalsContact C-N 3.28Å; Y227-Q229 PolarHBondContact O-N 2.92Å
230H94.8Very high95.4Very high17 Ų1750.7 Ų50.78%0.07925%0.253CS..Hα-helixtrans-109.6-23.7-176.2-71.1-90.1000113.9E87 A91 C226 Y227 R228 P242 L243E87-H230 IonicContact OE2-CE1 3.18Å; E87-H230 PolarHBondContact OE2-CE1 2.63Å; E87-H230 IonicContact OE2-CG 3.27Å; E87-H230 IonicContact OE2-ND1 2.7Å; E87-H230 PolarHBondContact OE2-ND1 2.92Å; A91-H230 HydrophobicContact CB-CB 4.05Å; A91-H230 VanDerWaalsContact CB-CD2 3.45Å; A91-H230 WeakPolarHBondContact CB-CD2 3.37Å; C226-H230 PolarHBondContact O-CD2 2.81Å; Y227-H230 PolarHBondContact O-N 3.39Å; Y227-H230 VanDerWaalsContact O-N 3.09Å; R228-H230 VanDerWaalsContact C-N 3.26Å; R228-H230 PolarHBondContact O-N 3.11Å; H230-P242 CarbonylContact O-C 3.52Å; H230-P242 WeakPolarHBondContact O-CA 3.37Å; H230-L243 PolarHBondContact O-N 2.73Å
231Y95.3Very high95.1Very high1 Ų151.4 Ų51.40%0.00425%0.251CS..SBendtrans-129.5153.3-173.4-71.3-87.9000112.3D84 A88 Y227 R228 P242D84-Y231 PolarHBondContact O-OH 3.38Å; D84-Y231 VanDerWaalsContact OD1-CE1 3.28Å; D84-Y231 WeakPolarHBondContact OD1-CE1 3.23Å; D84-Y231 PolarHBondContact OD1-OH 3.43Å; A88-Y231 HydrophobicContact CB-CE2 4.33Å; A88-Y231 WeakPolarHBondContact CB-OH 3.28Å; A88-Y231 PolarHBondContact N-OH 3.45Å; Y227-Y231 AromaticContact CD2-CD2 3.95Å; Y227-Y231 HydrophobicContact CD2-CD2 3.95Å; Y227-Y231 HydrophobicContact CD2-CG 4.18Å; Y227-Y231 HydrophobicContact CE2-CD1 4.38Å; Y227-Y231 AromaticContact CE2-CD2 3.85Å; Y227-Y231 HydrophobicContact CE2-CD2 3.85Å; Y227-Y231 AromaticContact CE2-CG 3.68Å; Y227-Y231 HydrophobicContact CE2-CG 3.68Å; Y227-Y231 AromaticContact CZ-CG 3.93Å; Y227-Y231 WeakPolarHBondContact O-CA 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.47Å; Y227-Y231 PolarHBondContact O-N 2.71Å; R228-Y231 CarbonylContact C-O 3.6Å; R228-Y231 WeakPolarHBondContact CA-O 3.24Å; R228-Y231 PolarHBondContact NH1-O 3.06Å; R228-Y231 VanDerWaalsContact O-O 3.08Å; Y231-P242 HydrophobicContact CE1-CB 4.25Å; Y231-P242 HydrophobicContact CE1-CG 3.87Å
232P94.8Very high94.8Very high3 Ų347.9 Ų47.92%0.01923%0.229CC..  trans-67.6176175.6-7.822.8000112.9Y227 R228 D236 R241 L243Y227-P232 WeakPolarHBondContact CE1-O 3.24Å; R228-P232 PolarHBondContact NH1-O 3.35Å; P232-D236 HydrophobicContact CB-CB 3.74Å; P232-R241 WeakPolarHBondContact CD-O 3.37Å; P232-R241 WeakPolarHBondContact CG-O 3.32Å; P232-L243 HydrophobicContact CB-CD2 4.33Å; P232-L243 HydrophobicContact CG-CD2 4.03Å
