A0A5K4FF38_SCHMA Loading...

DnaJ homolog subfamily C member 1

AlphaFold DB , UniProt , Accession A0A5K4FF38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 521 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
1M79.6Confident84.2Confident176 Ų176118.5 Ų118.587%0.86760%0.603SS**  0-59.30-66.2-60.4-86.600112.1I3 Y4 I5M1-I3 PolarHBondContact O-N 2.98Å; M1-Y4 WeakPolarHBondContact O-CB 3.36Å; M1-Y4 PolarHBondContact O-N 3.23Å; M1-Y4 VanDerWaalsContact O-N 3.11Å; M1-I5 WeakPolarHBondContact O-CG1 3.31Å; M1-I5 PolarHBondContact O-N 3.18Å
2I86.8Confident83.4Confident144 Ų144115.2 Ų115.274%0.73860%0.597SS**Hα-helixtrans-58.1-45.1-178.1-61.4167.5000112.6Y4 I5 F6I2-Y4 VanDerWaalsContact C-N 3.34Å; I2-Y4 PolarHBondContact O-N 2.91Å; I2-I5 PolarHBondContact O-N 3.04Å; I2-F6 WeakPolarHBondContact O-CB 3.24Å; I2-F6 PolarHBondContact O-N 3.48Å
3I87.9Confident82.6Confident132 Ų132118.4 Ų118.468%0.67761%0.608SS**Hα-helixtrans-61.3-41.7176.5-62168.8000111.4M1 F6 C7M1-I3 PolarHBondContact O-N 2.98Å; I3-F6 PolarHBondContact O-N 3.43Å; I3-C7 WeakPolarHBondContact O-CB 3.06Å; I3-C7 PolarHBondContact O-N 2.84Å; I3-C7 PolarHBondContact O-SG 3.04Å
4Y87.3Confident81.6Confident179 Ų179123 Ų12370%0.70262%0.621SS**Hα-helixtrans-64.1-43176.4-77.6-82.3000112M1 I2 F6 C7 L8M1-Y4 WeakPolarHBondContact O-CB 3.36Å; M1-Y4 PolarHBondContact O-N 3.23Å; M1-Y4 VanDerWaalsContact O-N 3.11Å; I2-Y4 VanDerWaalsContact C-N 3.34Å; I2-Y4 PolarHBondContact O-N 2.91Å; Y4-F6 VanDerWaalsContact C-N 3.31Å; Y4-F6 PolarHBondContact O-N 2.59Å; Y4-C7 PolarHBondContact O-N 3.04Å; Y4-L8 WeakPolarHBondContact O-CB 3.44Å; Y4-L8 PolarHBondContact O-N 2.72Å
5I87.8Confident81.1Confident111 Ų111121.7 Ų121.757%0.56962%0.622SS**Hα-helixtrans-62.1-42.1175.7-66.3167000110.2M1 I2 L8 A9M1-I5 WeakPolarHBondContact O-CG1 3.31Å; M1-I5 PolarHBondContact O-N 3.18Å; I2-I5 PolarHBondContact O-N 3.04Å; I5-L8 PolarHBondContact O-N 2.97Å; I5-A9 WeakPolarHBondContact O-CB 3.46Å; I5-A9 PolarHBondContact O-N 3.3Å
6F86.2Confident80.4Confident131 Ų131120.8 Ų120.858%0.57563%0.63SS**Hα-helixtrans-66.5-43.8177.5-169.6-103.5000112.2I2 I3 Y4 L8 A9 L10I2-F6 WeakPolarHBondContact O-CB 3.24Å; I2-F6 PolarHBondContact O-N 3.48Å; I3-F6 PolarHBondContact O-N 3.43Å; Y4-F6 VanDerWaalsContact C-N 3.31Å; Y4-F6 PolarHBondContact O-N 2.59Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.98Å; F6-A9 PolarHBondContact O-N 2.91Å; F6-L10 HydrophobicContact CD1-CD1 3.88Å; F6-L10 HydrophobicContact CD1-CG 4.31Å; F6-L10 HydrophobicContact CE1-CD1 3.56Å; F6-L10 HydrophobicContact CE1-CD2 4.44Å; F6-L10 HydrophobicContact CE1-CG 4.06Å; F6-L10 HydrophobicContact CZ-CD1 4.29Å; F6-L10 HydrophobicContact CZ-CD2 4.37Å; F6-L10 HydrophobicContact CZ-CG 4.4Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3Å
7C84.9Confident80Confident61 Ų61118.4 Ų118.441%0.41263%0.631SS.*Hα-helixtrans-59.7-41.9172.4-72.40000111.8I3 Y4 L10 L11I3-C7 WeakPolarHBondContact O-CB 3.06Å; I3-C7 PolarHBondContact O-N 2.84Å; I3-C7 PolarHBondContact O-SG 3.04Å; Y4-C7 PolarHBondContact O-N 3.04Å; C7-L10 PolarHBondContact O-N 3.18Å; C7-L11 WeakPolarHBondContact O-CB 3.38Å; C7-L11 WeakPolarHBondContact O-CD1 3.49Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 3.04Å
8L83.6Confident79.9Confident113 Ų113116.7 Ų116.759%0.59262%0.615SS**Hα-helixtrans-63.3-41175.6-125.7161.4000111.6Y4 I5 F6 L11 C12Y4-L8 WeakPolarHBondContact O-CB 3.44Å; Y4-L8 PolarHBondContact O-N 2.72Å; I5-L8 PolarHBondContact O-N 2.97Å; F6-L8 VanDerWaalsContact C-N 3.32Å; F6-L8 PolarHBondContact O-N 2.98Å; L8-L11 WeakPolarHBondContact O-CB 3.39Å; L8-L11 PolarHBondContact O-N 3.39Å; L8-C12 PolarHBondContact O-N 2.86Å; L8-C12 PolarHBondContact O-SG 2.94Å
9A82.3Confident80.2Confident53 Ų53115.5 Ų115.544%0.43861%0.609SS.*Hα-helixtrans-64.2-41.9175.600000112.2I5 F6 L11 C12 E13I5-A9 WeakPolarHBondContact O-CB 3.46Å; I5-A9 PolarHBondContact O-N 3.3Å; F6-A9 PolarHBondContact O-N 2.91Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 3.06Å; A9-C12 WeakPolarHBondContact O-CB 3.28Å; A9-C12 PolarHBondContact O-N 3.42Å; A9-C12 VanDerWaalsContact O-N 3.16Å; A9-E13 PolarHBondContact O-N 3.14Å
10L81.9Confident80.6Confident84 Ų84113.2 Ų113.244%0.4460%0.602SS.*Hα-helixtrans-65.7-35.3175.1-69.2178.2000112.5F6 C7 C12 E13F6-L10 HydrophobicContact CD1-CD1 3.88Å; F6-L10 HydrophobicContact CD1-CG 4.31Å; F6-L10 HydrophobicContact CE1-CD1 3.56Å; F6-L10 HydrophobicContact CE1-CD2 4.44Å; F6-L10 HydrophobicContact CE1-CG 4.06Å; F6-L10 HydrophobicContact CZ-CD1 4.29Å; F6-L10 HydrophobicContact CZ-CD2 4.37Å; F6-L10 HydrophobicContact CZ-CG 4.4Å; F6-L10 WeakPolarHBondContact O-CG 3.47Å; F6-L10 PolarHBondContact O-N 3Å; C7-L10 PolarHBondContact O-N 3.18Å; L10-C12 VanDerWaalsContact C-N 3.31Å; L10-E13 PolarHBondContact O-N 3.32Å
11L77.9Confident81Confident120 Ų120108.5 Ų108.563%0.62858%0.582SS**Hα-helixtrans-64.9-34.6172.5-80.8152.6000111.7C7 L8 A9 E13 K14C7-L11 WeakPolarHBondContact O-CB 3.38Å; C7-L11 WeakPolarHBondContact O-CD1 3.49Å; C7-L11 WeakPolarHBondContact O-CG 3.37Å; C7-L11 PolarHBondContact O-N 3.04Å; L8-L11 WeakPolarHBondContact O-CB 3.39Å; L8-L11 PolarHBondContact O-N 3.39Å; A9-L11 VanDerWaalsContact C-N 3.33Å; A9-L11 PolarHBondContact O-N 3.06Å; L11-E13 VanDerWaalsContact C-N 3.35Å; L11-E13 PolarHBondContact O-N 3.08Å; L11-K14 PolarHBondContact O-N 2.96Å
12C74.7Confident81.6Confident78 Ų78101 Ų10153%0.52754%0.544SS..Hα-helixtrans-64.6-32.8178.4-740000113.6L8 A9 L10 K14 V15L8-C12 PolarHBondContact O-N 2.86Å; L8-C12 PolarHBondContact O-SG 2.94Å; A9-C12 WeakPolarHBondContact O-CB 3.28Å; A9-C12 PolarHBondContact O-N 3.42Å; A9-C12 VanDerWaalsContact O-N 3.16Å; L10-C12 VanDerWaalsContact C-N 3.31Å; C12-K14 PolarHBondContact O-N 3.38Å; C12-V15 PolarHBondContact O-N 3.37Å
13E73.1Confident81.8Confident157 Ų15795 Ų9573%0.73451%0.514SS*.THydrogen-bonded Turntrans-63.5-21177.7-74.1-174.9176.600113.3A9 L10 L11A9-E13 PolarHBondContact O-N 3.14Å; L10-E13 PolarHBondContact O-N 3.32Å; L11-E13 VanDerWaalsContact C-N 3.35Å; L11-E13 PolarHBondContact O-N 3.08Å
14K68.4Low82Confident183 Ų18393.8 Ų93.880%0.79651%0.505SS*.THydrogen-bonded Turntrans-92.2-5.1-179.5-59.9-59.6-178.1-174.20113.7L11 C12L11-K14 PolarHBondContact O-N 2.96Å; C12-K14 PolarHBondContact O-N 3.38Å
15V74.1Confident82.4Confident104 Ų10485.3 Ų85.363%0.6347%0.472SS*.SBendtrans-80.6124.2178.4-178.20000108.5C12 A17C12-V15 PolarHBondContact O-N 3.37Å; V15-A17 PolarHBondContact O-N 3.17Å
16S69.5Low82.7Confident107 Ų10780.8 Ų80.875%0.74845%0.448SS*.  trans-5997.7171.6-173.90000109.2
17A73.9Confident83Confident80 Ų8075.9 Ų75.966%0.66143%0.428SS*.PPolyproline II helixtrans-68.7152.1167.600000109.3V15V15-A17 PolarHBondContact O-N 3.17Å
18W78.7Confident83.4Confident87 Ų8773.9 Ų73.933%0.3341%0.413SS..PPolyproline II helixtrans-72.4136.2172.5-52.2-36.7000110.4L23 P110 V111 F114W18-L23 HydrophobicContact CE3-CD2 4.25Å; W18-P110 HydrophobicContact CH2-CB 3.68Å; W18-P110 HydrophobicContact CH2-CG 3.68Å; W18-P110 HydrophobicContact CZ2-CB 4.32Å; W18-P110 HydrophobicContact CZ2-CG 3.8Å; W18-V111 HydrophobicContact CD2-CB 4.36Å; W18-V111 HydrophobicContact CD2-CG1 4.37Å; W18-V111 HydrophobicContact CD2-CG2 3.64Å; W18-V111 HydrophobicContact CE3-CB 3.98Å; W18-V111 HydrophobicContact CE3-CG1 3.93Å; W18-V111 HydrophobicContact CE3-CG2 3.76Å; W18-V111 HydrophobicContact CH2-CB 3.79Å; W18-V111 HydrophobicContact CH2-CG2 3.39Å; W18-V111 HydrophobicContact CZ2-CB 4.05Å; W18-V111 HydrophobicContact CZ2-CG2 3.12Å; W18-V111 HydrophobicContact CZ3-CB 3.75Å; W18-V111 HydrophobicContact CZ3-CG1 4.14Å; W18-V111 HydrophobicContact CZ3-CG2 3.7Å; W18-V111 VanDerWaalsContact CZ3-N 3.33Å; W18-F114 HydrophobicContact CE3-CD2 4.44Å; W18-F114 AromaticContact CH2-CD2 3.76Å; W18-F114 HydrophobicContact CH2-CD2 3.76Å; W18-F114 HydrophobicContact CH2-CE2 4.19Å; W18-F114 HydrophobicContact CZ3-CB 3.96Å; W18-F114 AromaticContact CZ3-CD2 3.34Å; W18-F114 HydrophobicContact CZ3-CD2 3.34Å; W18-F114 HydrophobicContact CZ3-CE2 4.09Å; W18-F114 AromaticContact CZ3-CG 3.93Å; W18-F114 HydrophobicContact CZ3-CG 3.93Å
19D85Confident84Confident94 Ų9469.3 Ų69.350%0.50339%0.39SS..PPolyproline II helixtrans-75.3154.7178.6-174.945.9000112G21 E22 L23D19-G21 PolarHBondContact O-N 3.23Å; D19-G21 PolarHBondContact OD2-N 3.29Å; D19-E22 HydrophobicContact CB-CG 4.27Å; D19-E22 PolarHBondContact N-OE1 3.32Å; D19-E22 PolarHBondContact O-N 3.19Å; D19-L23 PolarHBondContact O-N 3.43Å
20S88.2Confident84.4Confident69 Ų6971.1 Ų71.148%0.48339%0.389SS..Hα-helixtrans-57.8-35.7172.7-172.60000111.4L23 Q24S20-L23 PolarHBondContact O-N 3.24Å; S20-Q24 VanDerWaalsContact O-CG 3.28Å; S20-Q24 WeakPolarHBondContact O-CG 3.28Å; S20-Q24 PolarHBondContact O-N 3.15Å; S20-Q24 PolarHBondContact OG-NE2 3.2Å
21G90Very high84.9Confident16 Ų1670.9 Ų70.917%0.16539%0.386CS..Hα-helixtrans-63.1-39.3176.900000113.4D19 Q24 M25D19-G21 PolarHBondContact O-N 3.23Å; D19-G21 PolarHBondContact OD2-N 3.29Å; G21-Q24 PolarHBondContact O-N 3.44Å; G21-M25 WeakPolarHBondContact O-CB 3.46Å; G21-M25 PolarHBondContact O-N 3.23Å
22E91.5Very high85.6Confident17 Ų1765.8 Ų65.88%0.07936%0.36CS..Hα-helixtrans-65.8-42.7176.9-63.4174.2-137.600111.7D19 M25 F26 L92 K95D19-E22 HydrophobicContact CB-CG 4.27Å; D19-E22 PolarHBondContact N-OE1 3.32Å; D19-E22 PolarHBondContact O-N 3.19Å; E22-M25 WeakPolarHBondContact O-CB 3.24Å; E22-M25 PolarHBondContact O-N 3.38Å; E22-F26 HydrophobicContact CB-CE2 4.15Å; E22-F26 WeakPolarHBondContact O-CD2 3.44Å; E22-F26 WeakPolarHBondContact O-CG 3.44Å; E22-F26 PolarHBondContact O-N 3.39Å; E22-L92 HydrophobicContact CG-CD2 4.01Å; E22-K95 HydrophobicContact CG-CD 3.57Å; E22-K95 IonicContact OE1-NZ 2.62Å; E22-K95 PolarHBondContact OE1-NZ 3.18Å; E22-K95 IonicContact OE2-NZ 3.92Å
23L91.9Very high86.4Confident20 Ų2070.5 Ų70.511%0.10537%0.371CS..Hα-helixtrans-65.2-41.9179.8-68.6169.7000111.6W18 D19 S20 M25 F26 D27 V111 R118W18-L23 HydrophobicContact CE3-CD2 4.25Å; D19-L23 PolarHBondContact O-N 3.43Å; S20-L23 PolarHBondContact O-N 3.24Å; L23-M25 VanDerWaalsContact C-N 3.34Å; L23-F26 HydrophobicContact CD2-CD2 4.44Å; L23-F26 PolarHBondContact O-N 3.34Å; L23-D27 WeakPolarHBondContact O-CB 3.46Å; L23-D27 VanDerWaalsContact O-CG 3.28Å; L23-D27 PolarHBondContact O-N 2.7Å; L23-V111 HydrophobicContact CD2-CG1 3.94Å; L23-R118 VanDerWaalsContact CD1-NH2 3.3Å
24Q91.8Very high87.3Confident106 Ų10668.7 Ų68.750%0.49536%0.363SS..Hα-helixtrans-64.6-39.3173.1-71.1174.644.100111.6S20 G21 D27 L28S20-Q24 VanDerWaalsContact O-CG 3.28Å; S20-Q24 WeakPolarHBondContact O-CG 3.28Å; S20-Q24 PolarHBondContact O-N 3.15Å; S20-Q24 PolarHBondContact OG-NE2 3.2Å; G21-Q24 PolarHBondContact O-N 3.44Å; Q24-D27 PolarHBondContact O-N 2.88Å; Q24-L28 WeakPolarHBondContact O-CB 3.31Å; Q24-L28 PolarHBondContact O-N 2.86Å
25M94.2Very high88.5Confident1 Ų162.1 Ų62.11%0.00534%0.336CS..Hα-helixtrans-59.2-49.7173-178.1-135.472.300111G21 E22 L23 D27 L28 V29 V86 K95 Y96 V99G21-M25 WeakPolarHBondContact O-CB 3.46Å; G21-M25 PolarHBondContact O-N 3.23Å; E22-M25 WeakPolarHBondContact O-CB 3.24Å; E22-M25 PolarHBondContact O-N 3.38Å; L23-M25 VanDerWaalsContact C-N 3.34Å; M25-D27 VanDerWaalsContact C-N 3.3Å; M25-D27 PolarHBondContact O-N 3.07Å; M25-L28 PolarHBondContact O-N 3.07Å; M25-L28 VanDerWaalsContact O-N 3.15Å; M25-V29 HydrophobicContact CE-CG2 4.45Å; M25-V29 HydrophobicContact CG-CG2 4.46Å; M25-V29 VanDerWaalsContact O-CG2 3.29Å; M25-V29 WeakPolarHBondContact O-CG2 3.49Å; M25-V29 PolarHBondContact O-N 3.42Å; M25-V86 HydrophobicContact CB-CG2 3.88Å; M25-V86 HydrophobicContact CG-CB 4.42Å; M25-V86 HydrophobicContact CG-CG1 3.72Å; M25-V86 HydrophobicContact CG-CG2 3.75Å; M25-K95 HydrophobicContact SD-CB 4.47Å; M25-Y96 HydrophobicContact SD-CD2 4.4Å; M25-V99 HydrophobicContact CE-CG2 3.9Å
26F94.1Very high89.6Confident15 Ų1557.2 Ų57.27%0.06631%0.306CS..Hα-helixtrans-60.1-41177.3-64.1-54.3000112.2E22 L23 L28 V29 E30 V99 L104 P105 V111E22-F26 HydrophobicContact CB-CE2 4.15Å; E22-F26 WeakPolarHBondContact O-CD2 3.44Å; E22-F26 WeakPolarHBondContact O-CG 3.44Å; E22-F26 PolarHBondContact O-N 3.39Å; L23-F26 HydrophobicContact CD2-CD2 4.44Å; L23-F26 PolarHBondContact O-N 3.34Å; F26-L28 VanDerWaalsContact C-N 3.33Å; F26-V29 PolarHBondContact O-N 2.97Å; F26-E30 PolarHBondContact O-N 3.42Å; F26-E30 VanDerWaalsContact O-N 3.13Å; F26-V99 HydrophobicContact CD1-CG2 4.09Å; F26-V99 HydrophobicContact CE1-CG2 3.54Å; F26-L104 HydrophobicContact CB-CD2 4.32Å; F26-L104 HydrophobicContact CD1-CD2 4.44Å; F26-P105 HydrophobicContact CD1-CG 3.96Å; F26-P105 VanDerWaalsContact CE1-CD 3.43Å; F26-P105 HydrophobicContact CE1-CG 3.47Å; F26-P105 VanDerWaalsContact CE1-CG 3.47Å; F26-P105 HydrophobicContact CE2-CG 4.18Å; F26-P105 HydrophobicContact CZ-CG 3.63Å; F26-V111 HydrophobicContact CD2-CG1 3.9Å; F26-V111 HydrophobicContact CE2-CG1 3.8Å
27D92.9Very high90.9Very high29 Ų2952.1 Ų52.116%0.15527%0.271CS..Hα-helixtrans-63-40.1176.5-73.6-32.6000111.7L23 Q24 M25 E30 E31 R115 R118 K119L23-D27 WeakPolarHBondContact O-CB 3.46Å; L23-D27 VanDerWaalsContact O-CG 3.28Å; L23-D27 PolarHBondContact O-N 2.7Å; Q24-D27 PolarHBondContact O-N 2.88Å; M25-D27 VanDerWaalsContact C-N 3.3Å; M25-D27 PolarHBondContact O-N 3.07Å; D27-E30 PolarHBondContact O-N 3.01Å; D27-E31 PolarHBondContact O-N 3.17Å; D27-E31 VanDerWaalsContact O-N 3.07Å; D27-R115 WeakPolarHBondContact OD1-CD 2.97Å; D27-R115 VanDerWaalsContact OD1-CG 3.29Å; D27-R115 WeakPolarHBondContact OD1-CG 3.38Å; D27-R115 IonicContact OD1-CZ 3.17Å; D27-R115 IonicContact OD1-NE 2.77Å; D27-R115 IonicContact OD1-NH1 2.63Å; D27-R115 PolarHBondContact OD1-NH1 3.38Å; D27-R118 IonicContact OD2-NH1 3.81Å; D27-R118 PolarHBondContact OD2-NH1 3.36Å; D27-K119 WeakPolarHBondContact OD1-CE 3.45Å; D27-K119 IonicContact OD1-NZ 3.81Å; D27-K119 PolarHBondContact OD1-NZ 2.85Å; D27-K119 IonicContact OD2-NZ 3.88Å
28L94.5Very high91.9Very high18 Ų1853.9 Ų53.99%0.09427%0.269CS..Hα-helixtrans-69.1-41.6177.2-176.269.3000112.6Q24 M25 F26 E30 E31 V32 F36 G82 I83 V86Q24-L28 WeakPolarHBondContact O-CB 3.31Å; Q24-L28 PolarHBondContact O-N 2.86Å; M25-L28 PolarHBondContact O-N 3.07Å; M25-L28 VanDerWaalsContact O-N 3.15Å; F26-L28 VanDerWaalsContact C-N 3.33Å; L28-E30 VanDerWaalsContact C-N 3.29Å; L28-E30 PolarHBondContact O-N 3.45Å; L28-E31 PolarHBondContact O-N 3.14Å; L28-V32 HydrophobicContact CD1-CG2 3.87Å; L28-V32 HydrophobicContact CG-CG2 4.17Å; L28-V32 WeakPolarHBondContact O-CB 3.43Å; L28-V32 WeakPolarHBondContact O-CG2 3.45Å; L28-V32 PolarHBondContact O-N 3.34Å; L28-F36 HydrophobicContact CB-CZ 4.27Å; L28-F36 HydrophobicContact CD2-CE2 4.09Å; L28-F36 HydrophobicContact CD2-CZ 3.77Å; L28-F36 HydrophobicContact CG-CE1 4.34Å; L28-F36 HydrophobicContact CG-CZ 3.78Å; L28-G82 WeakPolarHBondContact CD2-O 3.32Å; L28-I83 HydrophobicContact CD2-CG1 4.04Å; L28-V86 HydrophobicContact CD2-CG2 4.11Å
29V94.5Very high92.6Very high17 Ų1752 Ų5210%0.10326%0.264CS..Hα-helixtrans-60.2-42.1176.1177.20000110.3M25 F26 E31 K33 F36 Y96 V99 L104M25-V29 HydrophobicContact CE-CG2 4.45Å; M25-V29 HydrophobicContact CG-CG2 4.46Å; M25-V29 VanDerWaalsContact O-CG2 3.29Å; M25-V29 WeakPolarHBondContact O-CG2 3.49Å; M25-V29 PolarHBondContact O-N 3.42Å; F26-V29 PolarHBondContact O-N 2.97Å; V29-E31 VanDerWaalsContact C-N 3.35Å; V29-K33 PolarHBondContact O-N 3.28Å; V29-F36 HydrophobicContact CB-CZ 4.2Å; V29-F36 HydrophobicContact CG2-CE1 4.14Å; V29-F36 HydrophobicContact CG2-CE2 3.79Å; V29-F36 HydrophobicContact CG2-CZ 3.38Å; V29-Y96 HydrophobicContact CG2-CD2 3.74Å; V29-Y96 HydrophobicContact CG2-CE2 3.62Å; V29-V99 HydrophobicContact CG1-CG1 4.33Å; V29-L104 HydrophobicContact CB-CD2 4.4Å; V29-L104 HydrophobicContact CG1-CD1 3.88Å; V29-L104 HydrophobicContact CG1-CD2 4.39Å; V29-L104 HydrophobicContact CG1-CG 4.21Å
30E92.1Very high93.1Very high92 Ų9247.9 Ų47.943%0.4324%0.241SC..Hα-helixtrans-68.7-31.6177.2-173.3173.8-177.900113F26 D27 L28 K33 L104 R115F26-E30 PolarHBondContact O-N 3.42Å; F26-E30 VanDerWaalsContact O-N 3.13Å; D27-E30 PolarHBondContact O-N 3.01Å; L28-E30 VanDerWaalsContact C-N 3.29Å; L28-E30 PolarHBondContact O-N 3.45Å; E30-K33 WeakPolarHBondContact O-CE 3.37Å; E30-K33 WeakPolarHBondContact O-CG 3.21Å; E30-L104 HydrophobicContact CB-CD2 4.46Å; E30-R115 IonicContact OE2-CZ 3.76Å; E30-R115 IonicContact OE2-NH1 2.8Å; E30-R115 PolarHBondContact OE2-NH1 3.36Å; E30-R115 IonicContact OE2-NH2 3.73Å; E30-R115 PolarHBondContact OE2-NH2 2.97Å
31E92.6Very high93.4Very high79 Ų7947.8 Ų47.837%0.36925%0.251SS..Hα-helixtrans-74.6-46.4177.5-166.7-168.4146.100112.6D27 L28 V29 R79D27-E31 PolarHBondContact O-N 3.17Å; D27-E31 VanDerWaalsContact O-N 3.07Å; L28-E31 PolarHBondContact O-N 3.14Å; V29-E31 VanDerWaalsContact C-N 3.35Å; E31-R79 IonicContact OE1-CZ 3.5Å; E31-R79 IonicContact OE1-NE 2.85Å; E31-R79 PolarHBondContact OE1-NE 2.88Å; E31-R79 IonicContact OE1-NH2 3.16Å; E31-R79 PolarHBondContact OE1-NH2 2.91Å