233S95.3Very high94.3Very high46 Ų4649.4 Ų49.432%0.32224%0.238SC..  trans-62.7149.6168.5176.90000110R228 Q235 D236 C239R228-S233 VanDerWaalsContact CZ-N 3.33Å; R228-S233 VanDerWaalsContact NH1-N 3.12Å; S233-Q235 PolarHBondContact O-N 2.87Å; S233-Q235 VanDerWaalsContact O-N 3.13Å; S233-Q235 PolarHBondContact OG-N 2.8Å; S233-D236 WeakPolarHBondContact O-CB 3.09Å; S233-D236 PolarHBondContact O-N 2.87Å; S233-C239 WeakPolarHBondContact O-CB 3.41Å
234L94.6Very high93.5Very high23 Ų2354.8 Ų54.812%0.1226%0.258CS..THydrogen-bonded Turntrans-64.1-18.3177.9-61.6-175.5000114L164 F173 F187 Y227L164-L234 HydrophobicContact CD2-CD1 3.92Å; L164-L234 WeakPolarHBondContact O-CD2 3.46Å; F173-L234 HydrophobicContact CB-CB 4.3Å; F173-L234 HydrophobicContact CD2-CB 3.94Å; F173-L234 HydrophobicContact CD2-CD1 3.76Å; F173-L234 HydrophobicContact CD2-CG 4.5Å; F173-L234 HydrophobicContact CE2-CD1 3.93Å; F187-L234 HydrophobicContact CE2-CD1 4.03Å; Y227-L234 HydrophobicContact CE1-CD2 3.92Å; Y227-L234 VanDerWaalsContact OH-CD2 3.32Å; Y227-L234 WeakPolarHBondContact OH-CD2 3.21Å
235Q93.5Very high92.1Very high144 Ų14450.8 Ų50.867%0.67325%0.245SC*.THydrogen-bonded Turntrans-85.2-13.2176-61.6178.914.800112.6F173 S233F173-Q235 HydrophobicContact CB-CG 4.4Å; S233-Q235 PolarHBondContact O-N 2.87Å; S233-Q235 VanDerWaalsContact O-N 3.13Å; S233-Q235 PolarHBondContact OG-N 2.8Å
236D92.4Very high90.7Very high43 Ų4349.8 Ų49.823%0.2324%0.236CC..SBendtrans-65.8138.3-178.8-171.5-58.6000110.7P232 S233 D238 C239 R246P232-D236 HydrophobicContact CB-CB 3.74Å; S233-D236 WeakPolarHBondContact O-CB 3.09Å; S233-D236 PolarHBondContact O-N 2.87Å; D236-D238 PolarHBondContact O-N 3.23Å; D236-D238 VanDerWaalsContact O-N 3.09Å; D236-D238 PolarHBondContact OD1-N 3.35Å; D236-C239 HydrophobicContact CB-CB 4.35Å; D236-C239 VanDerWaalsContact O-CB 3.29Å; D236-C239 WeakPolarHBondContact O-CB 3.31Å; D236-C239 PolarHBondContact O-N 3.3Å; D236-C239 PolarHBondContact O-SG 3.33Å; D236-R246 IonicContact OD1-CZ 3.52Å; D236-R246 IonicContact OD1-NH1 3.28Å; D236-R246 PolarHBondContact OD1-NH1 3.45Å; D236-R246 IonicContact OD1-NH2 3.34Å; D236-R246 PolarHBondContact OD1-NH2 2.82Å; D236-R246 IonicContact OD2-CZ 3.39Å; D236-R246 IonicContact OD2-NH1 2.78Å; D236-R246 PolarHBondContact OD2-NH1 3.17Å; D236-R246 IonicContact OD2-NH2 2.67Å; D236-R246 PolarHBondContact OD2-NH2 3.21Å