32V92.7Very high93.7Very high12 Ų1248.1 Ų48.17%0.07325%0.25CS..Hα-helixtrans-77.2-39.8-174.8176.80000111.2L28 E34 F36 R79 I83L28-V32 HydrophobicContact CD1-CG2 3.87Å; L28-V32 HydrophobicContact CG-CG2 4.17Å; L28-V32 WeakPolarHBondContact O-CB 3.43Å; L28-V32 WeakPolarHBondContact O-CG2 3.45Å; L28-V32 PolarHBondContact O-N 3.34Å; V32-E34 HydrophobicContact CG1-CB 3.99Å; V32-E34 PolarHBondContact O-N 3.43Å; V32-F36 HydrophobicContact CB-CE1 4.11Å; V32-F36 HydrophobicContact CG1-CE1 4.32Å; V32-F36 HydrophobicContact CG2-CE1 4.29Å; V32-R79 HydrophobicContact CG2-CB 4.06Å; V32-R79 HydrophobicContact CG2-CG 3.87Å; V32-I83 HydrophobicContact CG1-CD1 4.21Å; V32-I83 HydrophobicContact CG2-CD1 4.2Å
33K90.4Very high93.8Very high177 Ų17750.5 Ų50.577%0.7727%0.269SS*.  trans54.714.6-178.5-54.8-177.4-179.41760115.6V29 E30V29-K33 PolarHBondContact O-N 3.28Å; E30-K33 WeakPolarHBondContact O-CE 3.37Å; E30-K33 WeakPolarHBondContact O-CG 3.21Å
34E91.8Very high93.9Very high119 Ų11954 Ų5456%0.55628%0.284SS*.SBendtrans-121.9157.1174.9-63.7176173.400108.8V32 F36V32-E34 HydrophobicContact CG1-CB 3.99Å; V32-E34 PolarHBondContact O-N 3.43Å; E34-F36 PolarHBondContact O-N 3Å
35N94.7Very high93.9Very high46 Ų4655 Ų5525%0.24630%0.298CS..  trans-67.5130.8174.3-174.8-12.1000109.8Y37 D38 F39 Y96N35-Y37 VanDerWaalsContact C-N 3.28Å; N35-Y37 PolarHBondContact O-N 3.43Å; N35-Y37 VanDerWaalsContact OD1-CD2 3.28Å; N35-Y37 WeakPolarHBondContact OD1-CD2 3.43Å; N35-Y37 PolarHBondContact OD1-N 2.81Å; N35-Y37 VanDerWaalsContact OD1-N 3.15Å; N35-D38 HydrophobicContact CB-CB 4.07Å; N35-D38 VanDerWaalsContact CB-OD2 3.28Å; N35-D38 WeakPolarHBondContact CB-OD2 3.06Å; N35-D38 PolarHBondContact ND2-OD2 3.39Å; N35-D38 PolarHBondContact O-N 2.89Å; N35-F39 WeakPolarHBondContact O-CB 3.27Å; N35-F39 PolarHBondContact O-N 2.77Å; N35-Y96 WeakPolarHBondContact CA-OH 3.38Å; N35-Y96 PolarHBondContact OD1-OH 2.98Å
36F96.4Very high93.9Very high0 Ų055 Ų550%030%0.299CS..Hα-helixtrans-65.3-33.5-176.4-70-2.7000112.3L28 V29 V32 E34 L40 I83 V86 L87 Y96L28-F36 HydrophobicContact CB-CZ 4.27Å; L28-F36 HydrophobicContact CD2-CE2 4.09Å; L28-F36 HydrophobicContact CD2-CZ 3.77Å; L28-F36 HydrophobicContact CG-CE1 4.34Å; L28-F36 HydrophobicContact CG-CZ 3.78Å; V29-F36 HydrophobicContact CB-CZ 4.2Å; V29-F36 HydrophobicContact CG2-CE1 4.14Å; V29-F36 HydrophobicContact CG2-CE2 3.79Å; V29-F36 HydrophobicContact CG2-CZ 3.38Å; V32-F36 HydrophobicContact CB-CE1 4.11Å; V32-F36 HydrophobicContact CG1-CE1 4.32Å; V32-F36 HydrophobicContact CG2-CE1 4.29Å; E34-F36 PolarHBondContact O-N 3Å; F36-L40 WeakPolarHBondContact O-CB 3.45Å; F36-L40 PolarHBondContact O-N 2.98Å; F36-I83 HydrophobicContact CB-CG2 3.79Å; F36-I83 HydrophobicContact CD1-CD1 3.98Å; F36-I83 HydrophobicContact CD1-CG1 3.71Å; F36-I83 HydrophobicContact CD2-CG1 4.35Å; F36-I83 HydrophobicContact CD2-CG2 4.44Å; F36-I83 HydrophobicContact CE1-CD1 4.36Å; F36-I83 HydrophobicContact CE1-CG1 3.91Å; F36-I83 HydrophobicContact CG-CB 4.49Å; F36-I83 HydrophobicContact CG-CG1 3.94Å; F36-I83 HydrophobicContact CG-CG2 4.04Å; F36-I83 HydrophobicContact CZ-CG1 4.3Å; F36-V86 HydrophobicContact CD2-CB 4.49Å; F36-V86 HydrophobicContact CD2-CG1 4.15Å; F36-V86 HydrophobicContact CE2-CB 4.28Å; F36-V86 HydrophobicContact CE2-CG1 4.03Å; F36-V86 HydrophobicContact CE2-CG2 4.32Å; F36-L87 HydrophobicContact CB-CD1 4.16Å; F36-L87 HydrophobicContact CB-CD2 4.47Å; F36-L87 HydrophobicContact CB-CG 4.45Å; F36-Y96 HydrophobicContact CB-CE1 3.71Å; F36-Y96 HydrophobicContact CB-CE2 4.48Å; F36-Y96 HydrophobicContact CD1-CE2 4.23Å; F36-Y96 HydrophobicContact CD2-CD1 4.08Å; F36-Y96 AromaticContact CD2-CD2 3.72Å; F36-Y96 HydrophobicContact CD2-CD2 3.72Å; F36-Y96 AromaticContact CD2-CE1 3.79Å; F36-Y96 HydrophobicContact CD2-CE1 3.79Å; F36-Y96 AromaticContact CD2-CE2 3.45Å; F36-Y96 HydrophobicContact CD2-CE2 3.45Å; F36-Y96 VanDerWaalsContact CD2-CE2 3.45Å; F36-Y96 HydrophobicContact CD2-CG 4.03Å; F36-Y96 AromaticContact CD2-CZ 3.48Å; F36-Y96 VanDerWaalsContact CD2-CZ 3.48Å; F36-Y96 HydrophobicContact CE1-CE2 4.36Å; F36-Y96 AromaticContact CE2-CD2 3.71Å; F36-Y96 HydrophobicContact CE2-CD2 3.71Å; F36-Y96 AromaticContact CE2-CE2 3.6Å; F36-Y96 HydrophobicContact CE2-CE2 3.6Å; F36-Y96 HydrophobicContact CE2-CG 4.34Å; F36-Y96 AromaticContact CG-CE1 3.92Å; F36-Y96 HydrophobicContact CG-CE1 3.92Å; F36-Y96 AromaticContact CG-CE2 3.81Å; F36-Y96 HydrophobicContact CG-CE2 3.81Å; F36-Y96 AromaticContact CG-CZ 3.45Å; F36-Y96 VanDerWaalsContact CG-CZ 3.45Å; F36-Y96 WeakPolarHBondContact CG-OH 3.28Å; F36-Y96 HydrophobicContact CZ-CD2 4.48Å; F36-Y96 HydrophobicContact CZ-CE2 4.08Å; F36-Y96 PolarHBondContact N-OH 3.25Å
37Y96.7Very high94Very high1 Ų158.6 Ų58.60%0.00432%0.318CS..Hα-helixtrans-67.2-44.1175.5-61-69.3000111.1N35 L40 G41 V42 Q44 L87 R93 Y96 D97 L100N35-Y37 VanDerWaalsContact C-N 3.28Å; N35-Y37 PolarHBondContact O-N 3.43Å; N35-Y37 VanDerWaalsContact OD1-CD2 3.28Å; N35-Y37 WeakPolarHBondContact OD1-CD2 3.43Å; N35-Y37 PolarHBondContact OD1-N 2.81Å; N35-Y37 VanDerWaalsContact OD1-N 3.15Å; Y37-L40 PolarHBondContact O-N 3.5Å; Y37-G41 PolarHBondContact O-N 3.27Å; Y37-V42 CarbonylContact C-O 3.55Å; Y37-V42 HydrophobicContact CD1-CG2 4.11Å; Y37-V42 PolarHBondContact O-N 3.31Å; Y37-Q44 HydrophobicContact CD2-CB 4.01Å; Y37-Q44 HydrophobicContact CD2-CG 3.97Å; Y37-Q44 HydrophobicContact CE1-CG 4.49Å; Y37-Q44 HydrophobicContact CE2-CB 4.13Å; Y37-Q44 HydrophobicContact CE2-CG 3.59Å; Y37-Q44 HydrophobicContact CG-CB 4.21Å; Y37-L87 HydrophobicContact CD1-CD1 4.19Å; Y37-L87 HydrophobicContact CD1-CD2 4.28Å; Y37-L87 HydrophobicContact CE1-CD1 4.26Å; Y37-L87 HydrophobicContact CE1-CD2 3.63Å; Y37-L87 HydrophobicContact CE2-CD2 4.44Å; Y37-R93 WeakPolarHBondContact OH-CG 3.12Å; Y37-R93 PolarHBondContact OH-NE 3Å; Y37-Y96 AromaticContact CD2-CE1 4Å; Y37-Y96 HydrophobicContact CD2-CE1 4Å; Y37-Y96 AromaticContact CE2-CD1 3.94Å; Y37-Y96 HydrophobicContact CE2-CD1 3.94Å; Y37-Y96 AromaticContact CE2-CE1 3.66Å; Y37-Y96 HydrophobicContact CE2-CE1 3.66Å; Y37-D97 VanDerWaalsContact CE2-OD1 3.24Å; Y37-D97 WeakPolarHBondContact CE2-OD1 3.36Å; Y37-D97 PolarHBondContact OH-OD1 3.03Å; Y37-D97 PolarHBondContact OH-OD2 3.16Å; Y37-L100 HydrophobicContact CD2-CD1 4.1Å; Y37-L100 HydrophobicContact CE2-CD1 3.84Å
38D95.1Very high94.1Very high117 Ų11761 Ų6163%0.62633%0.33SS*.Hα-helixtrans-66.7-41.3177.8-62.6-24.1000111.2N35 L40 G41N35-D38 HydrophobicContact CB-CB 4.07Å; N35-D38 VanDerWaalsContact CB-OD2 3.28Å; N35-D38 WeakPolarHBondContact CB-OD2 3.06Å; N35-D38 PolarHBondContact ND2-OD2 3.39Å; N35-D38 PolarHBondContact O-N 2.89Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-L40 PolarHBondContact O-N 2.85Å; D38-G41 PolarHBondContact O-N 3.25Å; D38-G41 VanDerWaalsContact O-N 3.07Å
39F94.3Very high94.1Very high48 Ų4863.6 Ų63.621%0.21135%0.35CS..Hα-helixtrans-59.8-40.4175.1-176.7-89.9000112.1N35 G41 L80 I83N35-F39 WeakPolarHBondContact O-CB 3.27Å; N35-F39 PolarHBondContact O-N 2.77Å; F39-G41 VanDerWaalsContact C-N 3.31Å; F39-L80 HydrophobicContact CD1-CD1 4.43Å; F39-L80 HydrophobicContact CE1-CB 4.03Å; F39-L80 HydrophobicContact CE1-CD1 3.82Å; F39-I83 HydrophobicContact CB-CD1 4.14Å; F39-I83 HydrophobicContact CD1-CD1 3.27Å; F39-I83 HydrophobicContact CD2-CD1 4.32Å; F39-I83 HydrophobicContact CE1-CD1 3.66Å; F39-I83 HydrophobicContact CG-CD1 3.65Å; F39-I83 HydrophobicContact CZ-CD1 4.34Å
40L94.7Very high94.2Very high7 Ų767.7 Ų67.74%0.03737%0.368CS..Hα-helixtrans-80.4-15.3177.7-148.674.6000112.8F36 Y37 D38 V42 I51 A54 L58 L80 L87F36-L40 WeakPolarHBondContact O-CB 3.45Å; F36-L40 PolarHBondContact O-N 2.98Å; Y37-L40 PolarHBondContact O-N 3.5Å; D38-L40 VanDerWaalsContact C-N 3.3Å; D38-L40 PolarHBondContact O-N 2.85Å; L40-V42 HydrophobicContact CB-CG2 4.11Å; L40-V42 HydrophobicContact CD2-CG1 4.26Å; L40-V42 HydrophobicContact CD2-CG2 4.16Å; L40-V42 HydrophobicContact CG-CG1 4.49Å; L40-I51 HydrophobicContact CD2-CB 4.23Å; L40-I51 HydrophobicContact CD2-CG1 4.49Å; L40-I51 HydrophobicContact CD2-CG2 3.72Å; L40-A54 HydrophobicContact CD2-CB 3.93Å; L40-A54 HydrophobicContact CG-CB 3.78Å; L40-L58 HydrophobicContact CD1-CD1 3.91Å; L40-L58 HydrophobicContact CG-CD1 4.28Å; L40-L80 HydrophobicContact CD1-CD1 3.56Å; L40-L87 HydrophobicContact CD2-CD1 4.38Å
41G94.2Very high94.4Very high67 Ų6763.4 Ų63.469%0.69135%0.348SS*.THydrogen-bonded Turntrans69.637-175.700000113.1Y37 D38 F39Y37-G41 PolarHBondContact O-N 3.27Å; D38-G41 PolarHBondContact O-N 3.25Å; D38-G41 VanDerWaalsContact O-N 3.07Å; F39-G41 VanDerWaalsContact C-N 3.31Å
42V96Very high94.6Very high23 Ų2364.3 Ų64.314%0.13935%0.351CS..  trans-123157.9179.1-58.70000110.6Y37 L40 A46 I51 A54Y37-V42 CarbonylContact C-O 3.55Å; Y37-V42 HydrophobicContact CD1-CG2 4.11Å; Y37-V42 PolarHBondContact O-N 3.31Å; L40-V42 HydrophobicContact CB-CG2 4.11Å; L40-V42 HydrophobicContact CD2-CG1 4.26Å; L40-V42 HydrophobicContact CD2-CG2 4.16Å; L40-V42 HydrophobicContact CG-CG1 4.49Å; V42-A46 HydrophobicContact CB-CB 3.94Å; V42-A46 HydrophobicContact CG2-CB 4.2Å; V42-I51 HydrophobicContact CG2-CG1 4.3Å; V42-A54 HydrophobicContact CG1-CB 3.44Å; V42-A54 VanDerWaalsContact CG1-CB 3.44Å
43S95.1Very high94.8Very high67 Ų6772.7 Ų72.747%0.46938%0.381SS..  trans-67.6151.2172.1179.60000111.2T45 A46S43-T45 PolarHBondContact O-N 3.3Å; S43-T45 PolarHBondContact OG-N 3.08Å; S43-T45 PolarHBondContact OG-OG1 2.86Å; S43-A46 WeakPolarHBondContact O-CB 3.36Å; S43-A46 PolarHBondContact O-N 3.43Å
44Q92.9Very high95.1Very high93 Ų9365 Ų6544%0.43535%0.351SS..THydrogen-bonded Turntrans-58.1-26.9169.4-178168.439.800112.4Y37 A46 R93 D97Y37-Q44 HydrophobicContact CD2-CB 4.01Å; Y37-Q44 HydrophobicContact CD2-CG 3.97Å; Y37-Q44 HydrophobicContact CE1-CG 4.49Å; Y37-Q44 HydrophobicContact CE2-CB 4.13Å; Y37-Q44 HydrophobicContact CE2-CG 3.59Å; Y37-Q44 HydrophobicContact CG-CB 4.21Å; Q44-A46 VanDerWaalsContact C-N 3.34Å; Q44-R93 PolarHBondContact O-NH2 2.87Å; Q44-D97 PolarHBondContact NE2-OD1 3.14Å
45T92.8Very high95.3Very high126 Ų12661.5 Ų61.577%0.77333%0.333SS*.THydrogen-bonded Turntrans-89.56.8176.462.60000113.8S43S43-T45 PolarHBondContact O-N 3.3Å; S43-T45 PolarHBondContact OG-N 3.08Å; S43-T45 PolarHBondContact OG-OG1 2.86Å
46A93.9Very high95.4Very high3 Ų365.4 Ų65.43%0.02534%0.344CS..  trans-62.9143-175.800000112.3V42 S43 Q44 E50 I51 R93V42-A46 HydrophobicContact CB-CB 3.94Å; V42-A46 HydrophobicContact CG2-CB 4.2Å; S43-A46 WeakPolarHBondContact O-CB 3.36Å; S43-A46 PolarHBondContact O-N 3.43Å; Q44-A46 VanDerWaalsContact C-N 3.34Å; A46-E50 WeakPolarHBondContact CA-OE2 3.05Å; A46-E50 HydrophobicContact CB-CB 4.24Å; A46-E50 VanDerWaalsContact CB-OE2 3.31Å; A46-E50 WeakPolarHBondContact CB-OE2 3.42Å; A46-I51 HydrophobicContact CB-CG1 4.29Å; A46-R93 PolarHBondContact O-NH1 2.81Å; A46-R93 PolarHBondContact O-NH2 2.84Å
47D95.1Very high95.4Very high89 Ų8972.1 Ų72.148%0.47637%0.373SS..  trans-71.4157.9174.9179.550.7000111.4S49 E50 I51D47-S49 PolarHBondContact O-N 3Å; D47-S49 VanDerWaalsContact OD2-CB 3.24Å; D47-S49 WeakPolarHBondContact OD2-CB 3.39Å; D47-S49 PolarHBondContact OD2-N 3.26Å; D47-S49 PolarHBondContact OD2-OG 3.45Å; D47-E50 HydrophobicContact CB-CG 4.46Å; D47-E50 PolarHBondContact N-OE2 2.93Å; D47-E50 WeakPolarHBondContact O-CB 3.47Å; D47-E50 PolarHBondContact O-N 2.85Å; D47-I51 PolarHBondContact O-N 3.45Å; D47-I51 VanDerWaalsContact O-N 3.08Å
48I94.9Very high95.4Very high80 Ų8073.9 Ų73.941%0.4138%0.382SS..Hα-helixtrans-56.7-34.3178-60.3169.4000110.9K52I48-K52 WeakPolarHBondContact O-CB 3.44Å; I48-K52 PolarHBondContact O-N 3.36Å
49S95.6Very high95.4Very high72 Ų7269.3 Ų69.350%0.50336%0.359SS..Hα-helixtrans-66.7-36.8177.566.20000113.2D47 K52 R53D47-S49 PolarHBondContact O-N 3Å; D47-S49 VanDerWaalsContact OD2-CB 3.24Å; D47-S49 WeakPolarHBondContact OD2-CB 3.39Å; D47-S49 PolarHBondContact OD2-N 3.26Å; D47-S49 PolarHBondContact OD2-OG 3.45Å; S49-K52 PolarHBondContact O-N 3Å; S49-R53 PolarHBondContact O-N 3.07Å
50E96.5Very high95.4Very high104 Ų10470 Ų7049%0.48637%0.37SS..Hα-helixtrans-69.5-45.4176.5-63.9-175.9156.400110.9A46 D47 K52 R53 A54A46-E50 WeakPolarHBondContact CA-OE2 3.05Å; A46-E50 HydrophobicContact CB-CB 4.24Å; A46-E50 VanDerWaalsContact CB-OE2 3.31Å; A46-E50 WeakPolarHBondContact CB-OE2 3.42Å; D47-E50 HydrophobicContact CB-CG 4.46Å; D47-E50 PolarHBondContact N-OE2 2.93Å; D47-E50 WeakPolarHBondContact O-CB 3.47Å; D47-E50 PolarHBondContact O-N 2.85Å; E50-K52 VanDerWaalsContact C-N 3.31Å; E50-K52 PolarHBondContact O-N 3.48Å; E50-R53 WeakPolarHBondContact O-CB 3.42Å; E50-R53 PolarHBondContact O-N 3.01Å; E50-A54 PolarHBondContact O-N 3.25Å
51I96.1Very high95.3Very high1 Ų175.6 Ų75.61%0.00539%0.394CS..Hα-helixtrans-56-47173.6-68.3164.2000110.1L40 V42 A46 D47 R53 A54 Y55 Y84 L87L40-I51 HydrophobicContact CD2-CB 4.23Å; L40-I51 HydrophobicContact CD2-CG1 4.49Å; L40-I51 HydrophobicContact CD2-CG2 3.72Å; V42-I51 HydrophobicContact CG2-CG1 4.3Å; A46-I51 HydrophobicContact CB-CG1 4.29Å; D47-I51 PolarHBondContact O-N 3.45Å; D47-I51 VanDerWaalsContact O-N 3.08Å; I51-R53 VanDerWaalsContact C-N 3.32Å; I51-R53 PolarHBondContact O-N 3.46Å; I51-A54 PolarHBondContact O-N 3.05Å; I51-Y55 WeakPolarHBondContact O-CB 3.38Å; I51-Y55 PolarHBondContact O-N 2.94Å; I51-Y84 HydrophobicContact CG2-CD2 4.11Å; I51-Y84 HydrophobicContact CG2-CE2 4.47Å; I51-L87 HydrophobicContact CD1-CB 4.3Å; I51-L87 HydrophobicContact CG2-CB 4.01Å
52K96.6Very high95.3Very high99 Ų9974.5 Ų74.543%0.4337%0.372SS..Hα-helixtrans-62.9-35.6176.7-172177.1-176.7177.20112.7I48 S49 E50 R56 Y84I48-K52 WeakPolarHBondContact O-CB 3.44Å; I48-K52 PolarHBondContact O-N 3.36Å; S49-K52 PolarHBondContact O-N 3Å; E50-K52 VanDerWaalsContact C-N 3.31Å; E50-K52 PolarHBondContact O-N 3.48Å; K52-R56 WeakPolarHBondContact O-CG 3.24Å; K52-R56 PolarHBondContact O-N 3.44Å; K52-R56 PolarHBondContact O-NE 2.85Å; K52-Y84 HydrophobicContact CB-CE2 4.3Å; K52-Y84 HydrophobicContact CG-CE2 4.47Å
53R97Very high95.1Very high188 Ų18876.8 Ų76.871%0.70938%0.381SS*.Hα-helixtrans-69.1-45.2175.8-173.3-179.2-179-174.10.5111.5S49 E50 I51 R56 K57S49-R53 PolarHBondContact O-N 3.07Å; E50-R53 WeakPolarHBondContact O-CB 3.42Å; E50-R53 PolarHBondContact O-N 3.01Å; I51-R53 VanDerWaalsContact C-N 3.32Å; I51-R53 PolarHBondContact O-N 3.46Å; R53-R56 PolarHBondContact O-N 3.41Å; R53-K57 PolarHBondContact O-N 3.24Å; R53-K57 VanDerWaalsContact O-N 3.17Å
54A96.7Very high95.1Very high16 Ų1675.9 Ų75.913%0.13237%0.374CS..Hα-helixtrans-63.4-44.2177.900000111.6L40 V42 E50 I51 R56 K57 L58L40-A54 HydrophobicContact CD2-CB 3.93Å; L40-A54 HydrophobicContact CG-CB 3.78Å; V42-A54 HydrophobicContact CG1-CB 3.44Å; V42-A54 VanDerWaalsContact CG1-CB 3.44Å; E50-A54 PolarHBondContact O-N 3.25Å; I51-A54 PolarHBondContact O-N 3.05Å; A54-R56 PolarHBondContact O-N 3.28Å; A54-K57 WeakPolarHBondContact O-CB 3.47Å; A54-K57 PolarHBondContact O-N 3.43Å; A54-K57 VanDerWaalsContact O-N 3.14Å; A54-L58 PolarHBondContact O-N 3.36Å
55Y97.1Very high95.1Very high45 Ų4577.9 Ų77.918%0.17639%0.388CS..Hα-helixtrans-54.4-50.4172.9171.1-107.5000112.3I51 K57 L58 S59 L80 V81 Y84I51-Y55 WeakPolarHBondContact O-CB 3.38Å; I51-Y55 PolarHBondContact O-N 2.94Å; Y55-K57 VanDerWaalsContact C-N 3.27Å; Y55-K57 PolarHBondContact O-N 2.97Å; Y55-L58 PolarHBondContact O-N 3.33Å; Y55-S59 VanDerWaalsContact O-CB 3.27Å; Y55-S59 WeakPolarHBondContact O-CB 3.41Å; Y55-S59 PolarHBondContact O-N 2.62Å; Y55-S59 PolarHBondContact O-OG 3.19Å; Y55-L80 HydrophobicContact CD2-CD1 4.1Å; Y55-L80 HydrophobicContact CD2-CD2 4.17Å; Y55-L80 HydrophobicContact CD2-CG 3.83Å; Y55-L80 HydrophobicContact CE2-CD2 4.16Å; Y55-L80 HydrophobicContact CE2-CG 3.93Å; Y55-V81 HydrophobicContact CE2-CG2 4.36Å; Y55-Y84 HydrophobicContact CD1-CD1 4.06Å; Y55-Y84 HydrophobicContact CD1-CD2 4.09Å; Y55-Y84 HydrophobicContact CD1-CE1 4.18Å; Y55-Y84 HydrophobicContact CD1-CE2 4.22Å; Y55-Y84 HydrophobicContact CD1-CG 4Å; Y55-Y84 VanDerWaalsContact CD2-CB 3.47Å; Y55-Y84 HydrophobicContact CD2-CD1 4.19Å; Y55-Y84 HydrophobicContact CD2-CD2 4.19Å; Y55-Y84 AromaticContact CD2-CG 3.69Å; Y55-Y84 HydrophobicContact CD2-CG 3.69Å; Y55-Y84 HydrophobicContact CE1-CD1 4.05Å; Y55-Y84 HydrophobicContact CE1-CE1 4.18Å; Y55-Y84 HydrophobicContact CE1-CG 4.38Å; Y55-Y84 HydrophobicContact CE2-CD1 4.18Å; Y55-Y84 HydrophobicContact CE2-CG 4.1Å; Y55-Y84 HydrophobicContact CG-CD1 4.13Å; Y55-Y84 AromaticContact CG-CD2 3.71Å; Y55-Y84 HydrophobicContact CG-CD2 3.71Å; Y55-Y84 HydrophobicContact CG-CE2 4.26Å; Y55-Y84 AromaticContact CG-CG 3.63Å; Y55-Y84 HydrophobicContact CG-CG 3.63Å