237P89.8Confident88.9Confident84 Ų8456.3 Ų56.355%0.54527%0.266SS..THydrogen-bonded Turntrans-47.1-38.4175.4-31.136.7000114N174N174-P237 VanDerWaalsContact ND2-CA 3.27Å; N174-P237 WeakPolarHBondContact ND2-CA 3.07Å; N174-P237 PolarHBondContact ND2-O 2.72Å
238D90.5Very high86.9Confident57 Ų5760 Ų6031%0.30529%0.289SS..THydrogen-bonded Turntrans-10825.7-174.6-81.7-46000111.8D236 H240 R241 R246D236-D238 PolarHBondContact O-N 3.23Å; D236-D238 VanDerWaalsContact O-N 3.09Å; D236-D238 PolarHBondContact OD1-N 3.35Å; D238-H240 PolarHBondContact O-N 3.06Å; D238-H240 IonicContact OD1-CE1 2.56Å; D238-H240 PolarHBondContact OD1-CE1 3.46Å; D238-R241 PolarHBondContact O-N 2.8Å; D238-R241 IonicContact OD1-CZ 3.22Å; D238-R241 IonicContact OD1-NE 3.82Å; D238-R241 IonicContact OD1-NH1 3.74Å; D238-R241 PolarHBondContact OD1-NH1 3.08Å; D238-R246 VanDerWaalsContact CA-NH2 3.28Å; D238-R246 PolarHBondContact O-NH2 3.17Å
239C91.9Very high85Confident0 Ų060.2 Ų60.20%030%0.299CS..THydrogen-bonded Turntrans-54.3-20.8-179.455.90000115.4S233 D236 R241S233-C239 WeakPolarHBondContact O-CB 3.41Å; D236-C239 HydrophobicContact CB-CB 4.35Å; D236-C239 VanDerWaalsContact O-CB 3.29Å; D236-C239 WeakPolarHBondContact O-CB 3.31Å; D236-C239 PolarHBondContact O-N 3.3Å; D236-C239 PolarHBondContact O-SG 3.33Å; C239-R241 VanDerWaalsContact C-N 3.28Å; C239-R241 PolarHBondContact O-N 3.39Å
240H91.8Very high83.2Confident21 Ų2156.5 Ų56.510%0.09729%0.287CS..THydrogen-bonded Turntrans-76.9-9.817766.4-67.3000113.9G168 K169 R171 D238G168-H240 WeakPolarHBondContact O-CA 3.46Å; G168-H240 WeakPolarHBondContact O-CB 3.25Å; K169-H240 PolarHBondContact NZ-O 3.46Å; R171-H240 HydrophobicContact CG-CB 4.32Å; R171-H240 PolarHBondContact NE-ND1 2.92Å; R171-H240 PolarHBondContact NH2-CE1 2.91Å; R171-H240 PolarHBondContact NH2-ND1 3.43Å; R171-H240 PolarHBondContact NH2-NE2 3.43Å; D238-H240 PolarHBondContact O-N 3.06Å; D238-H240 IonicContact OD1-CE1 2.56Å; D238-H240 PolarHBondContact OD1-CE1 3.46Å
241R91.6Very high81.3Confident89 Ų8957.8 Ų57.834%0.33630%0.301SS..SBendtrans-109.6138.9-174.9-59.4-177.8159.5164.6-15111.8E81 P232 D238 C239E81-R241 VanDerWaalsContact CD-NE 3.3Å; E81-R241 IonicContact OE1-CZ 3.39Å; E81-R241 IonicContact OE1-NE 2.68Å; E81-R241 PolarHBondContact OE1-NE 2.85Å; E81-R241 IonicContact OE1-NH2 3.41Å; E81-R241 PolarHBondContact OE1-NH2 3.05Å; E81-R241 WeakPolarHBondContact OE2-CD 3.34Å; E81-R241 VanDerWaalsContact OE2-CG 3.32Å; E81-R241 WeakPolarHBondContact OE2-CG 3.45Å; E81-R241 IonicContact OE2-NE 3.98Å; E81-R241 PolarHBondContact OE2-NE 3.38Å; P232-R241 WeakPolarHBondContact CD-O 3.37Å; P232-R241 WeakPolarHBondContact CG-O 3.32Å; D238-R241 PolarHBondContact O-N 2.8Å; D238-R241 IonicContact OD1-CZ 3.22Å; D238-R241 IonicContact OD1-NE 3.82Å; D238-R241 IonicContact OD1-NH1 3.74Å; D238-R241 PolarHBondContact OD1-NH1 3.08Å; C239-R241 VanDerWaalsContact C-N 3.28Å; C239-R241 PolarHBondContact O-N 3.39Å
242P92.5Very high79.5Confident0 Ų061.6 Ų61.60%032%0.324CS..  trans-62.4147.1170.8-18.329.2000112.9D84 E87 H230 Y231 R244 H245D84-P242 HydrophobicContact CB-CG 3.89Å; D84-P242 WeakPolarHBondContact OD1-CD 3.48Å; D84-P242 WeakPolarHBondContact OD1-CG 3.26Å; E87-P242 HydrophobicContact CB-CB 4Å; E87-P242 HydrophobicContact CB-CG 4.24Å; E87-P242 HydrophobicContact CG-CB 3.91Å; E87-P242 HydrophobicContact CG-CG 4.34Å; H230-P242 CarbonylContact O-C 3.52Å; H230-P242 WeakPolarHBondContact O-CA 3.37Å; Y231-P242 HydrophobicContact CE1-CB 4.25Å; Y231-P242 HydrophobicContact CE1-CG 3.87Å; P242-R244 PolarHBondContact O-N 3.36Å; P242-H245 PolarHBondContact O-N 3.16Å
243L88.9Confident77.8Confident52 Ų5267.1 Ų67.127%0.27235%0.35SS..Hα-helixtrans-61.9-40.5-179-71173.2000113H230 P232 H245 R246 E247H230-L243 PolarHBondContact O-N 2.73Å; P232-L243 HydrophobicContact CB-CD2 4.33Å; P232-L243 HydrophobicContact CG-CD2 4.03Å; L243-H245 PolarHBondContact O-N 2.81Å; L243-H245 VanDerWaalsContact O-N 3.08Å; L243-R246 WeakPolarHBondContact O-CA 3.32Å; L243-R246 VanDerWaalsContact O-CB 3.27Å; L243-R246 WeakPolarHBondContact O-CB 3.48Å; L243-R246 PolarHBondContact O-N 3.36Å; L243-E247 PolarHBondContact O-N 3.06Å
244R80.9Confident76.1Confident114 Ų11471.7 Ų71.743%0.4337%0.366SS..Hα-helixtrans-58.1-28179.9-168.3180-179.515510.2113.6E87 P242E87-R244 VanDerWaalsContact OE1-CD 3.29Å; E87-R244 WeakPolarHBondContact OE1-CD 3.16Å; E87-R244 IonicContact OE1-NH1 2.82Å; P242-R244 PolarHBondContact O-N 3.36Å
245H70.2Confident74.3Confident54 Ų5479.4 Ų79.425%0.2539%0.393CS..Hα-helixtrans-80-22.8175.5-74.367.4000112.3S82 P242 L243 E247 T248 V249S82-H245 PolarHBondContact O-CD2 3.05Å; S82-H245 PolarHBondContact O-CE1 3.36Å; S82-H245 PolarHBondContact O-NE2 2.95Å; P242-H245 PolarHBondContact O-N 3.16Å; L243-H245 PolarHBondContact O-N 2.81Å; L243-H245 VanDerWaalsContact O-N 3.08Å; H245-E247 VanDerWaalsContact C-N 3.35Å; H245-T248 PolarHBondContact O-OG1 2.97Å; H245-V249 WeakPolarHBondContact O-CG2 3.37Å