56R96.6Very high95.1Very high128 Ų12878.2 Ų78.248%0.48338%0.378SS..Hα-helixtrans-60-35.8178.4-73.8179.1-66.2-146.9-1.1113.3K52 R53 A54 S59 S60K52-R56 WeakPolarHBondContact O-CG 3.24Å; K52-R56 PolarHBondContact O-N 3.44Å; K52-R56 PolarHBondContact O-NE 2.85Å; R53-R56 PolarHBondContact O-N 3.41Å; A54-R56 PolarHBondContact O-N 3.28Å; R56-S59 WeakPolarHBondContact CA-OG 3.48Å; R56-S59 PolarHBondContact O-OG 2.95Å; R56-S59 VanDerWaalsContact O-OG 3.08Å; R56-S60 WeakPolarHBondContact O-CB 3.43Å; R56-S60 PolarHBondContact O-N 3.14Å; R56-S60 PolarHBondContact O-OG 2.95Å
57K96.4Very high95Very high140 Ų14080.8 Ų80.861%0.60939%0.392SS*.Hα-helixtrans-69.8-44.8178.3-174.3-177.7180-175.40110.9R53 A54 Y55 K61R53-K57 PolarHBondContact O-N 3.24Å; R53-K57 VanDerWaalsContact O-N 3.17Å; A54-K57 WeakPolarHBondContact O-CB 3.47Å; A54-K57 PolarHBondContact O-N 3.43Å; A54-K57 VanDerWaalsContact O-N 3.14Å; Y55-K57 VanDerWaalsContact C-N 3.27Å; Y55-K57 PolarHBondContact O-N 2.97Å; K57-K61 WeakPolarHBondContact O-CG 3.44Å; K57-K61 PolarHBondContact O-N 2.81Å
58L95.1Very high94.8Very high38 Ų3881.4 Ų81.420%0.19940%0.401CS..Hα-helixtrans-74.2-37.5179.5-74172.3000112.4L40 A54 Y55 S60 K61 L62 L80L40-L58 HydrophobicContact CD1-CD1 3.91Å; L40-L58 HydrophobicContact CG-CD1 4.28Å; A54-L58 PolarHBondContact O-N 3.36Å; Y55-L58 PolarHBondContact O-N 3.33Å; L58-S60 VanDerWaalsContact C-N 3.29Å; L58-S60 PolarHBondContact O-N 3.32Å; L58-K61 WeakPolarHBondContact O-CB 3.48Å; L58-K61 PolarHBondContact O-N 3.12Å; L58-L62 WeakPolarHBondContact O-CB 3.45Å; L58-L62 PolarHBondContact O-N 3.06Å; L58-L80 HydrophobicContact CB-CD1 3.86Å; L58-L80 HydrophobicContact CB-CD2 3.84Å; L58-L80 HydrophobicContact CD1-CD1 4.07Å
59S95.3Very high94.7Very high21 Ų2185 Ų8515%0.14742%0.421CS..Hα-helixtrans-62.4-41.2178.367.10000110.9Y55 R56 K61 H63 L80Y55-S59 VanDerWaalsContact O-CB 3.27Å; Y55-S59 WeakPolarHBondContact O-CB 3.41Å; Y55-S59 PolarHBondContact O-N 2.62Å; Y55-S59 PolarHBondContact O-OG 3.19Å; R56-S59 WeakPolarHBondContact CA-OG 3.48Å; R56-S59 PolarHBondContact O-OG 2.95Å; R56-S59 VanDerWaalsContact O-OG 3.08Å; S59-K61 PolarHBondContact O-N 3.01Å; S59-H63 WeakPolarHBondContact O-CB 3.45Å; S59-H63 PolarHBondContact O-N 3.13Å; S59-L80 VanDerWaalsContact CA-CD2 3.48Å; S59-L80 VanDerWaalsContact N-CD2 3.34Å
60S94.2Very high94.5Very high62 Ų6284.1 Ų84.143%0.43441%0.41SS..Hα-helixtrans-66.1-19.8174.5-60.70000113.9R56 L58 K66R56-S60 WeakPolarHBondContact O-CB 3.43Å; R56-S60 PolarHBondContact O-N 3.14Å; R56-S60 PolarHBondContact O-OG 2.95Å; L58-S60 VanDerWaalsContact C-N 3.29Å; L58-S60 PolarHBondContact O-N 3.32Å; S60-K66 WeakPolarHBondContact O-CD 3.42Å; S60-K66 WeakPolarHBondContact O-CE 3.34Å; S60-K66 PolarHBondContact O-NZ 3.1Å
61K93.5Very high94.2Very high125 Ų12584.7 Ų84.754%0.54342%0.423SS..Hα-helixtrans-94.6-41.3179.1-73.9178.6174.3-1630112.2K57 L58 S59 N67K57-K61 WeakPolarHBondContact O-CG 3.44Å; K57-K61 PolarHBondContact O-N 2.81Å; L58-K61 WeakPolarHBondContact O-CB 3.48Å; L58-K61 PolarHBondContact O-N 3.12Å; S59-K61 PolarHBondContact O-N 3.01Å; K61-N67 PolarHBondContact O-ND2 2.85Å
62L93.1Very high94Very high44 Ų4487.1 Ų87.123%0.2344%0.438CS..Hα-helixtrans-92.95.2-175.5-64.9174.5000113.2L58 K76 L80L58-L62 WeakPolarHBondContact O-CB 3.45Å; L58-L62 PolarHBondContact O-N 3.06Å; L62-K76 HydrophobicContact CD2-CD 4.42Å; L62-L80 HydrophobicContact CD1-CD2 4.37Å
63H93.6Very high93.8Very high71 Ų7182.6 Ų82.633%0.32942%0.419SS..  trans-60.7135.8-179.8-163.9-94.2000111.1S59 D65 K66 N67 F77S59-H63 WeakPolarHBondContact O-CB 3.45Å; S59-H63 PolarHBondContact O-N 3.13Å; H63-D65 VanDerWaalsContact C-N 3.3Å; H63-D65 VanDerWaalsContact CE1-CB 3.43Å; H63-D65 WeakPolarHBondContact CE1-CB 3.18Å; H63-D65 WeakPolarHBondContact ND1-CB 3.1Å; H63-D65 PolarHBondContact ND1-N 2.89Å; H63-D65 VanDerWaalsContact ND1-N 3.14Å; H63-D65 PolarHBondContact O-N 3.47Å; H63-K66 HydrophobicContact CB-CG 4.49Å; H63-K66 PolarHBondContact O-N 3.43Å; H63-K66 VanDerWaalsContact O-N 3.12Å; H63-N67 PolarHBondContact O-N 3.49Å; H63-N67 PolarHBondContact O-ND2 3.06Å; H63-F77 AromaticContact CD2-CE2 3.97Å
64P93.9Very high93.6Very high49 Ų4980.8 Ų80.832%0.31842%0.418SS..G310 helixtrans-60.2-37.5-179.222.4-33.6000112.9K66 N67P64-K66 PolarHBondContact O-N 3.19Å; P64-N67 CarbonylContact O-C 3.58Å; P64-N67 VanDerWaalsContact O-C 3.23Å; P64-N67 PolarHBondContact O-N 2.91Å; P64-N67 VanDerWaalsContact O-N 3.09Å
65D92.9Very high93.5Very high135 Ų13585.1 Ų85.172%0.72244%0.436SS*.G310 helixtrans-61-28.5177.6-167.543.4000113.6H63H63-D65 VanDerWaalsContact C-N 3.3Å; H63-D65 VanDerWaalsContact CE1-CB 3.43Å; H63-D65 WeakPolarHBondContact CE1-CB 3.18Å; H63-D65 WeakPolarHBondContact ND1-CB 3.1Å; H63-D65 PolarHBondContact ND1-N 2.89Å; H63-D65 VanDerWaalsContact ND1-N 3.14Å; H63-D65 PolarHBondContact O-N 3.47Å
66K92.3Very high93.2Very high132 Ų13286.5 Ų86.557%0.57444%0.443SS*.G310 helixtrans-90.3-14.2178.2-64.9-166.8-170.5176.20113.5S60 H63 P64S60-K66 WeakPolarHBondContact O-CD 3.42Å; S60-K66 WeakPolarHBondContact O-CE 3.34Å; S60-K66 PolarHBondContact O-NZ 3.1Å; H63-K66 HydrophobicContact CB-CG 4.49Å; H63-K66 PolarHBondContact O-N 3.43Å; H63-K66 VanDerWaalsContact O-N 3.12Å; P64-K66 PolarHBondContact O-N 3.19Å
67N92.9Very high93.2Very high58 Ų5882.9 Ų82.931%0.3143%0.431SS..  trans-12958.9-179.1-53.2-81.2000109.8K61 H63 P64 D69 D70 A73K61-N67 PolarHBondContact O-ND2 2.85Å; H63-N67 PolarHBondContact O-N 3.49Å; H63-N67 PolarHBondContact O-ND2 3.06Å; P64-N67 CarbonylContact O-C 3.58Å; P64-N67 VanDerWaalsContact O-C 3.23Å; P64-N67 PolarHBondContact O-N 2.91Å; P64-N67 VanDerWaalsContact O-N 3.09Å; N67-D69 PolarHBondContact O-N 2.77Å; N67-D70 HydrophobicContact CB-CB 4.36Å; N67-D70 PolarHBondContact O-N 2.94Å; N67-A73 HydrophobicContact CB-CB 4.08Å
68P90.2Very high93.1Very high102 Ų10284.9 Ų84.966%0.66244%0.435SS*.THydrogen-bonded Turntrans-63.6-24.3-177.827.7-35.8000112.8
69D92.1Very high93.2Very high155 Ų15586.3 Ų86.383%0.82944%0.437SS*.THydrogen-bonded Turntrans-80.1-14.3-179.5-56.3-45.2000113.6N67 P71N67-D69 PolarHBondContact O-N 2.77Å; D69-P71 VanDerWaalsContact O-CD 3.3Å; D69-P71 WeakPolarHBondContact O-CD 3.35Å
70D91.9Very high93.2Very high53 Ų5385.3 Ų85.328%0.28343%0.43SS..  trans-98.9104.2179.8-175.91.8000110.5N67 T72 A73 K76N67-D70 HydrophobicContact CB-CB 4.36Å; N67-D70 PolarHBondContact O-N 2.94Å; D70-T72 PolarHBondContact O-N 3.1Å; D70-T72 WeakPolarHBondContact OD1-CA 3.41Å; D70-T72 WeakPolarHBondContact OD1-CB 3.29Å; D70-T72 PolarHBondContact OD1-N 3.39Å; D70-T72 PolarHBondContact OD1-OG1 3.34Å; D70-T72 PolarHBondContact OD2-OG1 3Å; D70-T72 VanDerWaalsContact OD2-OG1 3.1Å; D70-A73 HydrophobicContact CB-CB 4.15Å; D70-A73 VanDerWaalsContact O-CB 3.22Å; D70-A73 WeakPolarHBondContact O-CB 3.25Å; D70-A73 PolarHBondContact O-N 2.87Å; D70-K76 IonicContact OD2-NZ 2.77Å; D70-K76 PolarHBondContact OD2-NZ 2.9Å
71P90.4Very high93.3Very high117 Ų11784 Ų8476%0.7642%0.42SS*.THydrogen-bonded Turntrans-64.5-14.6177.728.1-35.7000112.9D69D69-P71 VanDerWaalsContact O-CD 3.3Å; D69-P71 WeakPolarHBondContact O-CD 3.35Å
72T91.7Very high93.4Very high52 Ų5278.8 Ų78.832%0.31940%0.401SS..THydrogen-bonded Turntrans-90.5-6.2176.573.10000113.2D70 E74 Q75 K76D70-T72 PolarHBondContact O-N 3.1Å; D70-T72 WeakPolarHBondContact OD1-CA 3.41Å; D70-T72 WeakPolarHBondContact OD1-CB 3.29Å; D70-T72 PolarHBondContact OD1-N 3.39Å; D70-T72 PolarHBondContact OD1-OG1 3.34Å; D70-T72 PolarHBondContact OD2-OG1 3Å; D70-T72 VanDerWaalsContact OD2-OG1 3.1Å; T72-E74 VanDerWaalsContact C-N 3.31Å; T72-E74 PolarHBondContact O-N 2.59Å; T72-Q75 PolarHBondContact O-N 3.16Å; T72-Q75 VanDerWaalsContact O-N 3.16Å; T72-K76 WeakPolarHBondContact O-CG 3.48Å; T72-K76 PolarHBondContact O-N 3.39Å; T72-K76 WeakPolarHBondContact OG1-CE 3.32Å; T72-K76 PolarHBondContact OG1-NZ 3.37Å
73A92.8Very high93.6Very high3 Ų376.7 Ų76.73%0.02539%0.39CS..Hα-helixtrans-57.7-42.1-178.900000112.3N67 D70 Q75 K76 F77N67-A73 HydrophobicContact CB-CB 4.08Å; D70-A73 HydrophobicContact CB-CB 4.15Å; D70-A73 VanDerWaalsContact O-CB 3.22Å; D70-A73 WeakPolarHBondContact O-CB 3.25Å; D70-A73 PolarHBondContact O-N 2.87Å; A73-Q75 PolarHBondContact O-N 3.2Å; A73-K76 PolarHBondContact O-N 3.23Å; A73-F77 VanDerWaalsContact O-CB 3.29Å; A73-F77 WeakPolarHBondContact O-CB 3.17Å; A73-F77 PolarHBondContact O-N 3.27Å
74E93Very high93.7Very high150 Ų15075 Ų7570%0.70138%0.381SS*.Hα-helixtrans-61.6-43.8177.1-172.4-177.7175.100111.9T72 F77 R78T72-E74 VanDerWaalsContact C-N 3.31Å; T72-E74 PolarHBondContact O-N 2.59Å; E74-F77 PolarHBondContact O-N 3.15Å; E74-R78 WeakPolarHBondContact O-CB 3.36Å; E74-R78 PolarHBondContact O-N 2.86Å
75Q93.7Very high93.8Very high107 Ų10777.9 Ų77.950%0.539%0.39SS..Hα-helixtrans-66.2-44.4178.3-64.1-179.7700111.5T72 A73 F77 R78 R79T72-Q75 PolarHBondContact O-N 3.16Å; T72-Q75 VanDerWaalsContact O-N 3.16Å; A73-Q75 PolarHBondContact O-N 3.2Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 2.89Å; Q75-R78 PolarHBondContact O-N 3.37Å; Q75-R79 VanDerWaalsContact O-CG 3.32Å; Q75-R79 WeakPolarHBondContact O-CG 3.46Å; Q75-R79 PolarHBondContact O-N 3.41Å
76K92.8Very high94Very high75 Ų7571.8 Ų71.833%0.32636%0.358SS..Hα-helixtrans-61.1-41.9175.4-70.8172.2-174.9161.40111.5L62 D70 T72 A73 R79 L80L62-K76 HydrophobicContact CD2-CD 4.42Å; D70-K76 IonicContact OD2-NZ 2.77Å; D70-K76 PolarHBondContact OD2-NZ 2.9Å; T72-K76 WeakPolarHBondContact O-CG 3.48Å; T72-K76 PolarHBondContact O-N 3.39Å; T72-K76 WeakPolarHBondContact OG1-CE 3.32Å; T72-K76 PolarHBondContact OG1-NZ 3.37Å; A73-K76 PolarHBondContact O-N 3.23Å; K76-R79 PolarHBondContact O-N 3.42Å; K76-L80 WeakPolarHBondContact O-CB 3.04Å; K76-L80 PolarHBondContact O-N 3.46Å
77F95.6Very high94.2Very high51 Ų5165.5 Ų65.522%0.22433%0.331CS..Hα-helixtrans-65.1-44.9176.8-173.5-98.8000111.5H63 A73 E74 Q75 R79 L80 V81H63-F77 AromaticContact CD2-CE2 3.97Å; A73-F77 VanDerWaalsContact O-CB 3.29Å; A73-F77 WeakPolarHBondContact O-CB 3.17Å; A73-F77 PolarHBondContact O-N 3.27Å; E74-F77 PolarHBondContact O-N 3.15Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 2.89Å; F77-R79 VanDerWaalsContact C-N 3.33Å; F77-R79 PolarHBondContact O-N 2.94Å; F77-L80 WeakPolarHBondContact O-CB 3.36Å; F77-L80 PolarHBondContact O-N 3.38Å; F77-V81 HydrophobicContact CD1-CG2 4.1Å; F77-V81 HydrophobicContact CE1-CG2 3.74Å; F77-V81 HydrophobicContact CZ-CG2 4.05Å; F77-V81 WeakPolarHBondContact O-CG2 3.43Å; F77-V81 PolarHBondContact O-N 2.86Å
78R94.9Very high94.3Very high183 Ų18368.3 Ų68.369%0.69134%0.34SS*.Hα-helixtrans-58-44.3174.7-176.3-177.4176.2-168.3-2.4111.9E74 Q75 V81 G82E74-R78 WeakPolarHBondContact O-CB 3.36Å; E74-R78 PolarHBondContact O-N 2.86Å; Q75-R78 PolarHBondContact O-N 3.37Å; R78-V81 PolarHBondContact O-N 3.47Å; R78-G82 PolarHBondContact O-N 3.32Å
79R95.8Very high94.5Very high67 Ų6766.4 Ų66.425%0.25332%0.324SS..Hα-helixtrans-60.7-45.9175-71.6170.3-174.7179.65.3111.7E31 V32 Q75 K76 F77 V81 G82 I83E31-R79 IonicContact OE1-CZ 3.5Å; E31-R79 IonicContact OE1-NE 2.85Å; E31-R79 PolarHBondContact OE1-NE 2.88Å; E31-R79 IonicContact OE1-NH2 3.16Å; E31-R79 PolarHBondContact OE1-NH2 2.91Å; V32-R79 HydrophobicContact CG2-CB 4.06Å; V32-R79 HydrophobicContact CG2-CG 3.87Å; Q75-R79 VanDerWaalsContact O-CG 3.32Å; Q75-R79 WeakPolarHBondContact O-CG 3.46Å; Q75-R79 PolarHBondContact O-N 3.41Å; K76-R79 PolarHBondContact O-N 3.42Å; F77-R79 VanDerWaalsContact C-N 3.33Å; F77-R79 PolarHBondContact O-N 2.94Å; R79-V81 VanDerWaalsContact C-N 3.34Å; R79-V81 PolarHBondContact O-N 2.97Å; R79-G82 PolarHBondContact O-N 3.33Å; R79-I83 WeakPolarHBondContact O-CB 3.41Å; R79-I83 VanDerWaalsContact O-CG1 3.24Å; R79-I83 WeakPolarHBondContact O-CG1 3.37Å; R79-I83 PolarHBondContact O-N 3.22Å
80L96Very high94.6Very high0 Ų063.3 Ų63.30%031%0.312CS..Hα-helixtrans-58.7-44.6176.8176.269.7000112.1F39 L40 Y55 L58 S59 L62 K76 F77 I83 Y84F39-L80 HydrophobicContact CD1-CD1 4.43Å; F39-L80 HydrophobicContact CE1-CB 4.03Å; F39-L80 HydrophobicContact CE1-CD1 3.82Å; L40-L80 HydrophobicContact CD1-CD1 3.56Å; Y55-L80 HydrophobicContact CD2-CD1 4.1Å; Y55-L80 HydrophobicContact CD2-CD2 4.17Å; Y55-L80 HydrophobicContact CD2-CG 3.83Å; Y55-L80 HydrophobicContact CE2-CD2 4.16Å; Y55-L80 HydrophobicContact CE2-CG 3.93Å; L58-L80 HydrophobicContact CB-CD1 3.86Å; L58-L80 HydrophobicContact CB-CD2 3.84Å; L58-L80 HydrophobicContact CD1-CD1 4.07Å; S59-L80 VanDerWaalsContact CA-CD2 3.48Å; S59-L80 VanDerWaalsContact N-CD2 3.34Å; L62-L80 HydrophobicContact CD1-CD2 4.37Å; K76-L80 WeakPolarHBondContact O-CB 3.04Å; K76-L80 PolarHBondContact O-N 3.46Å; F77-L80 WeakPolarHBondContact O-CB 3.36Å; F77-L80 PolarHBondContact O-N 3.38Å; L80-I83 PolarHBondContact O-N 3.28Å; L80-Y84 WeakPolarHBondContact O-CB 3.37Å; L80-Y84 PolarHBondContact O-N 2.91Å
81V96.3Very high94.7Very high36 Ų3667 Ų6722%0.21833%0.328CS..Hα-helixtrans-61.4-49176.71740000110.4Y55 F77 R78 R79 I83 Y84 E85Y55-V81 HydrophobicContact CE2-CG2 4.36Å; F77-V81 HydrophobicContact CD1-CG2 4.1Å; F77-V81 HydrophobicContact CE1-CG2 3.74Å; F77-V81 HydrophobicContact CZ-CG2 4.05Å; F77-V81 WeakPolarHBondContact O-CG2 3.43Å; F77-V81 PolarHBondContact O-N 2.86Å; R78-V81 PolarHBondContact O-N 3.47Å; R79-V81 VanDerWaalsContact C-N 3.34Å; R79-V81 PolarHBondContact O-N 2.97Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.2Å; V81-Y84 PolarHBondContact O-N 2.96Å; V81-E85 WeakPolarHBondContact O-CG 3.29Å; V81-E85 PolarHBondContact O-N 3.13Å
82G95.9Very high94.9Very high14 Ų1462.5 Ų62.514%0.14430%0.297CS..Hα-helixtrans-60.1-42.1177.700000113L28 R78 R79 Y84 E85 V86L28-G82 WeakPolarHBondContact CD2-O 3.32Å; R78-G82 PolarHBondContact O-N 3.32Å; R79-G82 PolarHBondContact O-N 3.33Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 2.71Å; G82-E85 PolarHBondContact O-N 3.21Å; G82-V86 WeakPolarHBondContact O-CG2 3.43Å; G82-V86 PolarHBondContact O-N 3.09Å
83I96.6Very high95.1Very high0 Ų061.6 Ų61.60%029%0.288CS..Hα-helixtrans-62.6-45.3178.3-73.4168.1000110.1L28 V32 F36 F39 R79 L80 V81 E85 V86 L87L28-I83 HydrophobicContact CD2-CG1 4.04Å; V32-I83 HydrophobicContact CG1-CD1 4.21Å; V32-I83 HydrophobicContact CG2-CD1 4.2Å; F36-I83 HydrophobicContact CB-CG2 3.79Å; F36-I83 HydrophobicContact CD1-CD1 3.98Å; F36-I83 HydrophobicContact CD1-CG1 3.71Å; F36-I83 HydrophobicContact CD2-CG1 4.35Å; F36-I83 HydrophobicContact CD2-CG2 4.44Å; F36-I83 HydrophobicContact CE1-CD1 4.36Å; F36-I83 HydrophobicContact CE1-CG1 3.91Å; F36-I83 HydrophobicContact CG-CB 4.49Å; F36-I83 HydrophobicContact CG-CG1 3.94Å; F36-I83 HydrophobicContact CG-CG2 4.04Å; F36-I83 HydrophobicContact CZ-CG1 4.3Å; F39-I83 HydrophobicContact CB-CD1 4.14Å; F39-I83 HydrophobicContact CD1-CD1 3.27Å; F39-I83 HydrophobicContact CD2-CD1 4.32Å; F39-I83 HydrophobicContact CE1-CD1 3.66Å; F39-I83 HydrophobicContact CG-CD1 3.65Å; F39-I83 HydrophobicContact CZ-CD1 4.34Å; R79-I83 WeakPolarHBondContact O-CB 3.41Å; R79-I83 VanDerWaalsContact O-CG1 3.24Å; R79-I83 WeakPolarHBondContact O-CG1 3.37Å; R79-I83 PolarHBondContact O-N 3.22Å; L80-I83 PolarHBondContact O-N 3.28Å; V81-I83 VanDerWaalsContact C-N 3.35Å; V81-I83 PolarHBondContact O-N 3.2Å; I83-E85 VanDerWaalsContact C-N 3.33Å; I83-E85 PolarHBondContact O-N 2.94Å; I83-V86 PolarHBondContact O-N 3.31Å; I83-L87 HydrophobicContact CG2-CD1 3.99Å; I83-L87 HydrophobicContact CG2-CG 4.44Å; I83-L87 WeakPolarHBondContact O-CG 3.21Å; I83-L87 PolarHBondContact O-N 3.36Å
84Y96.7Very high95.2Very high37 Ų3764.3 Ų64.315%0.14531%0.31CS..Hα-helixtrans-62-40.5176.8170.4-108.3000112I51 K52 Y55 L80 V81 G82 L87 K88I51-Y84 HydrophobicContact CG2-CD2 4.11Å; I51-Y84 HydrophobicContact CG2-CE2 4.47Å; K52-Y84 HydrophobicContact CB-CE2 4.3Å; K52-Y84 HydrophobicContact CG-CE2 4.47Å; Y55-Y84 HydrophobicContact CD1-CD1 4.06Å; Y55-Y84 HydrophobicContact CD1-CD2 4.09Å; Y55-Y84 HydrophobicContact CD1-CE1 4.18Å; Y55-Y84 HydrophobicContact CD1-CE2 4.22Å; Y55-Y84 HydrophobicContact CD1-CG 4Å; Y55-Y84 VanDerWaalsContact CD2-CB 3.47Å; Y55-Y84 HydrophobicContact CD2-CD1 4.19Å; Y55-Y84 HydrophobicContact CD2-CD2 4.19Å; Y55-Y84 AromaticContact CD2-CG 3.69Å; Y55-Y84 HydrophobicContact CD2-CG 3.69Å; Y55-Y84 HydrophobicContact CE1-CD1 4.05Å; Y55-Y84 HydrophobicContact CE1-CE1 4.18Å; Y55-Y84 HydrophobicContact CE1-CG 4.38Å; Y55-Y84 HydrophobicContact CE2-CD1 4.18Å; Y55-Y84 HydrophobicContact CE2-CG 4.1Å; Y55-Y84 HydrophobicContact CG-CD1 4.13Å; Y55-Y84 AromaticContact CG-CD2 3.71Å; Y55-Y84 HydrophobicContact CG-CD2 3.71Å; Y55-Y84 HydrophobicContact CG-CE2 4.26Å; Y55-Y84 AromaticContact CG-CG 3.63Å; Y55-Y84 HydrophobicContact CG-CG 3.63Å; L80-Y84 WeakPolarHBondContact O-CB 3.37Å; L80-Y84 PolarHBondContact O-N 2.91Å; V81-Y84 PolarHBondContact O-N 2.96Å; G82-Y84 VanDerWaalsContact C-N 3.34Å; G82-Y84 PolarHBondContact O-N 2.71Å; Y84-L87 PolarHBondContact O-N 3.21Å; Y84-K88 HydrophobicContact CE1-CD 4.1Å; Y84-K88 HydrophobicContact CE2-CB 4.4Å; Y84-K88 WeakPolarHBondContact O-CB 3.46Å; Y84-K88 PolarHBondContact O-N 2.8Å
85E95.9Very high95.2Very high108 Ų10860 Ų6051%0.50529%0.289SS..Hα-helixtrans-62.3-42.1177.1-74.2176.2175.500112.6V81 G82 I83V81-E85 WeakPolarHBondContact O-CG 3.29Å; V81-E85 PolarHBondContact O-N 3.13Å; G82-E85 PolarHBondContact O-N 3.21Å; I83-E85 VanDerWaalsContact C-N 3.33Å; I83-E85 PolarHBondContact O-N 2.94Å
86V96.1Very high95.3Very high7 Ų755.1 Ų55.14%0.04227%0.266CS..Hα-helixtrans-62.7-50.9174.9171.10000111.1M25 L28 F36 G82 I83 K88 L92 R93 Y96M25-V86 HydrophobicContact CB-CG2 3.88Å; M25-V86 HydrophobicContact CG-CB 4.42Å; M25-V86 HydrophobicContact CG-CG1 3.72Å; M25-V86 HydrophobicContact CG-CG2 3.75Å; L28-V86 HydrophobicContact CD2-CG2 4.11Å; F36-V86 HydrophobicContact CD2-CB 4.49Å; F36-V86 HydrophobicContact CD2-CG1 4.15Å; F36-V86 HydrophobicContact CE2-CB 4.28Å; F36-V86 HydrophobicContact CE2-CG1 4.03Å; F36-V86 HydrophobicContact CE2-CG2 4.32Å; G82-V86 WeakPolarHBondContact O-CG2 3.43Å; G82-V86 PolarHBondContact O-N 3.09Å; I83-V86 PolarHBondContact O-N 3.31Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 2.63Å; V86-L92 HydrophobicContact CG1-CB 4.42Å; V86-R93 PolarHBondContact O-N 3.25Å; V86-Y96 HydrophobicContact CG1-CG 4.36Å
87L96.1Very high95.4Very high1 Ų153.4 Ų53.41%0.00526%0.261CS..Hα-helixtrans-74.5-21.1-175.5-66.1-177.4000113.7F36 Y37 L40 I51 I83 Y84 R93 Y96F36-L87 HydrophobicContact CB-CD1 4.16Å; F36-L87 HydrophobicContact CB-CD2 4.47Å; F36-L87 HydrophobicContact CB-CG 4.45Å; Y37-L87 HydrophobicContact CD1-CD1 4.19Å; Y37-L87 HydrophobicContact CD1-CD2 4.28Å; Y37-L87 HydrophobicContact CE1-CD1 4.26Å; Y37-L87 HydrophobicContact CE1-CD2 3.63Å; Y37-L87 HydrophobicContact CE2-CD2 4.44Å; L40-L87 HydrophobicContact CD2-CD1 4.38Å; I51-L87 HydrophobicContact CD1-CB 4.3Å; I51-L87 HydrophobicContact CG2-CB 4.01Å; I83-L87 HydrophobicContact CG2-CD1 3.99Å; I83-L87 HydrophobicContact CG2-CG 4.44Å; I83-L87 WeakPolarHBondContact O-CG 3.21Å; I83-L87 PolarHBondContact O-N 3.36Å; Y84-L87 PolarHBondContact O-N 3.21Å; L87-R93 HydrophobicContact CD2-CG 4.2Å; L87-Y96 HydrophobicContact CD2-CD1 4.15Å
88K95.1Very high95.3Very high117 Ų11756.4 Ų56.451%0.50928%0.275SS..Hα-helixtrans-70.7-37.4177176.1-169.8172.2-161.70112Y84 V86Y84-K88 HydrophobicContact CE1-CD 4.1Å; Y84-K88 HydrophobicContact CE2-CB 4.4Å; Y84-K88 WeakPolarHBondContact O-CB 3.46Å; Y84-K88 PolarHBondContact O-N 2.8Å; V86-K88 VanDerWaalsContact C-N 3.32Å; V86-K88 PolarHBondContact O-N 2.63Å
89N94.6Very high95.2Very high62 Ų6248.4 Ų48.433%0.33225%0.247SC..SBendtrans-87.4120.9-179.3-177-17.6000109.9E91 L92 R93N89-E91 VanDerWaalsContact C-N 3.25Å; N89-E91 PolarHBondContact O-N 2.7Å; N89-E91 PolarHBondContact OD1-N 3.07Å; N89-L92 HydrophobicContact CB-CB 4.15Å; N89-L92 HydrophobicContact CB-CD1 4.13Å; N89-L92 HydrophobicContact CB-CG 4.2Å; N89-L92 PolarHBondContact O-N 2.77Å; N89-R93 VanDerWaalsContact O-CB 3.31Å; N89-R93 WeakPolarHBondContact O-CB 3.17Å; N89-R93 PolarHBondContact O-N 3.07Å
90P94.6Very high95.1Very high89 Ų8948.4 Ų48.458%0.57825%0.251SS*.Hα-helixtrans-58.8-34-179.224.4-34.7000113.5A94P90-A94 WeakPolarHBondContact O-CB 3.3Å; P90-A94 PolarHBondContact O-N 3.01Å
91E93.7Very high95Very high132 Ų13255 Ų5562%0.61729%0.286SS*.Hα-helixtrans-72.1-43.3-179.8-63.5-177.6-178.100112.3N89 A94 K95N89-E91 VanDerWaalsContact C-N 3.25Å; N89-E91 PolarHBondContact O-N 2.7Å; N89-E91 PolarHBondContact OD1-N 3.07Å; E91-A94 PolarHBondContact O-N 3.49Å; E91-K95 WeakPolarHBondContact O-CG 3.22Å; E91-K95 PolarHBondContact O-N 2.85Å; E91-K95 VanDerWaalsContact O-N 3.14Å
92L94.8Very high94.8Very high21 Ų2159 Ų5911%0.1131%0.306CS..Hα-helixtrans-69.6-36.4176.3-67.3178000111.3E22 V86 N89 K95 Y96E22-L92 HydrophobicContact CG-CD2 4.01Å; V86-L92 HydrophobicContact CG1-CB 4.42Å; N89-L92 HydrophobicContact CB-CB 4.15Å; N89-L92 HydrophobicContact CB-CD1 4.13Å; N89-L92 HydrophobicContact CB-CG 4.2Å; N89-L92 PolarHBondContact O-N 2.77Å; L92-K95 PolarHBondContact O-N 3.07Å; L92-Y96 WeakPolarHBondContact O-CB 3.48Å; L92-Y96 PolarHBondContact O-N 3.44Å
93R95.6Very high94.6Very high34 Ų3460 Ų6013%0.12832%0.316CS..Hα-helixtrans-60.8-46.1173.3-175.5177.7179.6174.8-0.8111.5Y37 Q44 A46 V86 L87 N89 K95 Y96 D97Y37-R93 WeakPolarHBondContact OH-CG 3.12Å; Y37-R93 PolarHBondContact OH-NE 3Å; Q44-R93 PolarHBondContact O-NH2 2.87Å; A46-R93 PolarHBondContact O-NH1 2.81Å; A46-R93 PolarHBondContact O-NH2 2.84Å; V86-R93 PolarHBondContact O-N 3.25Å; L87-R93 HydrophobicContact CD2-CG 4.2Å; N89-R93 VanDerWaalsContact O-CB 3.31Å; N89-R93 WeakPolarHBondContact O-CB 3.17Å; N89-R93 PolarHBondContact O-N 3.07Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.27Å; R93-Y96 WeakPolarHBondContact O-CB 3.29Å; R93-Y96 PolarHBondContact O-N 2.93Å; R93-D97 PolarHBondContact O-N 3.47Å
94A94.7Very high94.3Very high59 Ų5963.5 Ų63.549%0.48833%0.334SS..Hα-helixtrans-60.7-41.4176.800000112.2P90 E91 D97 E98P90-A94 WeakPolarHBondContact O-CB 3.3Å; P90-A94 PolarHBondContact O-N 3.01Å; E91-A94 PolarHBondContact O-N 3.49Å; A94-D97 PolarHBondContact O-N 3.5Å; A94-E98 PolarHBondContact O-N 3.32Å
95K93.1Very high94Very high61 Ų6163.2 Ų63.227%0.26534%0.337SS..Hα-helixtrans-66.8-36.8174.7-71.2175.8-177.81600112.5E22 M25 E91 L92 R93 E98 V99E22-K95 HydrophobicContact CG-CD 3.57Å; E22-K95 IonicContact OE1-NZ 2.62Å; E22-K95 PolarHBondContact OE1-NZ 3.18Å; E22-K95 IonicContact OE2-NZ 3.92Å; M25-K95 HydrophobicContact SD-CB 4.47Å; E91-K95 WeakPolarHBondContact O-CG 3.22Å; E91-K95 PolarHBondContact O-N 2.85Å; E91-K95 VanDerWaalsContact O-N 3.14Å; L92-K95 PolarHBondContact O-N 3.07Å; R93-K95 VanDerWaalsContact C-N 3.33Å; R93-K95 PolarHBondContact O-N 3.27Å; K95-E98 WeakPolarHBondContact O-CB 3.43Å; K95-E98 PolarHBondContact O-N 3.49Å; K95-V99 WeakPolarHBondContact O-CG2 3.11Å; K95-V99 PolarHBondContact O-N 3.2Å
96Y95.9Very high93.7Very high3 Ų360.9 Ų60.91%0.01233%0.333CS..Hα-helixtrans-64.8-42.9173.3176.8-109.5000111.8M25 V29 N35 F36 Y37 V86 L87 L92 R93 E98 V99 L100M25-Y96 HydrophobicContact SD-CD2 4.4Å; V29-Y96 HydrophobicContact CG2-CD2 3.74Å; V29-Y96 HydrophobicContact CG2-CE2 3.62Å; N35-Y96 WeakPolarHBondContact CA-OH 3.38Å; N35-Y96 PolarHBondContact OD1-OH 2.98Å; F36-Y96 HydrophobicContact CB-CE1 3.71Å; F36-Y96 HydrophobicContact CB-CE2 4.48Å; F36-Y96 HydrophobicContact CD1-CE2 4.23Å; F36-Y96 HydrophobicContact CD2-CD1 4.08Å; F36-Y96 AromaticContact CD2-CD2 3.72Å; F36-Y96 HydrophobicContact CD2-CD2 3.72Å; F36-Y96 AromaticContact CD2-CE1 3.79Å; F36-Y96 HydrophobicContact CD2-CE1 3.79Å; F36-Y96 AromaticContact CD2-CE2 3.45Å; F36-Y96 HydrophobicContact CD2-CE2 3.45Å; F36-Y96 VanDerWaalsContact CD2-CE2 3.45Å; F36-Y96 HydrophobicContact CD2-CG 4.03Å; F36-Y96 AromaticContact CD2-CZ 3.48Å; F36-Y96 VanDerWaalsContact CD2-CZ 3.48Å; F36-Y96 HydrophobicContact CE1-CE2 4.36Å; F36-Y96 AromaticContact CE2-CD2 3.71Å; F36-Y96 HydrophobicContact CE2-CD2 3.71Å; F36-Y96 AromaticContact CE2-CE2 3.6Å; F36-Y96 HydrophobicContact CE2-CE2 3.6Å; F36-Y96 HydrophobicContact CE2-CG 4.34Å; F36-Y96 AromaticContact CG-CE1 3.92Å; F36-Y96 HydrophobicContact CG-CE1 3.92Å; F36-Y96 AromaticContact CG-CE2 3.81Å; F36-Y96 HydrophobicContact CG-CE2 3.81Å; F36-Y96 AromaticContact CG-CZ 3.45Å; F36-Y96 VanDerWaalsContact CG-CZ 3.45Å; F36-Y96 WeakPolarHBondContact CG-OH 3.28Å; F36-Y96 HydrophobicContact CZ-CD2 4.48Å; F36-Y96 HydrophobicContact CZ-CE2 4.08Å; F36-Y96 PolarHBondContact N-OH 3.25Å; Y37-Y96 AromaticContact CD2-CE1 4Å; Y37-Y96 HydrophobicContact CD2-CE1 4Å; Y37-Y96 AromaticContact CE2-CD1 3.94Å; Y37-Y96 HydrophobicContact CE2-CD1 3.94Å; Y37-Y96 AromaticContact CE2-CE1 3.66Å; Y37-Y96 HydrophobicContact CE2-CE1 3.66Å; V86-Y96 HydrophobicContact CG1-CG 4.36Å; L87-Y96 HydrophobicContact CD2-CD1 4.15Å; L92-Y96 WeakPolarHBondContact O-CB 3.48Å; L92-Y96 PolarHBondContact O-N 3.44Å; R93-Y96 WeakPolarHBondContact O-CB 3.29Å; R93-Y96 PolarHBondContact O-N 2.93Å; Y96-E98 VanDerWaalsContact C-N 3.28Å; Y96-E98 PolarHBondContact O-N 2.96Å; Y96-V99 CarbonylContact O-C 3.2Å; Y96-V99 WeakPolarHBondContact O-CA 3.5Å; Y96-V99 WeakPolarHBondContact O-CB 3.48Å; Y96-V99 PolarHBondContact O-N 3.25Å; Y96-L100 HydrophobicContact CD1-CD1 4.13Å; Y96-L100 HydrophobicContact CD1-CG 4.46Å; Y96-L100 HydrophobicContact CE1-CD1 3.58Å; Y96-L100 HydrophobicContact CE1-CD2 4.35Å; Y96-L100 HydrophobicContact CE1-CG 3.96Å; Y96-L100 HydrophobicContact CE2-CD2 4.44Å; Y96-L100 HydrophobicContact CE2-CG 4.39Å; Y96-L100 PolarHBondContact O-N 3.16Å
97D95.6Very high93.4Very high39 Ų3967.9 Ų67.921%0.20936%0.358CS..Hα-helixtrans-62.1-36.9174.6-69.8-33.2000111.4Y37 Q44 R93 A94 L100 I101Y37-D97 VanDerWaalsContact CE2-OD1 3.24Å; Y37-D97 WeakPolarHBondContact CE2-OD1 3.36Å; Y37-D97 PolarHBondContact OH-OD1 3.03Å; Y37-D97 PolarHBondContact OH-OD2 3.16Å; Q44-D97 PolarHBondContact NE2-OD1 3.14Å; R93-D97 PolarHBondContact O-N 3.47Å; A94-D97 PolarHBondContact O-N 3.5Å; D97-L100 WeakPolarHBondContact O-CB 3.27Å; D97-L100 PolarHBondContact O-N 3.02Å; D97-I101 PolarHBondContact O-N 3.5Å
98E93.4Very high93.2Very high114 Ų11477.2 Ų77.253%0.53339%0.394SS..Hα-helixtrans-61.8-41.6170.7-172.1-176.3171.800111.9A94 K95 Y96 L100 I101 N102A94-E98 PolarHBondContact O-N 3.32Å; K95-E98 WeakPolarHBondContact O-CB 3.43Å; K95-E98 PolarHBondContact O-N 3.49Å; Y96-E98 VanDerWaalsContact C-N 3.28Å; Y96-E98 PolarHBondContact O-N 2.96Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 PolarHBondContact O-N 3.39Å; E98-I101 PolarHBondContact O-N 3.04Å; E98-N102 WeakPolarHBondContact CG-ND2 3.4Å; E98-N102 WeakPolarHBondContact O-CB 3.29Å; E98-N102 PolarHBondContact O-N 3.43Å
99V93.1Very high92.9Very high15 Ų1574 Ų749%0.09138%0.384CS..Hα-helixtrans-65.1-32.5175.4169.60000112.3M25 F26 V29 K95 Y96 I101 G103 L104M25-V99 HydrophobicContact CE-CG2 3.9Å; F26-V99 HydrophobicContact CD1-CG2 4.09Å; F26-V99 HydrophobicContact CE1-CG2 3.54Å; V29-V99 HydrophobicContact CG1-CG1 4.33Å; K95-V99 WeakPolarHBondContact O-CG2 3.11Å; K95-V99 PolarHBondContact O-N 3.2Å; Y96-V99 CarbonylContact O-C 3.2Å; Y96-V99 WeakPolarHBondContact O-CA 3.5Å; Y96-V99 WeakPolarHBondContact O-CB 3.48Å; Y96-V99 PolarHBondContact O-N 3.25Å; V99-I101 VanDerWaalsContact C-N 3.26Å; V99-I101 PolarHBondContact O-N 2.98Å; V99-G103 CarbonylContact O-C 3.45Å; V99-G103 WeakPolarHBondContact O-CA 3.37Å; V99-G103 PolarHBondContact O-N 3.22Å; V99-L104 HydrophobicContact CG1-CG 4.24Å
100L93.2Very high92.6Very high67 Ų6774.5 Ų74.535%0.35139%0.39SS..Hα-helixtrans-65.3-32.1174.6-73.8174.9000112.3Y37 Y96 D97 E98Y37-L100 HydrophobicContact CD2-CD1 4.1Å; Y37-L100 HydrophobicContact CE2-CD1 3.84Å; Y96-L100 HydrophobicContact CD1-CD1 4.13Å; Y96-L100 HydrophobicContact CD1-CG 4.46Å; Y96-L100 HydrophobicContact CE1-CD1 3.58Å; Y96-L100 HydrophobicContact CE1-CD2 4.35Å; Y96-L100 HydrophobicContact CE1-CG 3.96Å; Y96-L100 HydrophobicContact CE2-CD2 4.44Å; Y96-L100 HydrophobicContact CE2-CG 4.39Å; Y96-L100 PolarHBondContact O-N 3.16Å; D97-L100 WeakPolarHBondContact O-CB 3.27Å; D97-L100 PolarHBondContact O-N 3.02Å; E98-L100 VanDerWaalsContact C-N 3.31Å; E98-L100 PolarHBondContact O-N 3.39Å
101I93.3Very high92.4Very high140 Ų14070.8 Ų70.872%0.71837%0.366SS*.Hα-helixtrans-85.2-50.1179.9-61.3168000111.1D97 E98 V99D97-I101 PolarHBondContact O-N 3.5Å; E98-I101 PolarHBondContact O-N 3.04Å; V99-I101 VanDerWaalsContact C-N 3.26Å; V99-I101 PolarHBondContact O-N 2.98Å
102N92.3Very high92.2Very high119 Ų11967.7 Ų67.764%0.63635%0.351SS*.Hα-helixtrans-92.5-14-171.9-67.6-33.6000113.6E98E98-N102 WeakPolarHBondContact CG-ND2 3.4Å; E98-N102 WeakPolarHBondContact O-CB 3.29Å; E98-N102 PolarHBondContact O-N 3.43Å
103G92.1Very high91.9Very high36 Ų3672.1 Ų72.137%0.37137%0.367SS..  trans80.3178-168.900000113.2V99V99-G103 CarbonylContact O-C 3.45Å; V99-G103 WeakPolarHBondContact O-CA 3.37Å; V99-G103 PolarHBondContact O-N 3.22Å
104L91.4Very high91.6Very high72 Ų7276.4 Ų76.438%0.37739%0.387SS..SBendtrans-65.1148.1174.5-79.6116.8000111.4F26 V29 E30 V99 S106F26-L104 HydrophobicContact CB-CD2 4.32Å; F26-L104 HydrophobicContact CD1-CD2 4.44Å; V29-L104 HydrophobicContact CB-CD2 4.4Å; V29-L104 HydrophobicContact CG1-CD1 3.88Å; V29-L104 HydrophobicContact CG1-CD2 4.39Å; V29-L104 HydrophobicContact CG1-CG 4.21Å; E30-L104 HydrophobicContact CB-CD2 4.46Å; V99-L104 HydrophobicContact CG1-CG 4.24Å; L104-S106 PolarHBondContact O-N 3.4Å; L104-S106 VanDerWaalsContact O-N 3.1Å
105P89.2Confident91.3Very high32 Ų3274.7 Ų74.721%0.20837%0.367CS..PPolyproline II helixtrans-54.2118.1173.8-24.232.5000112F26 T109 V111F26-P105 HydrophobicContact CD1-CG 3.96Å; F26-P105 VanDerWaalsContact CE1-CD 3.43Å; F26-P105 HydrophobicContact CE1-CG 3.47Å; F26-P105 VanDerWaalsContact CE1-CG 3.47Å; F26-P105 HydrophobicContact CE2-CG 4.18Å; F26-P105 HydrophobicContact CZ-CG 3.63Å; P105-T109 HydrophobicContact CB-CG2 4.47Å; P105-T109 VanDerWaalsContact CB-OG1 3.25Å; P105-T109 WeakPolarHBondContact CB-OG1 3.45Å; P105-V111 HydrophobicContact CB-CB 3.99Å; P105-V111 HydrophobicContact CB-CG1 4.38Å; P105-V111 HydrophobicContact CB-CG2 4.24Å; P105-V111 HydrophobicContact CG-CB 4.41Å; P105-V111 HydrophobicContact CG-CG1 4.36Å; P105-V111 HydrophobicContact CG-CG2 4.47Å
106S89.6Confident91.1Very high59 Ų5977.2 Ų77.241%0.41338%0.378SS..PPolyproline II helixtrans-77.9173.1-178.870.90000112.6L104 R108 T109L104-S106 PolarHBondContact O-N 3.4Å; L104-S106 VanDerWaalsContact O-N 3.1Å; S106-R108 PolarHBondContact O-N 2.9Å; S106-T109 PolarHBondContact O-N 3.34Å; S106-T109 PolarHBondContact O-OG1 3.07Å
107W90.1Very high90.7Very high153 Ų15381.1 Ų81.158%0.5840%0.399SS*.THydrogen-bonded Turntrans-55.5-17.8178.467.2-94000115T109 F112 Y113W107-T109 VanDerWaalsContact C-N 3.3Å; W107-F112 HydrophobicContact CB-CD1 4.05Å; W107-F112 HydrophobicContact CB-CE1 4.13Å; W107-F112 HydrophobicContact CB-CG 4.35Å; W107-Y113 WeakPolarHBondContact O-CE2 3.41Å; W107-Y113 PolarHBondContact O-OH 3.17Å
108R91.3Very high90.2Very high198 Ų19885 Ų8575%0.74741%0.411SS*.THydrogen-bonded Turntrans-75.1-21175.9-64.5-178.1178.5166.1-0.9113.1S106S106-R108 PolarHBondContact O-N 2.9Å
109T89.1Confident89.8Confident48 Ų4885.7 Ų85.729%0.29441%0.412SS..SBendtrans-89.2143.8177.560.20000110.2P105 S106 W107 V111 F112P105-T109 HydrophobicContact CB-CG2 4.47Å; P105-T109 VanDerWaalsContact CB-OG1 3.25Å; P105-T109 WeakPolarHBondContact CB-OG1 3.45Å; S106-T109 PolarHBondContact O-N 3.34Å; S106-T109 PolarHBondContact O-OG1 3.07Å; W107-T109 VanDerWaalsContact C-N 3.3Å; T109-V111 PolarHBondContact O-N 3.39Å; T109-V111 VanDerWaalsContact O-N 3.13Å; T109-F112 WeakPolarHBondContact O-CB 3.43Å; T109-F112 PolarHBondContact O-N 3.43Å
110P89.2Confident89.6Confident73 Ų7387 Ų8747%0.47442%0.418SS..Hα-helixtrans-63.3-21.8178.320.8-25.7000112.1W18 F112 Y113 F114W18-P110 HydrophobicContact CH2-CB 3.68Å; W18-P110 HydrophobicContact CH2-CG 3.68Å; W18-P110 HydrophobicContact CZ2-CB 4.32Å; W18-P110 HydrophobicContact CZ2-CG 3.8Å; P110-F112 PolarHBondContact O-N 3.22Å; P110-Y113 PolarHBondContact O-N 3.36Å; P110-F114 HydrophobicContact CB-CD2 4.34Å; P110-F114 HydrophobicContact CB-CE2 4.22Å; P110-F114 VanDerWaalsContact O-CD2 3.27Å; P110-F114 WeakPolarHBondContact O-CD2 3.15Å; P110-F114 PolarHBondContact O-N 3.48Å; P110-F114 VanDerWaalsContact O-N 3.16Å
111V88.9Confident89.4Confident11 Ų1186.5 Ų86.57%0.06742%0.42CS..Hα-helixtrans-53.1-43.8-179.9-170.80000111.4W18 L23 F26 P105 T109 Y113 F114 R115W18-V111 HydrophobicContact CD2-CB 4.36Å; W18-V111 HydrophobicContact CD2-CG1 4.37Å; W18-V111 HydrophobicContact CD2-CG2 3.64Å; W18-V111 HydrophobicContact CE3-CB 3.98Å; W18-V111 HydrophobicContact CE3-CG1 3.93Å; W18-V111 HydrophobicContact CE3-CG2 3.76Å; W18-V111 HydrophobicContact CH2-CB 3.79Å; W18-V111 HydrophobicContact CH2-CG2 3.39Å; W18-V111 HydrophobicContact CZ2-CB 4.05Å; W18-V111 HydrophobicContact CZ2-CG2 3.12Å; W18-V111 HydrophobicContact CZ3-CB 3.75Å; W18-V111 HydrophobicContact CZ3-CG1 4.14Å; W18-V111 HydrophobicContact CZ3-CG2 3.7Å; W18-V111 VanDerWaalsContact CZ3-N 3.33Å; L23-V111 HydrophobicContact CD2-CG1 3.94Å; F26-V111 HydrophobicContact CD2-CG1 3.9Å; F26-V111 HydrophobicContact CE2-CG1 3.8Å; P105-V111 HydrophobicContact CB-CB 3.99Å; P105-V111 HydrophobicContact CB-CG1 4.38Å; P105-V111 HydrophobicContact CB-CG2 4.24Å; P105-V111 HydrophobicContact CG-CB 4.41Å; P105-V111 HydrophobicContact CG-CG1 4.36Å; P105-V111 HydrophobicContact CG-CG2 4.47Å; T109-V111 PolarHBondContact O-N 3.39Å; T109-V111 VanDerWaalsContact O-N 3.13Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-Y113 PolarHBondContact O-N 2.82Å; V111-F114 PolarHBondContact O-N 3.31Å; V111-R115 VanDerWaalsContact O-CB 3.29Å; V111-R115 WeakPolarHBondContact O-CB 2.91Å; V111-R115 PolarHBondContact O-N 2.89Å
112F89.5Confident89.3Confident67 Ų6786.3 Ų86.329%0.29442%0.42SS..Hα-helixtrans-55.7-48.2179.1-179.1-95.7000112.2W107 T109 P110 R115 K116W107-F112 HydrophobicContact CB-CD1 4.05Å; W107-F112 HydrophobicContact CB-CE1 4.13Å; W107-F112 HydrophobicContact CB-CG 4.35Å; T109-F112 WeakPolarHBondContact O-CB 3.43Å; T109-F112 PolarHBondContact O-N 3.43Å; P110-F112 PolarHBondContact O-N 3.22Å; F112-R115 PolarHBondContact O-N 3.31Å; F112-K116 PolarHBondContact O-N 3.3Å