246R67.8Low72.6Confident63 Ų6379.5 Ų79.524%0.23839%0.392CS..Hα-helixtrans-77.7-15.4170.8-60.9-171.8-177.9-168.70.1113.7D236 D238 L243 P250D236-R246 IonicContact OD1-CZ 3.52Å; D236-R246 IonicContact OD1-NH1 3.28Å; D236-R246 PolarHBondContact OD1-NH1 3.45Å; D236-R246 IonicContact OD1-NH2 3.34Å; D236-R246 PolarHBondContact OD1-NH2 2.82Å; D236-R246 IonicContact OD2-CZ 3.39Å; D236-R246 IonicContact OD2-NH1 2.78Å; D236-R246 PolarHBondContact OD2-NH1 3.17Å; D236-R246 IonicContact OD2-NH2 2.67Å; D236-R246 PolarHBondContact OD2-NH2 3.21Å; D238-R246 VanDerWaalsContact CA-NH2 3.28Å; D238-R246 PolarHBondContact O-NH2 3.17Å; L243-R246 WeakPolarHBondContact O-CA 3.32Å; L243-R246 VanDerWaalsContact O-CB 3.27Å; L243-R246 WeakPolarHBondContact O-CB 3.48Å; L243-R246 PolarHBondContact O-N 3.36Å; R246-P250 WeakPolarHBondContact O-CD 3.25Å; R246-P250 WeakPolarHBondContact O-CG 3.37Å
247E59.8Low71Confident143 Ų14382.7 Ų82.767%0.66841%0.408SS*.Hα-helixtrans-84.6-29.8175.1-69.1176.9170.700111.3L243 H245L243-E247 PolarHBondContact O-N 3.06Å; H245-E247 VanDerWaalsContact C-N 3.35Å
248T57.3Low69.5Low80 Ų8081 Ų8149%0.49140%0.401SS..Hα-helixtrans-75.1-32.2179.653.90000112.8H245 V252H245-T248 PolarHBondContact O-OG1 2.97Å; T248-V252 WeakPolarHBondContact O-CB 3.37Å; T248-V252 WeakPolarHBondContact O-CG2 3.32Å; T248-V252 PolarHBondContact O-N 3.04Å
249V56.4Low68Low89 Ų8983.8 Ų83.854%0.53942%0.416SS..Hα-helixtrans-72.4-49.9-178.9176.20000113.1H245 A251 V252 Q253H245-V249 WeakPolarHBondContact O-CG2 3.37Å; V249-A251 PolarHBondContact O-N 3.4Å; V249-V252 PolarHBondContact O-N 2.04Å; V249-Q253 VanDerWaalsContact O-CB 3.27Å; V249-Q253 WeakPolarHBondContact O-CB 3.32Å; V249-Q253 PolarHBondContact O-N 2.82Å
250P57.1Low66.3Low63 Ų6387.8 Ų87.841%0.40944%0.444SS..Hα-helixtrans-60.7-45.3177.7-22.132.6000111.9R246 V252 Q253 E254R246-P250 WeakPolarHBondContact O-CD 3.25Å; R246-P250 WeakPolarHBondContact O-CG 3.37Å; P250-V252 VanDerWaalsContact C-N 3.3Å; P250-V252 PolarHBondContact O-N 2.89Å; P250-Q253 PolarHBondContact O-N 3.24Å; P250-E254 VanDerWaalsContact O-CB 3.28Å; P250-E254 WeakPolarHBondContact O-CB 3.29Å; P250-E254 WeakPolarHBondContact O-CG 3.03Å; P250-E254 PolarHBondContact O-N 3.32Å
251A55.7Low64.6Low45 Ų4593 Ų9337%0.37247%0.473SS..Hα-helixtrans-64.5-34-179.900000112.8V249 R255V249-A251 PolarHBondContact O-N 3.4Å; A251-R255 VanDerWaalsContact O-CB 3.26Å; A251-R255 WeakPolarHBondContact O-CB 3.25Å; A251-R255 WeakPolarHBondContact O-CG 3.3Å; A251-R255 PolarHBondContact O-N 3.42Å; A251-R255 VanDerWaalsContact O-N 3.08Å