113Y90.1Very high89.4Confident114 Ų11489.9 Ų89.945%0.44743%0.426SS..Hα-helixtrans-70.6-43.5-177.5-62-74.4000112.2W107 P110 V111 R115 K116 L117W107-Y113 WeakPolarHBondContact O-CE2 3.41Å; W107-Y113 PolarHBondContact O-OH 3.17Å; P110-Y113 PolarHBondContact O-N 3.36Å; V111-Y113 VanDerWaalsContact C-N 3.33Å; V111-Y113 PolarHBondContact O-N 2.82Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 2.93Å; Y113-K116 PolarHBondContact O-N 3.42Å; Y113-L117 WeakPolarHBondContact O-CB 3.2Å; Y113-L117 WeakPolarHBondContact O-CD1 3.46Å; Y113-L117 PolarHBondContact O-N 3.36Å
114F88.7Confident89.4Confident124 Ų12493.1 Ų93.154%0.54443%0.432SS..Hα-helixtrans-61-39.8176.9-78.3-76.9000112.2W18 P110 V111 L117 R118W18-F114 HydrophobicContact CE3-CD2 4.44Å; W18-F114 AromaticContact CH2-CD2 3.76Å; W18-F114 HydrophobicContact CH2-CD2 3.76Å; W18-F114 HydrophobicContact CH2-CE2 4.19Å; W18-F114 HydrophobicContact CZ3-CB 3.96Å; W18-F114 AromaticContact CZ3-CD2 3.34Å; W18-F114 HydrophobicContact CZ3-CD2 3.34Å; W18-F114 HydrophobicContact CZ3-CE2 4.09Å; W18-F114 AromaticContact CZ3-CG 3.93Å; W18-F114 HydrophobicContact CZ3-CG 3.93Å; P110-F114 HydrophobicContact CB-CD2 4.34Å; P110-F114 HydrophobicContact CB-CE2 4.22Å; P110-F114 VanDerWaalsContact O-CD2 3.27Å; P110-F114 WeakPolarHBondContact O-CD2 3.15Å; P110-F114 PolarHBondContact O-N 3.48Å; P110-F114 VanDerWaalsContact O-N 3.16Å; V111-F114 PolarHBondContact O-N 3.31Å; F114-L117 PolarHBondContact O-N 3.4Å; F114-R118 PolarHBondContact O-N 2.82Å; F114-R118 VanDerWaalsContact O-N 3.07Å
115R89.3Confident89.4Confident23 Ų2392.5 Ų92.59%0.08743%0.428CS..Hα-helixtrans-65.3-41176.3-165.1162.672.191.3-2112.1D27 E30 V111 F112 Y113D27-R115 WeakPolarHBondContact OD1-CD 2.97Å; D27-R115 VanDerWaalsContact OD1-CG 3.29Å; D27-R115 WeakPolarHBondContact OD1-CG 3.38Å; D27-R115 IonicContact OD1-CZ 3.17Å; D27-R115 IonicContact OD1-NE 2.77Å; D27-R115 IonicContact OD1-NH1 2.63Å; D27-R115 PolarHBondContact OD1-NH1 3.38Å; E30-R115 IonicContact OE2-CZ 3.76Å; E30-R115 IonicContact OE2-NH1 2.8Å; E30-R115 PolarHBondContact OE2-NH1 3.36Å; E30-R115 IonicContact OE2-NH2 3.73Å; E30-R115 PolarHBondContact OE2-NH2 2.97Å; V111-R115 VanDerWaalsContact O-CB 3.29Å; V111-R115 WeakPolarHBondContact O-CB 2.91Å; V111-R115 PolarHBondContact O-N 2.89Å; F112-R115 PolarHBondContact O-N 3.31Å; Y113-R115 VanDerWaalsContact C-N 3.29Å; Y113-R115 PolarHBondContact O-N 2.93Å
116K87.5Confident89.6Confident114 Ų11497.6 Ų97.650%0.49645%0.448SS..Hα-helixtrans-63.7-49.1173.3-168171.9-177179.40111F112 Y113 R118 K119 M120F112-K116 PolarHBondContact O-N 3.3Å; Y113-K116 PolarHBondContact O-N 3.42Å; K116-R118 VanDerWaalsContact C-N 3.29Å; K116-R118 PolarHBondContact O-N 3.06Å; K116-K119 PolarHBondContact O-N 3.27Å; K116-M120 HydrophobicContact CG-CG 3.97Å; K116-M120 HydrophobicContact CG-SD 4.08Å; K116-M120 WeakPolarHBondContact O-CG 3.47Å; K116-M120 PolarHBondContact O-N 3.37Å
117L87.8Confident89.8Confident86 Ų8696.6 Ų96.645%0.4545%0.447SS..Hα-helixtrans-57.3-37.8-179.9-97.471.1000113Y113 F114 K119 M120Y113-L117 WeakPolarHBondContact O-CB 3.2Å; Y113-L117 WeakPolarHBondContact O-CD1 3.46Å; Y113-L117 PolarHBondContact O-N 3.36Å; F114-L117 PolarHBondContact O-N 3.4Å; L117-K119 VanDerWaalsContact C-N 3.3Å; L117-K119 PolarHBondContact O-N 3.11Å; L117-M120 PolarHBondContact O-N 2.93Å
118R85.3Confident89.9Confident120 Ų12093.9 Ų93.945%0.45344%0.443SS..Hα-helixtrans-66-31.2177.6-160.5-166.6-36.311417.1113.4L23 D27 F114 K116L23-R118 VanDerWaalsContact CD1-NH2 3.3Å; D27-R118 IonicContact OD2-NH1 3.81Å; D27-R118 PolarHBondContact OD2-NH1 3.36Å; F114-R118 PolarHBondContact O-N 2.82Å; F114-R118 VanDerWaalsContact O-N 3.07Å; K116-R118 VanDerWaalsContact C-N 3.29Å; K116-R118 PolarHBondContact O-N 3.06Å
119K85.6Confident90Very high129 Ų12990.9 Ų90.956%0.56144%0.435SS*.Hα-helixtrans-89.4-18.6179.1-64.6-177.9-175.9178.20112.7D27 K116 L117D27-K119 WeakPolarHBondContact OD1-CE 3.45Å; D27-K119 IonicContact OD1-NZ 3.81Å; D27-K119 PolarHBondContact OD1-NZ 2.85Å; D27-K119 IonicContact OD2-NZ 3.88Å; K116-K119 PolarHBondContact O-N 3.27Å; L117-K119 VanDerWaalsContact C-N 3.3Å; L117-K119 PolarHBondContact O-N 3.11Å
120M87.7Confident90.3Very high41 Ų4192 Ų9220%0.20244%0.436CS..SBendtrans-70.3143.6-177.4-66.5-103.9-67.400110.7K116 L117 E124 L128K116-M120 HydrophobicContact CG-CG 3.97Å; K116-M120 HydrophobicContact CG-SD 4.08Å; K116-M120 WeakPolarHBondContact O-CG 3.47Å; K116-M120 PolarHBondContact O-N 3.37Å; L117-M120 PolarHBondContact O-N 2.93Å; M120-E124 VanDerWaalsContact CA-OE2 3.23Å; M120-E124 WeakPolarHBondContact CA-OE2 3.39Å; M120-E124 HydrophobicContact CB-CB 4.39Å; M120-E124 VanDerWaalsContact CB-OE2 3.31Å; M120-E124 WeakPolarHBondContact CB-OE2 3.47Å; M120-E124 HydrophobicContact CE-CB 3.66Å; M120-E124 HydrophobicContact SD-CB 4.26Å; M120-L128 HydrophobicContact CE-CD1 3.64Å; M120-L128 HydrophobicContact CE-CG 4.49Å
121S90.6Very high90.5Very high57 Ų5790 Ų9040%0.39943%0.429SS..  trans-69.9150.2175.5-179.20000110.7Y123 E124 L125S121-Y123 PolarHBondContact O-N 3.26Å; S121-E124 PolarHBondContact N-OE2 2.84Å; S121-E124 PolarHBondContact O-N 3.43Å; S121-L125 PolarHBondContact O-N 2.88Å; S121-L125 VanDerWaalsContact O-N 3.11Å
122N91.1Very high90.8Very high136 Ų13695 Ų9573%0.72745%0.453SS*.Hα-helixtrans-52.9-31.3176.1-71.4-28.3000112.4F126N122-F126 WeakPolarHBondContact O-CB 3.42Å; N122-F126 PolarHBondContact O-N 3.02Å
123Y93.8Very high91Very high195 Ų19593.7 Ų93.777%0.76545%0.454SS*.Hα-helixtrans-71.2-37.2176.7-57-70.8000113.3S121 L125 F126 G127S121-Y123 PolarHBondContact O-N 3.26Å; Y123-L125 VanDerWaalsContact C-N 3.35Å; Y123-F126 PolarHBondContact O-N 3.16Å; Y123-G127 PolarHBondContact O-N 2.97Å
124E92.4Very high91.2Very high104 Ų10489.4 Ų89.449%0.48644%0.44SS..Hα-helixtrans-67.7-40.9176.1-62.4176.4143.700110.3M120 S121 G127 L128M120-E124 VanDerWaalsContact CA-OE2 3.23Å; M120-E124 WeakPolarHBondContact CA-OE2 3.39Å; M120-E124 HydrophobicContact CB-CB 4.39Å; M120-E124 VanDerWaalsContact CB-OE2 3.31Å; M120-E124 WeakPolarHBondContact CB-OE2 3.47Å; M120-E124 HydrophobicContact CE-CB 3.66Å; M120-E124 HydrophobicContact SD-CB 4.26Å; S121-E124 PolarHBondContact N-OE2 2.84Å; S121-E124 PolarHBondContact O-N 3.43Å; E124-G127 PolarHBondContact O-N 3.45Å; E124-L128 WeakPolarHBondContact O-CG 3.49Å; E124-L128 PolarHBondContact O-N 3.26Å
125L91.1Very high91.5Very high58 Ų5887.9 Ų87.930%0.30444%0.441SS..Hα-helixtrans-61.5-46.1173.5-175.661.8000111.2S121 Y123 G127 L128 F129S121-L125 PolarHBondContact O-N 2.88Å; S121-L125 VanDerWaalsContact O-N 3.11Å; Y123-L125 VanDerWaalsContact C-N 3.35Å; L125-G127 VanDerWaalsContact C-N 3.33Å; L125-G127 PolarHBondContact O-N 3.41Å; L125-L128 PolarHBondContact O-N 2.57Å; L125-F129 HydrophobicContact CD1-CD2 3.84Å; L125-F129 HydrophobicContact CD1-CE2 3.37Å; L125-F129 HydrophobicContact CD1-CZ 4.22Å; L125-F129 HydrophobicContact CD2-CE2 4.04Å; L125-F129 HydrophobicContact CG-CD2 3.74Å; L125-F129 HydrophobicContact CG-CE2 3.51Å; L125-F129 WeakPolarHBondContact O-CD2 3.26Å; L125-F129 PolarHBondContact O-N 3.11Å
126F93.7Very high91.8Very high140 Ų14091.9 Ų91.961%0.61446%0.463SS*.Hα-helixtrans-59.8-42.2174.3-178.9-97000111.8N122 Y123 L128 F129 F130N122-F126 WeakPolarHBondContact O-CB 3.42Å; N122-F126 PolarHBondContact O-N 3.02Å; Y123-F126 PolarHBondContact O-N 3.16Å; F126-L128 PolarHBondContact O-N 2.75Å; F126-F129 PolarHBondContact O-N 2.95Å; F126-F130 HydrophobicContact CE1-CB 4.44Å; F126-F130 WeakPolarHBondContact O-CB 3.45Å; F126-F130 PolarHBondContact O-N 3.46Å
127G93.7Very high92.1Very high38 Ų3889.7 Ų89.739%0.39245%0.454SS..Hα-helixtrans-60.5-43.4175.700000112.9Y123 E124 L125 F130 G131Y123-G127 PolarHBondContact O-N 2.97Å; E124-G127 PolarHBondContact O-N 3.45Å; L125-G127 VanDerWaalsContact C-N 3.33Å; L125-G127 PolarHBondContact O-N 3.41Å; G127-F130 PolarHBondContact O-N 2.7Å; G127-G131 PolarHBondContact O-N 2.9Å
128L91.7Very high92.3Very high95 Ų9589.1 Ų89.150%0.49745%0.447SS..Hα-helixtrans-62.2-47.6174.2-72176.1000111.8M120 E124 L125 F126 G131 M132M120-L128 HydrophobicContact CE-CD1 3.64Å; M120-L128 HydrophobicContact CE-CG 4.49Å; E124-L128 WeakPolarHBondContact O-CG 3.49Å; E124-L128 PolarHBondContact O-N 3.26Å; L125-L128 PolarHBondContact O-N 2.57Å; F126-L128 PolarHBondContact O-N 2.75Å; L128-G131 PolarHBondContact O-N 2.98Å; L128-M132 WeakPolarHBondContact O-CG 3.23Å; L128-M132 PolarHBondContact O-N 3.05Å
129F93.5Very high92.7Very high135 Ų13586.2 Ų86.259%0.59245%0.448SS*.Hα-helixtrans-64-41177.6-81.2-61.2000112.4L125 F126 M132 A133L125-F129 HydrophobicContact CD1-CD2 3.84Å; L125-F129 HydrophobicContact CD1-CE2 3.37Å; L125-F129 HydrophobicContact CD1-CZ 4.22Å; L125-F129 HydrophobicContact CD2-CE2 4.04Å; L125-F129 HydrophobicContact CG-CD2 3.74Å; L125-F129 HydrophobicContact CG-CE2 3.51Å; L125-F129 WeakPolarHBondContact O-CD2 3.26Å; L125-F129 PolarHBondContact O-N 3.11Å; F126-F129 PolarHBondContact O-N 2.95Å; F129-M132 PolarHBondContact O-N 3.25Å; F129-A133 VanDerWaalsContact O-CB 3.24Å; F129-A133 WeakPolarHBondContact O-CB 3.44Å; F129-A133 PolarHBondContact O-N 3.42Å
130F94.8Very high93Very high72 Ų7283 Ų8332%0.31645%0.445SS..Hα-helixtrans-60.9-48.7175.2-178-102.9000110.5F126 G127 M132 A133 T134 L193 P194 I197F126-F130 HydrophobicContact CE1-CB 4.44Å; F126-F130 WeakPolarHBondContact O-CB 3.45Å; F126-F130 PolarHBondContact O-N 3.46Å; G127-F130 PolarHBondContact O-N 2.7Å; F130-M132 PolarHBondContact O-N 3.04Å; F130-A133 WeakPolarHBondContact O-CB 3.31Å; F130-A133 PolarHBondContact O-N 3.01Å; F130-T134 HydrophobicContact CD1-CG2 4.15Å; F130-T134 HydrophobicContact CE1-CG2 4.06Å; F130-T134 HydrophobicContact CZ-CG2 4.38Å; F130-T134 WeakPolarHBondContact O-CG2 3.26Å; F130-T134 PolarHBondContact O-N 3.47Å; F130-L193 HydrophobicContact CD2-CD2 3.96Å; F130-L193 HydrophobicContact CE2-CD2 3.37Å; F130-L193 HydrophobicContact CZ-CD2 3.97Å; F130-P194 HydrophobicContact CE1-CB 4.07Å; F130-P194 HydrophobicContact CE1-CG 3.62Å; F130-P194 HydrophobicContact CZ-CB 3.72Å; F130-P194 HydrophobicContact CZ-CG 3.58Å; F130-I197 HydrophobicContact CE2-CD1 4.33Å
131G94Very high93.2Very high30 Ų3083.4 Ų83.431%0.30945%0.448SS..Hα-helixtrans-54.7-51.6174.100000112.4G127 L128 A133 T134 V135G127-G131 PolarHBondContact O-N 2.9Å; L128-G131 PolarHBondContact O-N 2.98Å; G131-A133 VanDerWaalsContact C-N 3.35Å; G131-A133 PolarHBondContact O-N 3.29Å; G131-T134 PolarHBondContact O-N 3.47Å; G131-T134 VanDerWaalsContact O-N 3.13Å; G131-T134 PolarHBondContact O-OG1 2.89Å; G131-V135 PolarHBondContact O-N 3.3Å; G131-V135 VanDerWaalsContact O-N 3.11Å
132M94.9Very high93.2Very high118 Ų11886.5 Ų86.558%0.58145%0.451SS*.Hα-helixtrans-59.5-43176-73.6-63.9-67.700112.3L128 F129 F130 T134 V135 I136L128-M132 WeakPolarHBondContact O-CG 3.23Å; L128-M132 PolarHBondContact O-N 3.05Å; F129-M132 PolarHBondContact O-N 3.25Å; F130-M132 PolarHBondContact O-N 3.04Å; M132-T134 VanDerWaalsContact C-N 3.3Å; M132-T134 PolarHBondContact O-N 2.95Å; M132-V135 PolarHBondContact O-N 2.9Å; M132-I136 VanDerWaalsContact O-CG1 3.29Å; M132-I136 WeakPolarHBondContact O-CG1 3.22Å; M132-I136 PolarHBondContact O-N 3.39Å
133A94.4Very high93.3Very high39 Ų3981.8 Ų81.832%0.32243%0.434SS..Hα-helixtrans-63-36.4176.500000111.7F129 F130 G131 H137 L193F129-A133 VanDerWaalsContact O-CB 3.24Å; F129-A133 WeakPolarHBondContact O-CB 3.44Å; F129-A133 PolarHBondContact O-N 3.42Å; F130-A133 WeakPolarHBondContact O-CB 3.31Å; F130-A133 PolarHBondContact O-N 3.01Å; G131-A133 VanDerWaalsContact C-N 3.35Å; G131-A133 PolarHBondContact O-N 3.29Å; A133-H137 WeakPolarHBondContact O-CB 3.48Å; A133-H137 PolarHBondContact O-N 3.35Å; A133-L193 HydrophobicContact CB-CD1 4.18Å
134T94.8Very high93.1Very high23 Ų2375 Ų7514%0.14142%0.415CS..Hα-helixtrans-64.2-43174.874.60000111.7F130 G131 M132 H137 Y138 L193 P194F130-T134 HydrophobicContact CD1-CG2 4.15Å; F130-T134 HydrophobicContact CE1-CG2 4.06Å; F130-T134 HydrophobicContact CZ-CG2 4.38Å; F130-T134 WeakPolarHBondContact O-CG2 3.26Å; F130-T134 PolarHBondContact O-N 3.47Å; G131-T134 PolarHBondContact O-N 3.47Å; G131-T134 VanDerWaalsContact O-N 3.13Å; G131-T134 PolarHBondContact O-OG1 2.89Å; M132-T134 VanDerWaalsContact C-N 3.3Å; M132-T134 PolarHBondContact O-N 2.95Å; T134-H137 PolarHBondContact O-N 2.95Å; T134-Y138 WeakPolarHBondContact O-CB 3.28Å; T134-Y138 PolarHBondContact O-N 3.48Å; T134-L193 HydrophobicContact CG2-CB 4.03Å; T134-L193 HydrophobicContact CG2-CD2 4.25Å; T134-P194 HydrophobicContact CG2-CG 3.76Å
135V94.1Very high92.9Very high92 Ų9270.7 Ų70.756%0.55840%0.396SS*.Hα-helixtrans-65.4-46.4177.7175.10000110.7G131 M132 H137 Y138 A139G131-V135 PolarHBondContact O-N 3.3Å; G131-V135 VanDerWaalsContact O-N 3.11Å; M132-V135 PolarHBondContact O-N 2.9Å; V135-H137 PolarHBondContact O-N 3.49Å; V135-Y138 PolarHBondContact O-N 3.46Å; V135-A139 WeakPolarHBondContact O-CB 3.44Å; V135-A139 PolarHBondContact O-N 2.85Å
136I94.7Very high92.9Very high108 Ų10874 Ų7455%0.55441%0.409SS*.Hα-helixtrans-62.4-43.9177.4-68165.5000110.6M132 A139 A140M132-I136 VanDerWaalsContact O-CG1 3.29Å; M132-I136 WeakPolarHBondContact O-CG1 3.22Å; M132-I136 PolarHBondContact O-N 3.39Å; I136-A139 PolarHBondContact O-N 2.99Å; I136-A140 WeakPolarHBondContact O-CB 3.47Å; I136-A140 PolarHBondContact O-N 2.95Å
137H94.3Very high92.7Very high68 Ų6873.3 Ų73.332%0.31541%0.407SS..Hα-helixtrans-61.3-45.7177.5-177.765.2000111.4A133 T134 V135 A139 A140 L141 D191 L193A133-H137 WeakPolarHBondContact O-CB 3.48Å; A133-H137 PolarHBondContact O-N 3.35Å; T134-H137 PolarHBondContact O-N 2.95Å; V135-H137 PolarHBondContact O-N 3.49Å; H137-A139 PolarHBondContact O-N 2.98Å; H137-A140 WeakPolarHBondContact O-CB 3.13Å; H137-A140 PolarHBondContact O-N 2.77Å; H137-A140 VanDerWaalsContact O-N 3.17Å; H137-L141 WeakPolarHBondContact O-CG 3.38Å; H137-L141 PolarHBondContact O-N 3.39Å; H137-D191 PolarHBondContact NE2-O 3.29Å; H137-L193 HydrophobicContact CB-CB 4.25Å; H137-L193 HydrophobicContact CB-CD1 3.92Å
138Y92.5Very high92.4Very high74 Ų7476.6 Ų76.629%0.2941%0.411SS..Hα-helixtrans-62.9-41.5176.5-172.6-111.7000112.1T134 V135 A140 L141 W142 P187 L192T134-Y138 WeakPolarHBondContact O-CB 3.28Å; T134-Y138 PolarHBondContact O-N 3.48Å; V135-Y138 PolarHBondContact O-N 3.46Å; Y138-A140 VanDerWaalsContact C-N 3.31Å; Y138-A140 PolarHBondContact O-N 2.89Å; Y138-L141 PolarHBondContact O-N 3.46Å; Y138-W142 AromaticContact CD1-CD1 3.72Å; Y138-W142 AromaticContact CD1-NE1 3.96Å; Y138-W142 AromaticContact CE1-CD1 3.37Å; Y138-W142 AromaticContact CE1-NE1 3.11Å; Y138-W142 AromaticContact CE2-NE1 3.8Å; Y138-W142 AromaticContact CZ-CD1 3.56Å; Y138-W142 AromaticContact CZ-NE1 3.01Å; Y138-W142 PolarHBondContact O-N 3.27Å; Y138-W142 PolarHBondContact OH-NE1 3.45Å; Y138-P187 HydrophobicContact CD2-CB 4.48Å; Y138-P187 HydrophobicContact CE2-CB 3.99Å; Y138-P187 HydrophobicContact CE2-CG 3.93Å; Y138-L192 HydrophobicContact CD2-CD2 3.8Å; Y138-L192 HydrophobicContact CE2-CD2 4.46Å; Y138-L192 HydrophobicContact CG-CD2 4.03Å
139A93.3Very high92.2Very high59 Ų5975 Ų7549%0.48840%0.398SS..Hα-helixtrans-62.2-37.4173.600000112.1V135 I136 H137 W142 G143V135-A139 WeakPolarHBondContact O-CB 3.44Å; V135-A139 PolarHBondContact O-N 2.85Å; I136-A139 PolarHBondContact O-N 2.99Å; H137-A139 PolarHBondContact O-N 2.98Å; A139-W142 WeakPolarHBondContact O-CB 3.29Å; A139-W142 PolarHBondContact O-N 2.73Å; A139-G143 PolarHBondContact O-N 3.33Å
140A92.7Very high91.9Very high61 Ų6171.9 Ų71.950%0.50439%0.387SS..Hα-helixtrans-67.2-39.1175.600000112.4I136 H137 Y138 G143 S144I136-A140 WeakPolarHBondContact O-CB 3.47Å; I136-A140 PolarHBondContact O-N 2.95Å; H137-A140 WeakPolarHBondContact O-CB 3.13Å; H137-A140 PolarHBondContact O-N 2.77Å; H137-A140 VanDerWaalsContact O-N 3.17Å; Y138-A140 VanDerWaalsContact C-N 3.31Å; Y138-A140 PolarHBondContact O-N 2.89Å; A140-G143 WeakPolarHBondContact O-CA 3.39Å; A140-G143 PolarHBondContact O-N 3.37Å; A140-G143 VanDerWaalsContact O-N 3.16Å; A140-S144 PolarHBondContact O-N 2.95Å
141L90.5Very high91.5Very high50 Ų5071.4 Ų71.426%0.26239%0.39SS..Hα-helixtrans-62.3-44.6173.4-67.9171.7000111.3H137 Y138 G143 S144 V145 P187 D191H137-L141 WeakPolarHBondContact O-CG 3.38Å; H137-L141 PolarHBondContact O-N 3.39Å; Y138-L141 PolarHBondContact O-N 3.46Å; L141-G143 VanDerWaalsContact C-N 3.3Å; L141-G143 PolarHBondContact O-N 2.93Å; L141-S144 PolarHBondContact O-N 2.88Å; L141-V145 PolarHBondContact O-N 3.5Å; L141-V145 VanDerWaalsContact O-N 3.16Å; L141-P187 HydrophobicContact CB-CB 3.96Å; L141-P187 HydrophobicContact CD1-CB 4.44Å; L141-D191 HydrophobicContact CD1-CB 3.67Å
142W91.9Very high90.9Very high122 Ų12271.2 Ų71.246%0.46238%0.382SS..Hα-helixtrans-59.9-40.4170.7-89.6105.1000112.4Y138 A139 S144 V145 F146 P187Y138-W142 AromaticContact CD1-CD1 3.72Å; Y138-W142 AromaticContact CD1-NE1 3.96Å; Y138-W142 AromaticContact CE1-CD1 3.37Å; Y138-W142 AromaticContact CE1-NE1 3.11Å; Y138-W142 AromaticContact CE2-NE1 3.8Å; Y138-W142 AromaticContact CZ-CD1 3.56Å; Y138-W142 AromaticContact CZ-NE1 3.01Å; Y138-W142 PolarHBondContact O-N 3.27Å; Y138-W142 PolarHBondContact OH-NE1 3.45Å; A139-W142 WeakPolarHBondContact O-CB 3.29Å; A139-W142 PolarHBondContact O-N 2.73Å; W142-S144 VanDerWaalsContact C-N 3.3Å; W142-S144 PolarHBondContact O-N 2.92Å; W142-V145 PolarHBondContact O-N 3.44Å; W142-V145 VanDerWaalsContact O-N 3.15Å; W142-F146 WeakPolarHBondContact O-CB 3.19Å; W142-F146 PolarHBondContact O-N 2.93Å; W142-P187 HydrophobicContact CD2-CG 3.78Å; W142-P187 VanDerWaalsContact CE2-CG 3.5Å; W142-P187 HydrophobicContact CG-CG 3.82Å; W142-P187 HydrophobicContact CZ2-CG 4.09Å; W142-P187 VanDerWaalsContact NE1-CG 3.34Å
143G91.7Very high90.3Very high36 Ų3671.3 Ų71.337%0.37138%0.381SS..Hα-helixtrans-55.7-43173.800000112.3A139 A140 L141 F146 E147A139-G143 PolarHBondContact O-N 3.33Å; A140-G143 WeakPolarHBondContact O-CA 3.39Å; A140-G143 PolarHBondContact O-N 3.37Å; A140-G143 VanDerWaalsContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.3Å; L141-G143 PolarHBondContact O-N 2.93Å; G143-F146 PolarHBondContact O-N 2.8Å; G143-E147 WeakPolarHBondContact O-CB 3.24Å; G143-E147 PolarHBondContact O-N 3.17Å
144S89.5Confident89.8Confident52 Ų5274.5 Ų74.536%0.36439%0.393SS..Hα-helixtrans-67.1-36.7176.5-1740000113.1A140 L141 W142 K148A140-S144 PolarHBondContact O-N 2.95Å; L141-S144 PolarHBondContact O-N 2.88Å; W142-S144 VanDerWaalsContact C-N 3.3Å; W142-S144 PolarHBondContact O-N 2.92Å; S144-K148 WeakPolarHBondContact O-CG 3.35Å; S144-K148 PolarHBondContact O-N 2.86Å
145V88.5Confident89.3Confident15 Ų1578.7 Ų78.79%0.09141%0.411CS..Hα-helixtrans-66.1-45.5173.6171.40000110.3L141 W142 E147 K148 R149 I184L141-V145 PolarHBondContact O-N 3.5Å; L141-V145 VanDerWaalsContact O-N 3.16Å; W142-V145 PolarHBondContact O-N 3.44Å; W142-V145 VanDerWaalsContact O-N 3.15Å; V145-E147 VanDerWaalsContact C-N 3.34Å; V145-E147 PolarHBondContact O-N 3.49Å; V145-K148 PolarHBondContact O-N 2.97Å; V145-R149 HydrophobicContact CG1-CG 4.33Å; V145-R149 WeakPolarHBondContact O-CG 3.47Å; V145-R149 PolarHBondContact O-N 3.48Å; V145-I184 HydrophobicContact CG1-CG2 4.05Å; V145-I184 HydrophobicContact CG2-CG2 4.4Å
146F91.1Very high88.2Confident128 Ų12876.1 Ų76.156%0.56139%0.394SS*.Hα-helixtrans-62.4-40.5178.6-175.2-108000112.1W142 G143 K148 R149 L150W142-F146 WeakPolarHBondContact O-CB 3.19Å; W142-F146 PolarHBondContact O-N 2.93Å; G143-F146 PolarHBondContact O-N 2.8Å; F146-K148 PolarHBondContact O-N 3.4Å; F146-R149 WeakPolarHBondContact O-CB 3.48Å; F146-R149 PolarHBondContact O-N 2.87Å; F146-L150 HydrophobicContact CD1-CD1 3.75Å; F146-L150 HydrophobicContact CD1-CG 4.23Å; F146-L150 HydrophobicContact CE1-CD1 3.28Å; F146-L150 HydrophobicContact CE1-CD2 4.38Å; F146-L150 HydrophobicContact CE1-CG 3.88Å; F146-L150 HydrophobicContact CE2-CD2 4.45Å; F146-L150 HydrophobicContact CE2-CG 4.36Å; F146-L150 HydrophobicContact CZ-CD1 3.78Å; F146-L150 HydrophobicContact CZ-CD2 4Å; F146-L150 HydrophobicContact CZ-CG 3.93Å; F146-L150 WeakPolarHBondContact O-CG 3.14Å; F146-L150 PolarHBondContact O-N 3.11Å
147E90.2Very high87.4Confident125 Ų12573 Ų7358%0.58438%0.382SS*.Hα-helixtrans-57.9-48.3173.5-174.2-176.1179.400111.1G143 V145 R149 L150 T151G143-E147 WeakPolarHBondContact O-CB 3.24Å; G143-E147 PolarHBondContact O-N 3.17Å; V145-E147 VanDerWaalsContact C-N 3.34Å; V145-E147 PolarHBondContact O-N 3.49Å; E147-R149 VanDerWaalsContact C-N 3.32Å; E147-R149 PolarHBondContact O-N 3.49Å; E147-L150 PolarHBondContact O-N 2.91Å; E147-T151 WeakPolarHBondContact O-CG2 3.37Å; E147-T151 PolarHBondContact O-N 3.13Å; E147-T151 PolarHBondContact O-OG1 3.31Å
148K87.5Confident86.8Confident106 Ų10672.8 Ų72.846%0.46139%0.385SS..Hα-helixtrans-59.9-43.7176.7-69.3172.6-173.9171.70111.5S144 V145 F146 T151 L152 I184S144-K148 WeakPolarHBondContact O-CG 3.35Å; S144-K148 PolarHBondContact O-N 2.86Å; V145-K148 PolarHBondContact O-N 2.97Å; F146-K148 PolarHBondContact O-N 3.4Å; K148-T151 WeakPolarHBondContact CA-OG1 3.06Å; K148-T151 PolarHBondContact O-N 2.85Å; K148-T151 PolarHBondContact O-OG1 2.79Å; K148-L152 WeakPolarHBondContact O-CG 3.5Å; K148-L152 PolarHBondContact O-N 3.42Å; K148-L152 VanDerWaalsContact O-N 3.1Å; K148-I184 HydrophobicContact CB-CD1 3.9Å; K148-I184 HydrophobicContact CD-CG2 4.36Å
149R86.8Confident86Confident61 Ų6171 Ų7123%0.2338%0.384CS..Hα-helixtrans-56.9-50.4176.3-65.9-84.5-171-120.48.5111.2V145 F146 E147 T151 L152 E153 L181V145-R149 HydrophobicContact CG1-CG 4.33Å; V145-R149 WeakPolarHBondContact O-CG 3.47Å; V145-R149 PolarHBondContact O-N 3.48Å; F146-R149 WeakPolarHBondContact O-CB 3.48Å; F146-R149 PolarHBondContact O-N 2.87Å; E147-R149 VanDerWaalsContact C-N 3.32Å; E147-R149 PolarHBondContact O-N 3.49Å; R149-T151 PolarHBondContact O-N 3.44Å; R149-L152 WeakPolarHBondContact O-CB 3.37Å; R149-L152 PolarHBondContact O-N 2.84Å; R149-E153 PolarHBondContact O-N 3.33Å; R149-E153 VanDerWaalsContact O-N 3.13Å; R149-L181 VanDerWaalsContact CZ-O 3.31Å; R149-L181 VanDerWaalsContact NE-CD1 3.33Å; R149-L181 PolarHBondContact NH1-O 2.89Å; R149-L181 PolarHBondContact NH2-O 3.23Å
150L87.4Confident85Confident70 Ų7071.5 Ų71.537%0.36638%0.377SS..Hα-helixtrans-61.5-43.4177.7-72.5178.6000112.5F146 E147 L152 E153 D154F146-L150 HydrophobicContact CD1-CD1 3.75Å; F146-L150 HydrophobicContact CD1-CG 4.23Å; F146-L150 HydrophobicContact CE1-CD1 3.28Å; F146-L150 HydrophobicContact CE1-CD2 4.38Å; F146-L150 HydrophobicContact CE1-CG 3.88Å; F146-L150 HydrophobicContact CE2-CD2 4.45Å; F146-L150 HydrophobicContact CE2-CG 4.36Å; F146-L150 HydrophobicContact CZ-CD1 3.78Å; F146-L150 HydrophobicContact CZ-CD2 4Å; F146-L150 HydrophobicContact CZ-CG 3.93Å; F146-L150 WeakPolarHBondContact O-CG 3.14Å; F146-L150 PolarHBondContact O-N 3.11Å; E147-L150 PolarHBondContact O-N 2.91Å; L150-L152 PolarHBondContact O-N 3.42Å; L150-E153 PolarHBondContact O-N 2.65Å; L150-E153 VanDerWaalsContact O-N 3.16Å; L150-D154 PolarHBondContact O-N 2.9Å
151T86.3Confident84.1Confident62 Ų6275.5 Ų75.538%0.3838%0.383SS..Hα-helixtrans-62.6-32.4178.861.30000112.8E147 K148 R149 Q155E147-T151 WeakPolarHBondContact O-CG2 3.37Å; E147-T151 PolarHBondContact O-N 3.13Å; E147-T151 PolarHBondContact O-OG1 3.31Å; K148-T151 WeakPolarHBondContact CA-OG1 3.06Å; K148-T151 PolarHBondContact O-N 2.85Å; K148-T151 PolarHBondContact O-OG1 2.79Å; R149-T151 PolarHBondContact O-N 3.44Å; T151-Q155 VanDerWaalsContact O-CG 3.26Å; T151-Q155 WeakPolarHBondContact O-CG 3.45Å; T151-Q155 PolarHBondContact O-N 2.97Å
152L81.9Confident83.3Confident26 Ų2682.6 Ų82.614%0.13641%0.407CS..Hα-helixtrans-69.6-43174.7-70.9178.8000111.4K148 R149 L150 D154 Q155 L156 E180 I184K148-L152 WeakPolarHBondContact O-CG 3.5Å; K148-L152 PolarHBondContact O-N 3.42Å; K148-L152 VanDerWaalsContact O-N 3.1Å; R149-L152 WeakPolarHBondContact O-CB 3.37Å; R149-L152 PolarHBondContact O-N 2.84Å; L150-L152 PolarHBondContact O-N 3.42Å; L152-D154 VanDerWaalsContact C-N 3.31Å; L152-D154 PolarHBondContact O-N 2.75Å; L152-Q155 PolarHBondContact O-N 3.19Å; L152-L156 WeakPolarHBondContact O-CB 3.42Å; L152-L156 PolarHBondContact O-N 2.92Å; L152-E180 HydrophobicContact CD1-CB 4.25Å; L152-E180 WeakPolarHBondContact CD2-OE2 3.42Å; L152-I184 HydrophobicContact CD1-CD1 3.66Å
153E81.7Confident81.9Confident121 Ų12180.4 Ų80.457%0.56540%0.402SS*.Hα-helixtrans-61.2-38.1174.3-70.2-178.5-175.700112.6R149 L150 L156 S157R149-E153 PolarHBondContact O-N 3.33Å; R149-E153 VanDerWaalsContact O-N 3.13Å; L150-E153 PolarHBondContact O-N 2.65Å; L150-E153 VanDerWaalsContact O-N 3.16Å; E153-L156 WeakPolarHBondContact O-CB 3.2Å; E153-L156 PolarHBondContact O-N 2.94Å; E153-S157 WeakPolarHBondContact O-CB 3.31Å; E153-S157 PolarHBondContact O-N 3.39Å
154D84.9Confident80.4Confident106 Ų10687.1 Ų87.157%0.56742%0.421SS*.Hα-helixtrans-68.1-42.1176-84.9-20000112.3L150 L152 L156 S157 T158L150-D154 PolarHBondContact O-N 2.9Å; L152-D154 VanDerWaalsContact C-N 3.31Å; L152-D154 PolarHBondContact O-N 2.75Å; D154-L156 VanDerWaalsContact C-N 3.28Å; D154-L156 PolarHBondContact O-N 3.25Å; D154-S157 PolarHBondContact O-N 3.2Å; D154-S157 PolarHBondContact O-OG 3.01Å; D154-S157 VanDerWaalsContact O-OG 3.1Å; D154-T158 WeakPolarHBondContact O-CB 3.17Å; D154-T158 PolarHBondContact O-N 3.08Å; D154-T158 PolarHBondContact O-OG1 3.32Å
155Q83.1Confident78.8Confident111 Ų11189 Ų8952%0.51944%0.439SS..Hα-helixtrans-61.5-40.2173.3-73.5178.820.800111.1T151 L152 T158 S159T151-Q155 VanDerWaalsContact O-CG 3.26Å; T151-Q155 WeakPolarHBondContact O-CG 3.45Å; T151-Q155 PolarHBondContact O-N 2.97Å; L152-Q155 PolarHBondContact O-N 3.19Å; Q155-T158 PolarHBondContact O-N 2.93Å; Q155-S159 VanDerWaalsContact O-CB 3.29Å; Q155-S159 WeakPolarHBondContact O-CB 3.13Å; Q155-S159 PolarHBondContact O-N 3.48Å
156L72.9Confident77.8Confident37 Ų3798 Ų9819%0.19447%0.472CS..Hα-helixtrans-62-53.7173.8172.760.8000111.8L152 E153 D154 T158 S159 L160 I173 I177L152-L156 WeakPolarHBondContact O-CB 3.42Å; L152-L156 PolarHBondContact O-N 2.92Å; E153-L156 WeakPolarHBondContact O-CB 3.2Å; E153-L156 PolarHBondContact O-N 2.94Å; D154-L156 VanDerWaalsContact C-N 3.28Å; D154-L156 PolarHBondContact O-N 3.25Å; L156-T158 PolarHBondContact O-N 3.18Å; L156-S159 CarbonylContact O-C 3.57Å; L156-S159 WeakPolarHBondContact O-CA 3.5Å; L156-S159 WeakPolarHBondContact O-CB 3.35Å; L156-S159 PolarHBondContact O-N 2.98Å; L156-L160 VanDerWaalsContact O-CB 3.23Å; L156-L160 WeakPolarHBondContact O-CB 3.45Å; L156-L160 PolarHBondContact O-N 2.81Å; L156-I173 HydrophobicContact CD1-CB 4.31Å; L156-I173 HydrophobicContact CD1-CG2 3.15Å; L156-I177 HydrophobicContact CB-CD1 4Å; L156-I177 HydrophobicContact CD1-CD1 3.44Å; L156-I177 VanDerWaalsContact CD1-CD1 3.44Å; L156-I177 HydrophobicContact CD2-CD1 3.29Å; L156-I177 HydrophobicContact CG-CD1 3.7Å
157S77.5Confident76.8Confident44 Ų4497 Ų9731%0.30847%0.472SS..Hα-helixtrans-59.5-35.3-177.2810000110.8E153 D154 K161E153-S157 WeakPolarHBondContact O-CB 3.31Å; E153-S157 PolarHBondContact O-N 3.39Å; D154-S157 PolarHBondContact O-N 3.2Å; D154-S157 PolarHBondContact O-OG 3.01Å; D154-S157 VanDerWaalsContact O-OG 3.1Å; S157-K161 VanDerWaalsContact O-CB 3.32Å; S157-K161 WeakPolarHBondContact O-CB 3.19Å; S157-K161 WeakPolarHBondContact O-CD 3.32Å; S157-K161 WeakPolarHBondContact O-CG 3.49Å; S157-K161 PolarHBondContact O-N 3.22Å
158T80.5Confident76Confident63 Ų63100.7 Ų100.739%0.38748%0.481SS..Hα-helixtrans-68.6-45.6173-56.30000111.9D154 Q155 L156 K161 R162D154-T158 WeakPolarHBondContact O-CB 3.17Å; D154-T158 PolarHBondContact O-N 3.08Å; D154-T158 PolarHBondContact O-OG1 3.32Å; Q155-T158 PolarHBondContact O-N 2.93Å; L156-T158 PolarHBondContact O-N 3.18Å; T158-K161 PolarHBondContact O-N 3.35Å; T158-R162 VanDerWaalsContact O-CG 3.31Å; T158-R162 WeakPolarHBondContact O-CG 3.38Å; T158-R162 PolarHBondContact O-N 3.42Å; T158-R162 VanDerWaalsContact O-N 3.1Å
159S76Confident75.2Confident37 Ų3799.9 Ų99.926%0.25948%0.477SS..Hα-helixtrans-62.8-43.5176.7-172.50000112.1Q155 L156 R162 H163Q155-S159 VanDerWaalsContact O-CB 3.29Å; Q155-S159 WeakPolarHBondContact O-CB 3.13Å; Q155-S159 PolarHBondContact O-N 3.48Å; L156-S159 CarbonylContact O-C 3.57Å; L156-S159 WeakPolarHBondContact O-CA 3.5Å; L156-S159 WeakPolarHBondContact O-CB 3.35Å; L156-S159 PolarHBondContact O-N 2.98Å; S159-R162 CarbonylContact O-C 3.47Å; S159-R162 WeakPolarHBondContact O-CB 3.45Å; S159-R162 PolarHBondContact O-N 2.94Å; S159-H163 WeakPolarHBondContact O-CB 3.36Å; S159-H163 PolarHBondContact O-CD2 3.1Å; S159-H163 VanDerWaalsContact O-CD2 3.25Å; S159-H163 PolarHBondContact O-N 3.26Å
160L72.9Confident74.5Confident68 Ų6899.9 Ų99.936%0.35648%0.482SS..Hα-helixtrans-65.7-42.1177.5-172.7151.9000111.8L156 R162 H163 K164 L170L156-L160 VanDerWaalsContact O-CB 3.23Å; L156-L160 WeakPolarHBondContact O-CB 3.45Å; L156-L160 PolarHBondContact O-N 2.81Å; L160-R162 VanDerWaalsContact C-N 3.29Å; L160-R162 PolarHBondContact O-N 2.9Å; L160-H163 CarbonylContact O-C 3.38Å; L160-H163 PolarHBondContact O-N 3.47Å; L160-H163 VanDerWaalsContact O-N 3.13Å; L160-K164 PolarHBondContact O-N 3.45Å; L160-L170 HydrophobicContact CD1-CD1 3.24Å; L160-L170 HydrophobicContact CG-CD1 4.13Å
161K73.3Confident74Confident145 Ų145102.4 Ų102.463%0.6349%0.492SS*.Hα-helixtrans-59.9-38.9172.1-79.4170.8-176.3173.90111.7S157 T158S157-K161 VanDerWaalsContact O-CB 3.32Å; S157-K161 WeakPolarHBondContact O-CB 3.19Å; S157-K161 WeakPolarHBondContact O-CD 3.32Å; S157-K161 WeakPolarHBondContact O-CG 3.49Å; S157-K161 PolarHBondContact O-N 3.22Å; T158-K161 PolarHBondContact O-N 3.35Å
162R73.7Confident73.7Confident199 Ų199104.8 Ų104.875%0.75150%0.501SS*.Hα-helixtrans-69.7-31.5174.2-68.5171.1-177.3-167.6-0.1112.6T158 S159 L160T158-R162 VanDerWaalsContact O-CG 3.31Å; T158-R162 WeakPolarHBondContact O-CG 3.38Å; T158-R162 PolarHBondContact O-N 3.42Å; T158-R162 VanDerWaalsContact O-N 3.1Å; S159-R162 CarbonylContact O-C 3.47Å; S159-R162 WeakPolarHBondContact O-CB 3.45Å; S159-R162 PolarHBondContact O-N 2.94Å; L160-R162 VanDerWaalsContact C-N 3.29Å; L160-R162 PolarHBondContact O-N 2.9Å
163H62.7Low73.3Confident76 Ų76105 Ų10535%0.35250%0.502SS..THydrogen-bonded Turntrans-101.927.5-174.5-74.1-47.8000115.2S159 L160 A165 K169S159-H163 WeakPolarHBondContact O-CB 3.36Å; S159-H163 PolarHBondContact O-CD2 3.1Å; S159-H163 VanDerWaalsContact O-CD2 3.25Å; S159-H163 PolarHBondContact O-N 3.26Å; L160-H163 CarbonylContact O-C 3.38Å; L160-H163 PolarHBondContact O-N 3.47Å; L160-H163 VanDerWaalsContact O-N 3.13Å; H163-A165 PolarHBondContact O-N 3.33Å; H163-K169 HydrophobicContact CB-CD 4.2Å; H163-K169 VanDerWaalsContact CD2-CE 3.49Å; H163-K169 WeakPolarHBondContact CD2-CE 3.35Å; H163-K169 PolarHBondContact CE1-NZ 3.24Å; H163-K169 PolarHBondContact ND1-NZ 3.13Å; H163-K169 WeakPolarHBondContact NE2-CE 3.5Å; H163-K169 PolarHBondContact NE2-NZ 3.21Å
164K60.4Low73.2Confident178 Ų178102.8 Ų102.877%0.77449%0.494SS*.THydrogen-bonded Turntrans-57.822.6-178.8-112.2-178.8-178.1179.90117.5L160L160-K164 PolarHBondContact O-N 3.45Å
165A56.2Low73Confident91 Ų91103.6 Ų103.675%0.75249%0.494SS*.THydrogen-bonded Turntrans-122.1-7.9-176.400000117.7H163H163-A165 PolarHBondContact O-N 3.33Å
166R65.9Low72.9Confident204 Ų204104 Ų10477%0.7750%0.496SS*.  trans-155.7129.1176.1-93-172.5-82.7165.5-4.8114.5R168 K169R166-R168 PolarHBondContact O-N 3.38Å; R166-K169 PolarHBondContact O-N 2.82Å
167D71.5Confident72.7Confident108 Ų108104.1 Ų104.158%0.57850%0.497SS*.Hα-helixtrans-60.6-35.6179.3-64-40.4000113.4K169 L170 E171D167-K169 VanDerWaalsContact C-N 3.27Å; D167-K169 PolarHBondContact O-N 3.28Å; D167-L170 VanDerWaalsContact O-CB 3.26Å; D167-L170 WeakPolarHBondContact O-CB 3.33Å; D167-L170 PolarHBondContact O-N 2.99Å; D167-E171 PolarHBondContact O-N 2.92Å
168R73.2Confident72.6Confident201 Ų201104.7 Ų104.776%0.75850%0.501SS*.Hα-helixtrans-61.9-30.8178.3-64.1-173.7-166.9176.23.1114R166 L170 L172R166-R168 PolarHBondContact O-N 3.38Å; R168-L170 VanDerWaalsContact C-N 3.35Å; R168-L172 PolarHBondContact O-N 3.15Å
169K69.3Low72.6Confident89 Ų89106.5 Ų106.539%0.38751%0.508SS..Hα-helixtrans-76-30.2178-170.6167.4-174.4171.20111.3H163 R166 D167 E171 I173H163-K169 HydrophobicContact CB-CD 4.2Å; H163-K169 VanDerWaalsContact CD2-CE 3.49Å; H163-K169 WeakPolarHBondContact CD2-CE 3.35Å; H163-K169 PolarHBondContact CE1-NZ 3.24Å; H163-K169 PolarHBondContact ND1-NZ 3.13Å; H163-K169 WeakPolarHBondContact NE2-CE 3.5Å; H163-K169 PolarHBondContact NE2-NZ 3.21Å; R166-K169 PolarHBondContact O-N 2.82Å; D167-K169 VanDerWaalsContact C-N 3.27Å; D167-K169 PolarHBondContact O-N 3.28Å; K169-E171 VanDerWaalsContact C-N 3.35Å; K169-I173 HydrophobicContact CG-CD1 4Å; K169-I173 HydrophobicContact CG-CG1 4.41Å; K169-I173 WeakPolarHBondContact O-CD1 3.36Å; K169-I173 WeakPolarHBondContact O-CG1 3.34Å; K169-I173 PolarHBondContact O-N 3.44Å
170L73.4Confident72.6Confident62 Ų62108.5 Ų108.533%0.32551%0.514SS..Hα-helixtrans-63.3-43.3173.5177.960.2000110.8L160 D167 R168 I173 N174L160-L170 HydrophobicContact CD1-CD1 3.24Å; L160-L170 HydrophobicContact CG-CD1 4.13Å; D167-L170 VanDerWaalsContact O-CB 3.26Å; D167-L170 WeakPolarHBondContact O-CB 3.33Å; D167-L170 PolarHBondContact O-N 2.99Å; R168-L170 VanDerWaalsContact C-N 3.35Å; L170-I173 PolarHBondContact O-N 3.35Å; L170-N174 WeakPolarHBondContact O-CB 3.33Å; L170-N174 PolarHBondContact O-N 2.93Å; L170-N174 PolarHBondContact O-ND2 3.31Å
171E77Confident72.6Confident123 Ų123108.8 Ų108.858%0.57552%0.515SS*.Hα-helixtrans-60.1-47.7176.1-70170.1179.200112.3D167 K169 I173 N174 Q175D167-E171 PolarHBondContact O-N 2.92Å; K169-E171 VanDerWaalsContact C-N 3.35Å; E171-I173 VanDerWaalsContact C-N 3.33Å; E171-I173 PolarHBondContact O-N 3.09Å; E171-N174 PolarHBondContact O-N 3.46Å; E171-Q175 WeakPolarHBondContact O-CG 3.43Å; E171-Q175 PolarHBondContact O-N 3.44Å