252V57.2Low62.9Low80 Ų8098.4 Ų98.449%0.48549%0.494SS..Hα-helixtrans-76.6-38175172.80000111.2T248 V249 P250 K256T248-V252 WeakPolarHBondContact O-CB 3.37Å; T248-V252 WeakPolarHBondContact O-CG2 3.32Å; T248-V252 PolarHBondContact O-N 3.04Å; V249-V252 PolarHBondContact O-N 2.04Å; P250-V252 VanDerWaalsContact C-N 3.3Å; P250-V252 PolarHBondContact O-N 2.89Å; V252-K256 HydrophobicContact CG1-CD 4.42Å; V252-K256 WeakPolarHBondContact O-CB 3.11Å; V252-K256 WeakPolarHBondContact O-CG 3.39Å; V252-K256 PolarHBondContact O-N 3.44Å
253Q59.1Low61.3Low120 Ų120104.9 Ų104.956%0.56153%0.528SS*.Hα-helixtrans-67.2-45.4177.2-163.6103.6-10.400111.1V249 P250 K256 L257V249-Q253 VanDerWaalsContact O-CB 3.27Å; V249-Q253 WeakPolarHBondContact O-CB 3.32Å; V249-Q253 PolarHBondContact O-N 2.82Å; P250-Q253 PolarHBondContact O-N 3.24Å; Q253-K256 PolarHBondContact O-N 3.01Å; Q253-L257 WeakPolarHBondContact O-CB 3.27Å; Q253-L257 PolarHBondContact O-N 2.84Å
254E58.7Low59Low142 Ų142110.1 Ų110.166%0.66456%0.555SS**Hα-helixtrans-63.2-43.1174-76.2-178.3170.300111.5P250 K256 L257 A258P250-E254 VanDerWaalsContact O-CB 3.28Å; P250-E254 WeakPolarHBondContact O-CB 3.29Å; P250-E254 WeakPolarHBondContact O-CG 3.03Å; P250-E254 PolarHBondContact O-N 3.32Å; E254-K256 VanDerWaalsContact C-N 3.34Å; E254-K256 PolarHBondContact O-N 3.35Å; E254-L257 PolarHBondContact O-N 3.41Å; E254-A258 WeakPolarHBondContact O-CB 3.49Å; E254-A258 PolarHBondContact O-N 2.92Å
255R57.1Low57.7Low185 Ų185109.4 Ų109.470%0.69857%0.566SS**Hα-helixtrans-63.8-37.8173.1-80177.6-178.2-170.70.8112.6A251 N259A251-R255 VanDerWaalsContact O-CB 3.26Å; A251-R255 WeakPolarHBondContact O-CB 3.25Å; A251-R255 WeakPolarHBondContact O-CG 3.3Å; A251-R255 PolarHBondContact O-N 3.42Å; A251-R255 VanDerWaalsContact O-N 3.08Å; R255-N259 VanDerWaalsContact O-CB 3.27Å; R255-N259 WeakPolarHBondContact O-CB 3.25Å; R255-N259 VanDerWaalsContact O-CG 3.28Å; R255-N259 PolarHBondContact O-N 3.03Å
256K57.4Low56.3Low146 Ų146118.6 Ų118.664%0.63562%0.615SS**Hα-helixtrans-68-40.4174.5-82.2-176.2176.7-174.20111.6V252 Q253 E254 N259 S260V252-K256 HydrophobicContact CG1-CD 4.42Å; V252-K256 WeakPolarHBondContact O-CB 3.11Å; V252-K256 WeakPolarHBondContact O-CG 3.39Å; V252-K256 PolarHBondContact O-N 3.44Å; Q253-K256 PolarHBondContact O-N 3.01Å; E254-K256 VanDerWaalsContact C-N 3.34Å; E254-K256 PolarHBondContact O-N 3.35Å; K256-N259 PolarHBondContact O-N 3.24Å; K256-S260 WeakPolarHBondContact O-CB 3.5Å; K256-S260 PolarHBondContact O-N 3.44Å