172L79.7Confident72.6Confident111 Ų111109 Ų10958%0.58152%0.518SS*.Hα-helixtrans-60.9-41.2176.9-69.2173.7000112.4R168 Q175 E176R168-L172 PolarHBondContact O-N 3.15Å; L172-Q175 PolarHBondContact O-N 2.84Å; L172-E176 PolarHBondContact O-N 3.07Å
173I74.4Confident72.9Confident30 Ų30108 Ų10815%0.15452%0.519CS..Hα-helixtrans-67-40.4177-64.5164.9000110.3L156 K169 L170 E171 Q175 E176 I177L156-I173 HydrophobicContact CD1-CB 4.31Å; L156-I173 HydrophobicContact CD1-CG2 3.15Å; K169-I173 HydrophobicContact CG-CD1 4Å; K169-I173 HydrophobicContact CG-CG1 4.41Å; K169-I173 WeakPolarHBondContact O-CD1 3.36Å; K169-I173 WeakPolarHBondContact O-CG1 3.34Å; K169-I173 PolarHBondContact O-N 3.44Å; L170-I173 PolarHBondContact O-N 3.35Å; E171-I173 VanDerWaalsContact C-N 3.33Å; E171-I173 PolarHBondContact O-N 3.09Å; I173-Q175 VanDerWaalsContact C-N 3.31Å; I173-Q175 PolarHBondContact O-N 3.16Å; I173-E176 PolarHBondContact O-N 3.13Å; I173-I177 HydrophobicContact CG2-CD1 4Å; I173-I177 VanDerWaalsContact O-CD1 3.31Å; I173-I177 WeakPolarHBondContact O-CD1 3.48Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 3.04Å
174N77.7Confident73.6Confident76 Ų76105.6 Ų105.641%0.40651%0.509SS..Hα-helixtrans-64.1-35.4176-69.8-19.7000112.4L170 E171 I177 S178L170-N174 WeakPolarHBondContact O-CB 3.33Å; L170-N174 PolarHBondContact O-N 2.93Å; L170-N174 PolarHBondContact O-ND2 3.31Å; E171-N174 PolarHBondContact O-N 3.46Å; N174-I177 PolarHBondContact O-N 3.28Å; N174-S178 PolarHBondContact O-N 2.9Å
175Q81.2Confident74.4Confident122 Ų122102 Ų10257%0.5750%0.503SS*.Hα-helixtrans-66.2-50.1173.5-76.7178.3-21.500111.6E171 L172 I173 I177 S178 D179E171-Q175 WeakPolarHBondContact O-CG 3.43Å; E171-Q175 PolarHBondContact O-N 3.44Å; L172-Q175 PolarHBondContact O-N 2.84Å; I173-Q175 VanDerWaalsContact C-N 3.31Å; I173-Q175 PolarHBondContact O-N 3.16Å; Q175-I177 PolarHBondContact O-N 3.21Å; Q175-S178 WeakPolarHBondContact O-CB 3.34Å; Q175-S178 PolarHBondContact O-N 2.98Å; Q175-D179 PolarHBondContact O-N 3.46Å
176E81.9Confident75.5Confident120 Ų12099.8 Ų99.856%0.56149%0.49SS*.Hα-helixtrans-54.1-37.8174.9-170.785.3-153.300111.3L172 I173 D179 E180L172-E176 PolarHBondContact O-N 3.07Å; I173-E176 PolarHBondContact O-N 3.13Å; E176-D179 PolarHBondContact O-N 3.16Å; E176-E180 WeakPolarHBondContact O-CG 3.47Å; E176-E180 PolarHBondContact O-N 2.98Å
177I68.2Low76.5Confident40 Ų4090.9 Ų90.921%0.20546%0.459CS..Hα-helixtrans-66.6-44.6175.3-69.3158000111.8L156 I173 N174 Q175 D179 E180 L181L156-I177 HydrophobicContact CB-CD1 4Å; L156-I177 HydrophobicContact CD1-CD1 3.44Å; L156-I177 VanDerWaalsContact CD1-CD1 3.44Å; L156-I177 HydrophobicContact CD2-CD1 3.29Å; L156-I177 HydrophobicContact CG-CD1 3.7Å; I173-I177 HydrophobicContact CG2-CD1 4Å; I173-I177 VanDerWaalsContact O-CD1 3.31Å; I173-I177 WeakPolarHBondContact O-CD1 3.48Å; I173-I177 WeakPolarHBondContact O-CG1 3.38Å; I173-I177 PolarHBondContact O-N 3.04Å; N174-I177 PolarHBondContact O-N 3.28Å; Q175-I177 PolarHBondContact O-N 3.21Å; I177-D179 PolarHBondContact O-N 2.67Å; I177-E180 PolarHBondContact O-N 2.88Å; I177-L181 WeakPolarHBondContact O-CA 3.45Å; I177-L181 WeakPolarHBondContact O-CB 3.4Å; I177-L181 PolarHBondContact O-N 2.63Å
178S74.4Confident77.1Confident56 Ų5687 Ų8739%0.39244%0.444SS..Hα-helixtrans-56-39.5176.2-177.40000110.7N174 Q175 L181 Q182N174-S178 PolarHBondContact O-N 2.9Å; Q175-S178 WeakPolarHBondContact O-CB 3.34Å; Q175-S178 PolarHBondContact O-N 2.98Å; S178-L181 WeakPolarHBondContact O-CB 3.44Å; S178-L181 PolarHBondContact O-N 3.43Å; S178-Q182 WeakPolarHBondContact O-CG 3.45Å; S178-Q182 PolarHBondContact O-N 3.5Å
179D81.1Confident77.6Confident100 Ų10087.4 Ų87.454%0.53545%0.446SS..Hα-helixtrans-71.1-44.2179.4-62.2-15.1000111.7Q175 E176 I177 L181 Q182 K183Q175-D179 PolarHBondContact O-N 3.46Å; E176-D179 PolarHBondContact O-N 3.16Å; I177-D179 PolarHBondContact O-N 2.67Å; D179-L181 VanDerWaalsContact C-N 3.27Å; D179-L181 PolarHBondContact O-N 2.99Å; D179-Q182 PolarHBondContact O-N 3.37Å; D179-K183 PolarHBondContact O-N 3.46Å; D179-K183 VanDerWaalsContact O-N 3.1Å
180E77.3Confident78.2Confident80 Ų8091 Ų9137%0.37446%0.462SS..Hα-helixtrans-65-32.9172.6-73.3-164.2155.200112L152 E176 I177 K183 I184L152-E180 HydrophobicContact CD1-CB 4.25Å; L152-E180 WeakPolarHBondContact CD2-OE2 3.42Å; E176-E180 WeakPolarHBondContact O-CG 3.47Å; E176-E180 PolarHBondContact O-N 2.98Å; I177-E180 PolarHBondContact O-N 2.88Å; E180-K183 PolarHBondContact O-N 3.21Å; E180-I184 PolarHBondContact O-N 3.18Å
181L71Confident78.8Confident73 Ų7390.9 Ų90.938%0.38246%0.462SS..Hα-helixtrans-67.3-44.5179.4-164.386.1000110.2R149 I177 S178 D179 K183 I184R149-L181 VanDerWaalsContact CZ-O 3.31Å; R149-L181 VanDerWaalsContact NE-CD1 3.33Å; R149-L181 PolarHBondContact NH1-O 2.89Å; R149-L181 PolarHBondContact NH2-O 3.23Å; I177-L181 WeakPolarHBondContact O-CA 3.45Å; I177-L181 WeakPolarHBondContact O-CB 3.4Å; I177-L181 PolarHBondContact O-N 2.63Å; S178-L181 WeakPolarHBondContact O-CB 3.44Å; S178-L181 PolarHBondContact O-N 3.43Å; D179-L181 VanDerWaalsContact C-N 3.27Å; D179-L181 PolarHBondContact O-N 2.99Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 2.88Å; L181-I184 PolarHBondContact O-N 3.31Å
182Q73.9Confident79.4Confident150 Ų15087 Ų8770%0.70144%0.444SS*.Hα-helixtrans-63.6-32.3174-77.1-176.1-3.100112.3S178 D179 I184S178-Q182 WeakPolarHBondContact O-CG 3.45Å; S178-Q182 PolarHBondContact O-N 3.5Å; D179-Q182 PolarHBondContact O-N 3.37Å; Q182-I184 VanDerWaalsContact C-N 3.33Å; Q182-I184 PolarHBondContact O-N 3.07Å
183K80.1Confident79.8Confident177 Ų17783.1 Ų83.177%0.7742%0.424SS*.Hα-helixtrans-71.6-22.8-179.5-169.5173.5-177.9176.60114.1D179 E180 L181 P185D179-K183 PolarHBondContact O-N 3.46Å; D179-K183 VanDerWaalsContact O-N 3.1Å; E180-K183 PolarHBondContact O-N 3.21Å; L181-K183 VanDerWaalsContact C-N 3.26Å; L181-K183 PolarHBondContact O-N 2.88Å; K183-P185 WeakPolarHBondContact O-CD 3.4Å
184I77.3Confident80.4Confident26 Ų2683.7 Ų83.713%0.13343%0.43CS..SBendtrans-83.3101.6175.3-59.3166.1000107.7V145 K148 L152 E180 L181 Q182 G186V145-I184 HydrophobicContact CG1-CG2 4.05Å; V145-I184 HydrophobicContact CG2-CG2 4.4Å; K148-I184 HydrophobicContact CB-CD1 3.9Å; K148-I184 HydrophobicContact CD-CG2 4.36Å; L152-I184 HydrophobicContact CD1-CD1 3.66Å; E180-I184 PolarHBondContact O-N 3.18Å; L181-I184 PolarHBondContact O-N 3.31Å; Q182-I184 VanDerWaalsContact C-N 3.33Å; Q182-I184 PolarHBondContact O-N 3.07Å; I184-G186 PolarHBondContact O-N 3.37Å
185P76.7Confident81Confident102 Ų10285.5 Ų85.566%0.66243%0.434SS*.PPolyproline II helixtrans-65.4136.2177.730-35.9000109.4K183K183-P185 WeakPolarHBondContact O-CD 3.4Å
186G80.2Confident81.3Confident46 Ų4680.5 Ų80.547%0.47441%0.414SS..PPolyproline II helixtrans-64.5154.8167.200000110.5I184 G188I184-G186 PolarHBondContact O-N 3.37Å; G186-G188 PolarHBondContact O-N 3.38Å
187P86Confident81.7Confident17 Ų1778.1 Ų78.111%0.1140%0.404CS..PPolyproline II helixtrans-61.5127.7177.228-33.9000109.8Y138 L141 W142Y138-P187 HydrophobicContact CD2-CB 4.48Å; Y138-P187 HydrophobicContact CE2-CB 3.99Å; Y138-P187 HydrophobicContact CE2-CG 3.93Å; L141-P187 HydrophobicContact CB-CB 3.96Å; L141-P187 HydrophobicContact CD1-CB 4.44Å; W142-P187 HydrophobicContact CD2-CG 3.78Å; W142-P187 VanDerWaalsContact CE2-CG 3.5Å; W142-P187 HydrophobicContact CG-CG 3.82Å; W142-P187 HydrophobicContact CZ2-CG 4.09Å; W142-P187 VanDerWaalsContact NE1-CG 3.34Å
188G84.2Confident82.8Confident27 Ų2781 Ų8128%0.27842%0.423SS..PPolyproline II helixtrans-83.8173-178.700000112.6G186 F190 D191G186-G188 PolarHBondContact O-N 3.38Å; G188-F190 VanDerWaalsContact C-N 3.27Å; G188-F190 PolarHBondContact O-N 2.92Å; G188-D191 PolarHBondContact N-OD2 3.48Å; G188-D191 PolarHBondContact O-N 3.29Å
189W84.2Confident83.6Confident209 Ų20985.7 Ų85.779%0.79243%0.433SS*.G310 helixtrans-68.4-28.6175.4-66.768000112.1D191 L192 F195W189-D191 PolarHBondContact O-N 3.04Å; W189-L192 HydrophobicContact CE3-CD1 4.41Å; W189-L192 WeakPolarHBondContact O-CB 3.5Å; W189-L192 WeakPolarHBondContact O-CD1 3.42Å; W189-L192 WeakPolarHBondContact O-CG 3.36Å; W189-L192 PolarHBondContact O-N 3.03Å; W189-F195 WeakPolarHBondContact O-CD2 3.47Å
190F83.3Confident84.1Confident163 Ų16388.9 Ų88.972%0.71544%0.437SS*.G310 helixtrans-73.7-11.5175.6-63.2-71.3000113.8G188 L192G188-F190 VanDerWaalsContact C-N 3.27Å; G188-F190 PolarHBondContact O-N 2.92Å; F190-L192 VanDerWaalsContact C-N 3.31Å
191D85.7Confident84.9Confident61 Ų6189 Ų8933%0.32644%0.44SS..G310 helixtrans-86.6-5.2173.8-59-42.4000112.2H137 L141 G188 W189 L193H137-D191 PolarHBondContact NE2-O 3.29Å; L141-D191 HydrophobicContact CD1-CB 3.67Å; G188-D191 PolarHBondContact N-OD2 3.48Å; G188-D191 PolarHBondContact O-N 3.29Å; W189-D191 PolarHBondContact O-N 3.04Å; D191-L193 PolarHBondContact O-N 3.37Å
192L89Confident86Confident40 Ų4093.2 Ų93.221%0.20945%0.452CS..SBendtrans-61137.4171.2-67.8165.4000109.4Y138 W189 F190 P194 F195 A196Y138-L192 HydrophobicContact CD2-CD2 3.8Å; Y138-L192 HydrophobicContact CE2-CD2 4.46Å; Y138-L192 HydrophobicContact CG-CD2 4.03Å; W189-L192 HydrophobicContact CE3-CD1 4.41Å; W189-L192 WeakPolarHBondContact O-CB 3.5Å; W189-L192 WeakPolarHBondContact O-CD1 3.42Å; W189-L192 WeakPolarHBondContact O-CG 3.36Å; W189-L192 PolarHBondContact O-N 3.03Å; F190-L192 VanDerWaalsContact C-N 3.31Å; L192-P194 VanDerWaalsContact C-N 3.3Å; L192-P194 WeakPolarHBondContact O-CD 3.38Å; L192-P194 VanDerWaalsContact O-N 3.08Å; L192-F195 HydrophobicContact CB-CD2 4.03Å; L192-F195 HydrophobicContact CB-CE2 4.49Å; L192-F195 HydrophobicContact CD1-CE2 4.32Å; L192-F195 PolarHBondContact O-N 2.95Å; L192-A196 WeakPolarHBondContact O-CB 3.44Å; L192-A196 PolarHBondContact O-N 3.34Å
193L88Confident86.8Confident31 Ų3188 Ų8816%0.16243%0.434CS..Hα-helixtrans-46.1-40.8-175-173.6153.1000114.7F130 A133 T134 H137 D191 F195 A196 I197F130-L193 HydrophobicContact CD2-CD2 3.96Å; F130-L193 HydrophobicContact CE2-CD2 3.37Å; F130-L193 HydrophobicContact CZ-CD2 3.97Å; A133-L193 HydrophobicContact CB-CD1 4.18Å; T134-L193 HydrophobicContact CG2-CB 4.03Å; T134-L193 HydrophobicContact CG2-CD2 4.25Å; H137-L193 HydrophobicContact CB-CB 4.25Å; H137-L193 HydrophobicContact CB-CD1 3.92Å; D191-L193 PolarHBondContact O-N 3.37Å; L193-F195 PolarHBondContact O-N 3.47Å; L193-A196 PolarHBondContact O-N 2.82Å; L193-I197 HydrophobicContact CD2-CD1 3.34Å; L193-I197 HydrophobicContact CD2-CG1 4.21Å; L193-I197 HydrophobicContact CG-CD1 4.02Å; L193-I197 HydrophobicContact CG-CG1 4.45Å; L193-I197 WeakPolarHBondContact O-CB 3.4Å; L193-I197 WeakPolarHBondContact O-CG1 3.33Å; L193-I197 PolarHBondContact O-N 3.01Å
194P87.1Confident87.5Confident42 Ų4282.3 Ų82.327%0.27341%0.412SS..Hα-helixtrans-62-44.2178.3-19.331.9000112.9F130 T134 L192 V198F130-P194 HydrophobicContact CE1-CB 4.07Å; F130-P194 HydrophobicContact CE1-CG 3.62Å; F130-P194 HydrophobicContact CZ-CB 3.72Å; F130-P194 HydrophobicContact CZ-CG 3.58Å; T134-P194 HydrophobicContact CG2-CG 3.76Å; L192-P194 VanDerWaalsContact C-N 3.3Å; L192-P194 WeakPolarHBondContact O-CD 3.38Å; L192-P194 VanDerWaalsContact O-N 3.08Å; P194-V198 WeakPolarHBondContact O-CG2 3.44Å; P194-V198 PolarHBondContact O-N 3.31Å
195F89.7Confident88.3Confident113 Ų11386.2 Ų86.250%0.49643%0.432SS..Hα-helixtrans-77.5-37.4180-55.1-64.7000111.5W189 L192 L193 I197 V198 R199W189-F195 WeakPolarHBondContact O-CD2 3.47Å; L192-F195 HydrophobicContact CB-CD2 4.03Å; L192-F195 HydrophobicContact CB-CE2 4.49Å; L192-F195 HydrophobicContact CD1-CE2 4.32Å; L192-F195 PolarHBondContact O-N 2.95Å; L193-F195 PolarHBondContact O-N 3.47Å; F195-I197 VanDerWaalsContact C-N 3.31Å; F195-I197 PolarHBondContact O-N 3.3Å; F195-V198 PolarHBondContact O-N 2.98Å; F195-R199 WeakPolarHBondContact O-CB 3.26Å; F195-R199 PolarHBondContact O-N 3.1Å
196A88.9Confident89Confident17 Ų1784.9 Ų84.914%0.1442%0.422CS..Hα-helixtrans-60.7-40.617500000111.6L192 L193 R199 W200L192-A196 WeakPolarHBondContact O-CB 3.44Å; L192-A196 PolarHBondContact O-N 3.34Å; L193-A196 PolarHBondContact O-N 2.82Å; A196-R199 PolarHBondContact O-N 2.96Å; A196-W200 VanDerWaalsContact O-CB 3.23Å; A196-W200 WeakPolarHBondContact O-CB 3.23Å; A196-W200 PolarHBondContact O-N 3.23Å
197I89.9Confident89.7Confident70 Ų7088.3 Ų88.336%0.35942%0.424SS..Hα-helixtrans-63.5-46.4175.2-74175.6000111F130 L193 F195 R199 W200 I201F130-I197 HydrophobicContact CE2-CD1 4.33Å; L193-I197 HydrophobicContact CD2-CD1 3.34Å; L193-I197 HydrophobicContact CD2-CG1 4.21Å; L193-I197 HydrophobicContact CG-CD1 4.02Å; L193-I197 HydrophobicContact CG-CG1 4.45Å; L193-I197 WeakPolarHBondContact O-CB 3.4Å; L193-I197 WeakPolarHBondContact O-CG1 3.33Å; L193-I197 PolarHBondContact O-N 3.01Å; F195-I197 VanDerWaalsContact C-N 3.31Å; F195-I197 PolarHBondContact O-N 3.3Å; I197-R199 VanDerWaalsContact C-N 3.33Å; I197-R199 PolarHBondContact O-N 3.26Å; I197-W200 PolarHBondContact O-N 3.5Å; I197-W200 VanDerWaalsContact O-N 3.15Å; I197-I201 HydrophobicContact CG2-CD1 3.56Å; I197-I201 HydrophobicContact CG2-CG1 4.17Å; I197-I201 WeakPolarHBondContact O-CB 3.31Å; I197-I201 VanDerWaalsContact O-CG1 3.27Å; I197-I201 WeakPolarHBondContact O-CG1 3.08Å; I197-I201 PolarHBondContact O-N 3.43Å
198V90.8Very high90Very high100 Ų10091.6 Ų91.661%0.60644%0.439SS*.Hα-helixtrans-60.4-45.4178.1174.40000110.8P194 F195 W200 I201 Y202P194-V198 WeakPolarHBondContact O-CG2 3.44Å; P194-V198 PolarHBondContact O-N 3.31Å; F195-V198 PolarHBondContact O-N 2.98Å; V198-W200 VanDerWaalsContact C-N 3.3Å; V198-W200 PolarHBondContact O-N 3.4Å; V198-I201 PolarHBondContact O-N 2.67Å; V198-Y202 WeakPolarHBondContact O-CB 3.27Å; V198-Y202 PolarHBondContact O-N 3.46Å
199R91.6Very high90.2Very high155 Ų15593.5 Ų93.559%0.58545%0.447SS*.Hα-helixtrans-60.8-40175.4-174.3177.361.976-2111.8F195 A196 I197 A203F195-R199 WeakPolarHBondContact O-CB 3.26Å; F195-R199 PolarHBondContact O-N 3.1Å; A196-R199 PolarHBondContact O-N 2.96Å; I197-R199 VanDerWaalsContact C-N 3.33Å; I197-R199 PolarHBondContact O-N 3.26Å; R199-A203 WeakPolarHBondContact O-CB 3.4Å; R199-A203 PolarHBondContact O-N 3.48Å
200W92.1Very high90.6Very high168 Ų16887.6 Ų87.664%0.63643%0.434SS*.Hα-helixtrans-69.6-42.6178.7-171.173.5000112.3A196 I197 V198 Y202 A203 I204A196-W200 VanDerWaalsContact O-CB 3.23Å; A196-W200 WeakPolarHBondContact O-CB 3.23Å; A196-W200 PolarHBondContact O-N 3.23Å; I197-W200 PolarHBondContact O-N 3.5Å; I197-W200 VanDerWaalsContact O-N 3.15Å; V198-W200 VanDerWaalsContact C-N 3.3Å; V198-W200 PolarHBondContact O-N 3.4Å; W200-Y202 PolarHBondContact O-N 3.22Å; W200-A203 PolarHBondContact O-N 3.27Å; W200-I204 HydrophobicContact CD2-CD1 3.42Å; W200-I204 VanDerWaalsContact CD2-CD1 3.42Å; W200-I204 HydrophobicContact CD2-CG1 4.29Å; W200-I204 VanDerWaalsContact CE2-CD1 3.45Å; W200-I204 HydrophobicContact CE3-CD1 3.33Å; W200-I204 HydrophobicContact CG-CD1 4.27Å; W200-I204 HydrophobicContact CH2-CD1 3.37Å; W200-I204 HydrophobicContact CZ2-CD1 3.46Å; W200-I204 VanDerWaalsContact CZ2-CD1 3.46Å; W200-I204 HydrophobicContact CZ2-CG1 4.46Å; W200-I204 HydrophobicContact CZ3-CD1 3.29Å; W200-I204 VanDerWaalsContact O-CG1 3.31Å; W200-I204 WeakPolarHBondContact O-CG1 3.4Å; W200-I204 PolarHBondContact O-N 3.34Å
201I93.4Very high90.9Very high83 Ų8384.5 Ų84.543%0.42642%0.42SS..Hα-helixtrans-60.3-47.4174.8-70168000110I197 V198 A203 I204 I205I197-I201 HydrophobicContact CG2-CD1 3.56Å; I197-I201 HydrophobicContact CG2-CG1 4.17Å; I197-I201 WeakPolarHBondContact O-CB 3.31Å; I197-I201 VanDerWaalsContact O-CG1 3.27Å; I197-I201 WeakPolarHBondContact O-CG1 3.08Å; I197-I201 PolarHBondContact O-N 3.43Å; V198-I201 PolarHBondContact O-N 2.67Å; I201-A203 PolarHBondContact O-N 3.26Å; I201-I204 PolarHBondContact O-N 2.92Å; I201-I205 HydrophobicContact CG2-CD1 3.8Å; I201-I205 HydrophobicContact CG2-CG1 4.49Å; I201-I205 VanDerWaalsContact O-CG1 3.29Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.78Å
202Y93.3Very high91.1Very high160 Ų16084.6 Ų84.663%0.62742%0.423SS*.Hα-helixtrans-59.3-47.4175.7-179.5-97.8000111.5V198 W200 I204 I205 T206V198-Y202 WeakPolarHBondContact O-CB 3.27Å; V198-Y202 PolarHBondContact O-N 3.46Å; W200-Y202 PolarHBondContact O-N 3.22Å; Y202-I204 VanDerWaalsContact C-N 3.31Å; Y202-I204 PolarHBondContact O-N 3.13Å; Y202-I205 PolarHBondContact O-N 2.9Å; Y202-T206 HydrophobicContact CD1-CG2 4.35Å; Y202-T206 HydrophobicContact CE1-CG2 3.92Å; Y202-T206 HydrophobicContact CE2-CG2 4.36Å; Y202-T206 WeakPolarHBondContact O-CG2 3.47Å; Y202-T206 PolarHBondContact O-N 3.42Å; Y202-T206 PolarHBondContact O-OG1 3.1Å