257L58.9Low55.7Low109 Ų109121.4 Ų121.457%0.57163%0.634SS**Hα-helixtrans-66-44.9175.4-126.488.4000111Q253 E254 N259 S260 N261Q253-L257 WeakPolarHBondContact O-CB 3.27Å; Q253-L257 PolarHBondContact O-N 2.84Å; E254-L257 PolarHBondContact O-N 3.41Å; L257-N259 PolarHBondContact O-N 2.98Å; L257-S260 PolarHBondContact O-N 3.36Å; L257-N261 VanDerWaalsContact O-CG 3.28Å; L257-N261 PolarHBondContact O-N 3.06Å
258A59.6Low55.5Low49 Ų49120.2 Ų120.241%0.40563%0.632SS.*Hα-helixtrans-60-45.1175.700000111.2E254 Y262E254-A258 WeakPolarHBondContact O-CB 3.49Å; E254-A258 PolarHBondContact O-N 2.92Å; A258-Y262 WeakPolarHBondContact O-CD2 3.41Å
259N57.5Low55.4Low116 Ų116122.4 Ų122.462%0.6264%0.64SS**Hα-helixtrans-74.2-28.9177.6-74.4-3.4000113.6R255 K256 L257 N261 Y262R255-N259 VanDerWaalsContact O-CB 3.27Å; R255-N259 WeakPolarHBondContact O-CB 3.25Å; R255-N259 VanDerWaalsContact O-CG 3.28Å; R255-N259 PolarHBondContact O-N 3.03Å; K256-N259 PolarHBondContact O-N 3.24Å; L257-N259 PolarHBondContact O-N 2.98Å; N259-N261 VanDerWaalsContact C-N 3.34Å; N259-Y262 PolarHBondContact O-N 2.96Å
260S57.6Low55.4Low84 Ų84124.4 Ų124.459%0.58765%0.646SS**Hα-helixtrans-74.6-26.2176.7-166.40000112.4K256 L257 Y262K256-S260 WeakPolarHBondContact O-CB 3.5Å; K256-S260 PolarHBondContact O-N 3.44Å; L257-S260 PolarHBondContact O-N 3.36Å; S260-Y262 PolarHBondContact O-N 3.28Å
261N55.7Low55.3Low131 Ų131128.3 Ų128.370%0.70166%0.661SS**THydrogen-bonded Turntrans-75.6-0.8173.6-71.7-11.9000113.4L257 N259L257-N261 VanDerWaalsContact O-CG 3.28Å; L257-N261 PolarHBondContact O-N 3.06Å; N259-N261 VanDerWaalsContact C-N 3.34Å
262Y54.8Low55.2Low201 Ų201133.8 Ų133.879%0.78868%0.68SS**THydrogen-bonded Turntrans-95.310.1173.9-82.1-76.1000114.4A258 N259 S260A258-Y262 WeakPolarHBondContact O-CD2 3.41Å; N259-Y262 PolarHBondContact O-N 2.96Å; S260-Y262 PolarHBondContact O-N 3.28Å
263I59Low55.1Low136 Ų136137.6 Ų137.670%0.69769%0.694SS**  trans-130.489.9173.4-50.1178.7000109.1
264L40.5Very low54.8Low162 Ų162139 Ų13985%0.84870%0.704SS**  -161.4146.9111.5-94.2158.3000110.9
265P55.4Low54.5Low100 Ų100138.8 Ų138.865%0.64971%0.707SS**  trans-99.6163.3-159.139.6-35.4000113.6
266L40.1Very low54.2Low246 Ų246134.5 Ų134.5100%1.28871%0.708SS**  -143.80128.7-106.1154000108.2

Retrieved 266 of 266 residues in 869.2 ms (Link to these results)

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