203A92.1Very high91.1Very high41 Ų4189.4 Ų89.434%0.33945%0.445SS..Hα-helixtrans-59.4-40.7177.400000112.2R199 W200 I201 T206 F207R199-A203 WeakPolarHBondContact O-CB 3.4Å; R199-A203 PolarHBondContact O-N 3.48Å; W200-A203 PolarHBondContact O-N 3.27Å; I201-A203 PolarHBondContact O-N 3.26Å; A203-T206 WeakPolarHBondContact CA-OG1 3.39Å; A203-T206 PolarHBondContact O-N 3.2Å; A203-T206 PolarHBondContact O-OG1 2.84Å; A203-F207 WeakPolarHBondContact O-CB 3.24Å; A203-F207 PolarHBondContact O-N 3.47Å
204I93.3Very high91.2Very high58 Ų5893.6 Ų93.630%0.29746%0.462SS..Hα-helixtrans-62.8-49.5174.9-73.9167.6000110.8W200 I201 Y202 T206 F207 I208W200-I204 HydrophobicContact CD2-CD1 3.42Å; W200-I204 VanDerWaalsContact CD2-CD1 3.42Å; W200-I204 HydrophobicContact CD2-CG1 4.29Å; W200-I204 VanDerWaalsContact CE2-CD1 3.45Å; W200-I204 HydrophobicContact CE3-CD1 3.33Å; W200-I204 HydrophobicContact CG-CD1 4.27Å; W200-I204 HydrophobicContact CH2-CD1 3.37Å; W200-I204 HydrophobicContact CZ2-CD1 3.46Å; W200-I204 VanDerWaalsContact CZ2-CD1 3.46Å; W200-I204 HydrophobicContact CZ2-CG1 4.46Å; W200-I204 HydrophobicContact CZ3-CD1 3.29Å; W200-I204 VanDerWaalsContact O-CG1 3.31Å; W200-I204 WeakPolarHBondContact O-CG1 3.4Å; W200-I204 PolarHBondContact O-N 3.34Å; I201-I204 PolarHBondContact O-N 2.92Å; Y202-I204 VanDerWaalsContact C-N 3.31Å; Y202-I204 PolarHBondContact O-N 3.13Å; I204-T206 PolarHBondContact O-N 2.73Å; I204-F207 CarbonylContact O-C 3.56Å; I204-F207 PolarHBondContact O-N 3.25Å; I204-I208 HydrophobicContact CG2-CD1 3.71Å; I204-I208 HydrophobicContact CG2-CG1 3.94Å; I204-I208 VanDerWaalsContact O-CG1 3.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.29Å; I204-I208 PolarHBondContact O-N 3.01Å
205I94.1Very high91.4Very high108 Ų10894.7 Ų94.755%0.55447%0.465SS*.Hα-helixtrans-56-41.9179.7-68.2165.5000110.1I201 Y202 P209I201-I205 HydrophobicContact CG2-CD1 3.8Å; I201-I205 HydrophobicContact CG2-CG1 4.49Å; I201-I205 VanDerWaalsContact O-CG1 3.29Å; I201-I205 WeakPolarHBondContact O-CG1 3.48Å; I201-I205 PolarHBondContact O-N 2.78Å; Y202-I205 PolarHBondContact O-N 2.9Å; I205-P209 WeakPolarHBondContact O-CD 3.39Å
206T92.4Very high91.5Very high73 Ų7394.1 Ų94.145%0.44847%0.467SS..Hα-helixtrans-71.7-28.3176600000114Y202 A203 I204 P209Y202-T206 HydrophobicContact CD1-CG2 4.35Å; Y202-T206 HydrophobicContact CE1-CG2 3.92Å; Y202-T206 HydrophobicContact CE2-CG2 4.36Å; Y202-T206 WeakPolarHBondContact O-CG2 3.47Å; Y202-T206 PolarHBondContact O-N 3.42Å; Y202-T206 PolarHBondContact O-OG1 3.1Å; A203-T206 WeakPolarHBondContact CA-OG1 3.39Å; A203-T206 PolarHBondContact O-N 3.2Å; A203-T206 PolarHBondContact O-OG1 2.84Å; I204-T206 PolarHBondContact O-N 2.73Å; T206-P209 WeakPolarHBondContact O-CD 3.37Å
207F94Very high91.5Very high119 Ų11995 Ų9552%0.52248%0.477SS..Hα-helixtrans-87.8-27.3-176.4-175.5-104.7000113.6A203 I204 V210 F211A203-F207 WeakPolarHBondContact O-CB 3.24Å; A203-F207 PolarHBondContact O-N 3.47Å; I204-F207 CarbonylContact O-C 3.56Å; I204-F207 PolarHBondContact O-N 3.25Å; F207-V210 PolarHBondContact O-N 2.87Å; F207-F211 HydrophobicContact CD1-CB 3.88Å; F207-F211 HydrophobicContact CD1-CG 4.35Å; F207-F211 HydrophobicContact CE1-CB 3.64Å; F207-F211 AromaticContact CE1-CD2 3.57Å; F207-F211 HydrophobicContact CE1-CD2 3.57Å; F207-F211 HydrophobicContact CE1-CE2 4.45Å; F207-F211 AromaticContact CE1-CG 3.79Å; F207-F211 HydrophobicContact CE1-CG 3.79Å; F207-F211 HydrophobicContact CZ-CB 4.26Å; F207-F211 HydrophobicContact CZ-CD2 4.03Å; F207-F211 WeakPolarHBondContact O-CB 3.37Å; F207-F211 PolarHBondContact O-N 3.39Å
208I92.3Very high91.5Very high85 Ų8597 Ų9744%0.43648%0.483SS..Hα-helixtrans-46.8-51.9178.6-77.7165.4000112.8I204 V210 F211 T212I204-I208 HydrophobicContact CG2-CD1 3.71Å; I204-I208 HydrophobicContact CG2-CG1 3.94Å; I204-I208 VanDerWaalsContact O-CG1 3.24Å; I204-I208 WeakPolarHBondContact O-CG1 3.29Å; I204-I208 PolarHBondContact O-N 3.01Å; I208-V210 PolarHBondContact O-N 3.16Å; I208-F211 WeakPolarHBondContact O-CB 3.5Å; I208-F211 PolarHBondContact O-N 2.96Å; I208-T212 HydrophobicContact CG2-CG2 4.13Å; I208-T212 VanDerWaalsContact O-CG2 3.27Å; I208-T212 WeakPolarHBondContact O-CG2 3.46Å; I208-T212 PolarHBondContact O-N 3.02Å; I208-T212 PolarHBondContact O-OG1 3.2Å
209P89.7Confident91.5Very high67 Ų6797 Ų9744%0.43548%0.479SS..Hα-helixtrans-59.9-49.6-177.220.5-32.2000112.3I205 T206 F211 T212 E213I205-P209 WeakPolarHBondContact O-CD 3.39Å; T206-P209 WeakPolarHBondContact O-CD 3.37Å; P209-F211 VanDerWaalsContact C-N 3.25Å; P209-F211 PolarHBondContact O-N 3.47Å; P209-T212 PolarHBondContact O-N 3.5Å; P209-T212 VanDerWaalsContact O-N 3.12Å; P209-T212 PolarHBondContact O-OG1 3.4Å; P209-E213 PolarHBondContact O-N 3.46Å
210V91.2Very high91.5Very high86 Ų8692.6 Ų92.652%0.52147%0.472SS..Hα-helixtrans-59.3-39.5177.5-179.60000111.1F207 I208 F214F207-V210 PolarHBondContact O-N 2.87Å; I208-V210 PolarHBondContact O-N 3.16Å; V210-F214 WeakPolarHBondContact O-CB 3.46Å; V210-F214 PolarHBondContact O-N 3.3Å
211F91.3Very high91.5Very high98 Ų9891 Ų9143%0.4347%0.471SS..Hα-helixtrans-68.3-39.7177.8-170.6-114.5000112.5F207 I208 P209 F214 I215F207-F211 HydrophobicContact CD1-CB 3.88Å; F207-F211 HydrophobicContact CD1-CG 4.35Å; F207-F211 HydrophobicContact CE1-CB 3.64Å; F207-F211 AromaticContact CE1-CD2 3.57Å; F207-F211 HydrophobicContact CE1-CD2 3.57Å; F207-F211 HydrophobicContact CE1-CE2 4.45Å; F207-F211 AromaticContact CE1-CG 3.79Å; F207-F211 HydrophobicContact CE1-CG 3.79Å; F207-F211 HydrophobicContact CZ-CB 4.26Å; F207-F211 HydrophobicContact CZ-CD2 4.03Å; F207-F211 WeakPolarHBondContact O-CB 3.37Å; F207-F211 PolarHBondContact O-N 3.39Å; I208-F211 WeakPolarHBondContact O-CB 3.5Å; I208-F211 PolarHBondContact O-N 2.96Å; P209-F211 VanDerWaalsContact C-N 3.25Å; P209-F211 PolarHBondContact O-N 3.47Å; F211-F214 PolarHBondContact O-N 3.36Å; F211-I215 HydrophobicContact CD1-CD1 3.59Å; F211-I215 HydrophobicContact CE1-CD1 3.22Å; F211-I215 HydrophobicContact CE1-CG1 4.27Å; F211-I215 HydrophobicContact CE2-CD1 4.29Å; F211-I215 HydrophobicContact CG-CD1 4.28Å; F211-I215 HydrophobicContact CZ-CD1 3.62Å; F211-I215 HydrophobicContact CZ-CG1 4.28Å; F211-I215 WeakPolarHBondContact O-CG1 3.35Å; F211-I215 PolarHBondContact O-N 3.43Å
212T89.4Confident91.4Very high63 Ų6393.6 Ų93.639%0.38748%0.48SS..Hα-helixtrans-66.6-39.5176.261.40000112.1I208 P209 I215 N216I208-T212 HydrophobicContact CG2-CG2 4.13Å; I208-T212 VanDerWaalsContact O-CG2 3.27Å; I208-T212 WeakPolarHBondContact O-CG2 3.46Å; I208-T212 PolarHBondContact O-N 3.02Å; I208-T212 PolarHBondContact O-OG1 3.2Å; P209-T212 PolarHBondContact O-N 3.5Å; P209-T212 VanDerWaalsContact O-N 3.12Å; P209-T212 PolarHBondContact O-OG1 3.4Å; T212-I215 PolarHBondContact O-N 3.48Å; T212-N216 WeakPolarHBondContact O-CB 3.45Å; T212-N216 PolarHBondContact O-N 3.22Å; T212-N216 PolarHBondContact O-ND2 3.28Å
213E88.1Confident91.4Very high141 Ų14190.2 Ų90.266%0.65947%0.472SS*.Hα-helixtrans-62.8-44173.3-71.4-177.2168.200111.5P209 I215 N216 G217P209-E213 PolarHBondContact O-N 3.46Å; E213-I215 PolarHBondContact O-N 3.03Å; E213-N216 PolarHBondContact O-N 2.93Å; E213-G217 PolarHBondContact O-N 3.25Å
214F91.6Very high91.4Very high119 Ų11993.2 Ų93.252%0.52248%0.479SS..Hα-helixtrans-61.3-43176.5-179.9-100.6000112.7V210 F211 K218V210-F214 WeakPolarHBondContact O-CB 3.46Å; V210-F214 PolarHBondContact O-N 3.3Å; F211-F214 PolarHBondContact O-N 3.36Å; F214-K218 HydrophobicContact CE1-CD 4.02Å; F214-K218 HydrophobicContact CZ-CD 4.02Å; F214-K218 VanDerWaalsContact CZ-CE 3.43Å; F214-K218 PolarHBondContact O-N 3.22Å; F214-K218 VanDerWaalsContact O-N 3.11Å
215I91.3Very high91.4Very high65 Ų6595.7 Ų95.733%0.33349%0.489SS..Hα-helixtrans-64.3-47.5176.1-72.1169.6000110.5F211 T212 E213 G217 K218 I219F211-I215 HydrophobicContact CD1-CD1 3.59Å; F211-I215 HydrophobicContact CE1-CD1 3.22Å; F211-I215 HydrophobicContact CE1-CG1 4.27Å; F211-I215 HydrophobicContact CE2-CD1 4.29Å; F211-I215 HydrophobicContact CG-CD1 4.28Å; F211-I215 HydrophobicContact CZ-CD1 3.62Å; F211-I215 HydrophobicContact CZ-CG1 4.28Å; F211-I215 WeakPolarHBondContact O-CG1 3.35Å; F211-I215 PolarHBondContact O-N 3.43Å; T212-I215 PolarHBondContact O-N 3.48Å; E213-I215 PolarHBondContact O-N 3.03Å; I215-G217 VanDerWaalsContact C-N 3.32Å; I215-G217 PolarHBondContact O-N 3.07Å; I215-K218 PolarHBondContact O-N 2.68Å; I215-I219 HydrophobicContact CG2-CD1 3.55Å; I215-I219 HydrophobicContact CG2-CG1 4.38Å; I215-I219 VanDerWaalsContact O-CG1 3.28Å; I215-I219 WeakPolarHBondContact O-CG1 3.31Å; I215-I219 PolarHBondContact O-N 2.97Å
216N90.5Very high91.4Very high101 Ų10198.4 Ų98.454%0.5449%0.493SS..Hα-helixtrans-62.8-39.5-179.6-71.1-14.8000111.7T212 E213 I219 S220T212-N216 WeakPolarHBondContact O-CB 3.45Å; T212-N216 PolarHBondContact O-N 3.22Å; T212-N216 PolarHBondContact O-ND2 3.28Å; E213-N216 PolarHBondContact O-N 2.93Å; N216-I219 PolarHBondContact O-N 3.34Å; N216-S220 PolarHBondContact O-N 2.96Å; N216-S220 PolarHBondContact O-OG 3.3Å
217G89.3Confident91.5Very high35 Ų35100.8 Ų100.836%0.36149%0.493SS..Hα-helixtrans-59.5-52.1174.200000111.9E213 I215 I219 S220 E221E213-G217 PolarHBondContact O-N 3.25Å; I215-G217 VanDerWaalsContact C-N 3.32Å; I215-G217 PolarHBondContact O-N 3.07Å; G217-I219 VanDerWaalsContact C-N 3.27Å; G217-I219 PolarHBondContact O-N 3.19Å; G217-S220 PolarHBondContact O-N 3.48Å; G217-S220 VanDerWaalsContact O-N 3.1Å; G217-S220 PolarHBondContact O-OG 3.02Å; G217-E221 PolarHBondContact O-N 2.81Å
218K89Confident91.5Very high112 Ų11299.5 Ų99.549%0.48749%0.489SS..Hα-helixtrans-61.5-33.2176.6-83.5-166.6172.2-1790113.8F214 I215 K222F214-K218 HydrophobicContact CE1-CD 4.02Å; F214-K218 HydrophobicContact CZ-CD 4.02Å; F214-K218 VanDerWaalsContact CZ-CE 3.43Å; F214-K218 PolarHBondContact O-N 3.22Å; F214-K218 VanDerWaalsContact O-N 3.11Å; I215-K218 PolarHBondContact O-N 2.68Å; K218-K222 WeakPolarHBondContact O-CG 3.44Å; K218-K222 PolarHBondContact O-N 3.07Å
219I92.2Very high91.7Very high99 Ų99100.1 Ų100.151%0.50849%0.493SS..Hα-helixtrans-69-41.9175.1-70.6165.5000110.4I215 N216 G217 K222 L223I215-I219 HydrophobicContact CG2-CD1 3.55Å; I215-I219 HydrophobicContact CG2-CG1 4.38Å; I215-I219 VanDerWaalsContact O-CG1 3.28Å; I215-I219 WeakPolarHBondContact O-CG1 3.31Å; I215-I219 PolarHBondContact O-N 2.97Å; N216-I219 PolarHBondContact O-N 3.34Å; G217-I219 VanDerWaalsContact C-N 3.27Å; G217-I219 PolarHBondContact O-N 3.19Å; I219-K222 PolarHBondContact O-N 2.9Å; I219-L223 VanDerWaalsContact O-CB 3.3Å; I219-L223 WeakPolarHBondContact O-CB 3.26Å; I219-L223 PolarHBondContact O-N 3.1Å
220S90.7Very high92Very high63 Ų63104.8 Ų104.844%0.44150%0.502SS..Hα-helixtrans-64.5-40.317968.10000112.9N216 G217 L223 Q224N216-S220 PolarHBondContact O-N 2.96Å; N216-S220 PolarHBondContact O-OG 3.3Å; G217-S220 PolarHBondContact O-N 3.48Å; G217-S220 VanDerWaalsContact O-N 3.1Å; G217-S220 PolarHBondContact O-OG 3.02Å; S220-L223 PolarHBondContact O-N 2.78Å; S220-Q224 WeakPolarHBondContact O-CB 3.49Å; S220-Q224 PolarHBondContact O-N 3.21Å
221E91.6Very high92.3Very high134 Ų134105.4 Ų105.463%0.62650%0.499SS*.Hα-helixtrans-63.1-50.6176.6-173.1-179.1-17000110.9G217 L223 Q224 E225G217-E221 PolarHBondContact O-N 2.81Å; E221-L223 PolarHBondContact O-N 3.27Å; E221-Q224 PolarHBondContact O-N 3.33Å; E221-Q224 VanDerWaalsContact O-N 3.08Å; E221-E225 PolarHBondContact O-N 3.44Å
222K91.8Very high92.5Very high139 Ų139106.8 Ų106.860%0.60451%0.507SS*.Hα-helixtrans-61.2-33.1175.5-75.3-172.8174.9-171.80113.2K218 I219 R226K218-K222 WeakPolarHBondContact O-CG 3.44Å; K218-K222 PolarHBondContact O-N 3.07Å; I219-K222 PolarHBondContact O-N 2.9Å; K222-R226 WeakPolarHBondContact O-CB 3.42Å; K222-R226 VanDerWaalsContact O-CG 3.32Å; K222-R226 WeakPolarHBondContact O-CG 3.5Å; K222-R226 PolarHBondContact O-N 2.95Å
223L93.8Very high92.8Very high88 Ų88106.5 Ų106.546%0.46151%0.511SS..Hα-helixtrans-71-36.1176.9-171.169000111.2I219 S220 E221 R227I219-L223 VanDerWaalsContact O-CB 3.3Å; I219-L223 WeakPolarHBondContact O-CB 3.26Å; I219-L223 PolarHBondContact O-N 3.1Å; S220-L223 PolarHBondContact O-N 2.78Å; E221-L223 PolarHBondContact O-N 3.27Å; L223-R227 WeakPolarHBondContact O-CG 3.43Å; L223-R227 PolarHBondContact O-N 3.48Å
224Q92.5Very high93.3Very high105 Ų105107.5 Ų107.549%0.49151%0.508SS..Hα-helixtrans-72.2-45.7177.9-175.8165.2-2000112S220 E221 R226 R227 E228S220-Q224 WeakPolarHBondContact O-CB 3.49Å; S220-Q224 PolarHBondContact O-N 3.21Å; E221-Q224 PolarHBondContact O-N 3.33Å; E221-Q224 VanDerWaalsContact O-N 3.08Å; Q224-R226 VanDerWaalsContact C-N 3.25Å; Q224-R226 PolarHBondContact O-N 3.49Å; Q224-R227 WeakPolarHBondContact O-CA 3.21Å; Q224-R227 WeakPolarHBondContact O-CB 3.37Å; Q224-R227 PolarHBondContact O-N 2.92Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.42Å; Q224-E228 PolarHBondContact NE2-OE1 2.92Å; Q224-E228 VanDerWaalsContact NE2-OE1 3.12Å; Q224-E228 PolarHBondContact O-N 2.94Å
225E93.5Very high93.6Very high109 Ų109106 Ų10651%0.50951%0.505SS..Hα-helixtrans-54.7-42.8173-174.9-174-173.900111.2E221 R227 E228 L229E221-E225 PolarHBondContact O-N 3.44Å; E225-R227 VanDerWaalsContact C-N 3.29Å; E225-R227 PolarHBondContact O-N 3.24Å; E225-E228 PolarHBondContact O-N 3.46Å; E225-L229 HydrophobicContact CG-CD1 4.25Å; E225-L229 WeakPolarHBondContact O-CB 3.27Å; E225-L229 WeakPolarHBondContact O-CG 3.31Å; E225-L229 PolarHBondContact O-N 2.99Å
226R92.9Very high93.9Very high166 Ų166107.1 Ų107.163%0.62651%0.511SS*.Hα-helixtrans-65.1-28.2174.9-79.1-177.1172.9-141.1-2.8114.1K222 Q224 R230K222-R226 WeakPolarHBondContact O-CB 3.42Å; K222-R226 VanDerWaalsContact O-CG 3.32Å; K222-R226 WeakPolarHBondContact O-CG 3.5Å; K222-R226 PolarHBondContact O-N 2.95Å; Q224-R226 VanDerWaalsContact C-N 3.25Å; Q224-R226 PolarHBondContact O-N 3.49Å; R226-R230 WeakPolarHBondContact O-CD 3.45Å; R226-R230 VanDerWaalsContact O-CG 3.26Å; R226-R230 WeakPolarHBondContact O-CG 3.49Å; R226-R230 PolarHBondContact O-N 3.41Å
227R94.4Very high94.1Very high122 Ų122107.8 Ų107.846%0.4651%0.511SS..Hα-helixtrans-74.8-47.6174.8-77.5-175.3-79.2-119.60.8110.1L223 Q224 E225 L229 R230 E231L223-R227 WeakPolarHBondContact O-CG 3.43Å; L223-R227 PolarHBondContact O-N 3.48Å; Q224-R227 WeakPolarHBondContact O-CA 3.21Å; Q224-R227 WeakPolarHBondContact O-CB 3.37Å; Q224-R227 PolarHBondContact O-N 2.92Å; E225-R227 VanDerWaalsContact C-N 3.29Å; E225-R227 PolarHBondContact O-N 3.24Å; R227-L229 PolarHBondContact O-N 3.49Å; R227-R230 WeakPolarHBondContact O-CB 3.27Å; R227-R230 PolarHBondContact O-N 3.4Å; R227-R230 VanDerWaalsContact O-N 3.09Å; R227-E231 WeakPolarHBondContact O-CG 3.48Å; R227-E231 PolarHBondContact O-N 2.8Å
228E95.1Very high94.5Very high93 Ų93110.7 Ų110.744%0.43552%0.515SS..Hα-helixtrans-58.6-47.4179.3-68.9169.2-171.900111.3Q224 E225 R230 E231 E232Q224-E228 WeakPolarHBondContact CG-OE1 3.42Å; Q224-E228 PolarHBondContact NE2-OE1 2.92Å; Q224-E228 VanDerWaalsContact NE2-OE1 3.12Å; Q224-E228 PolarHBondContact O-N 2.94Å; E225-E228 PolarHBondContact O-N 3.46Å; E228-R230 VanDerWaalsContact C-N 3.28Å; E228-R230 PolarHBondContact O-N 3.15Å; E228-E231 WeakPolarHBondContact O-CB 3.23Å; E228-E231 PolarHBondContact O-N 2.84Å; E228-E232 WeakPolarHBondContact O-CG 3.29Å; E228-E232 PolarHBondContact O-N 3.4Å
229L96.7Very high94.9Very high98 Ų98111.9 Ų111.951%0.51352%0.52SS..Hα-helixtrans-59.8-34.9175.7-71.2171.4000113.6E225 R227 A233E225-L229 HydrophobicContact CG-CD1 4.25Å; E225-L229 WeakPolarHBondContact O-CB 3.27Å; E225-L229 WeakPolarHBondContact O-CG 3.31Å; E225-L229 PolarHBondContact O-N 2.99Å; R227-L229 PolarHBondContact O-N 3.49Å; L229-A233 WeakPolarHBondContact O-CB 3.29Å; L229-A233 PolarHBondContact O-N 3.36Å
230R96.2Very high95.2Very high165 Ų165114.9 Ų114.962%0.62353%0.525SS*.Hα-helixtrans-70.6-36175.8-75.8172.7-177.71720.2111.5R226 R227 E228 R234R226-R230 WeakPolarHBondContact O-CD 3.45Å; R226-R230 VanDerWaalsContact O-CG 3.26Å; R226-R230 WeakPolarHBondContact O-CG 3.49Å; R226-R230 PolarHBondContact O-N 3.41Å; R227-R230 WeakPolarHBondContact O-CB 3.27Å; R227-R230 PolarHBondContact O-N 3.4Å; R227-R230 VanDerWaalsContact O-N 3.09Å; E228-R230 VanDerWaalsContact C-N 3.28Å; E228-R230 PolarHBondContact O-N 3.15Å; R230-R234 WeakPolarHBondContact O-CG 3.49Å; R230-R234 PolarHBondContact O-N 2.9Å; R230-R234 VanDerWaalsContact O-N 3.1Å
231E95.9Very high95.5Very high99 Ų99116.9 Ų116.946%0.46353%0.528SS..Hα-helixtrans-69.2-45177.1-66.6-172.3168.400111.5R227 E228 A233 R234 I235R227-E231 WeakPolarHBondContact O-CG 3.48Å; R227-E231 PolarHBondContact O-N 2.8Å; E228-E231 WeakPolarHBondContact O-CB 3.23Å; E228-E231 PolarHBondContact O-N 2.84Å; E231-A233 VanDerWaalsContact C-N 3.3Å; E231-A233 PolarHBondContact O-N 3.26Å; E231-R234 WeakPolarHBondContact O-CB 3.38Å; E231-R234 PolarHBondContact O-N 3.43Å; E231-R234 VanDerWaalsContact O-N 3.15Å; E231-R234 IonicContact OE1-NH2 2.91Å; E231-I235 WeakPolarHBondContact O-CG1 3.48Å; E231-I235 PolarHBondContact O-N 3.05Å
232E95.8Very high95.7Very high126 Ų126116.6 Ų116.659%0.58952%0.524SS*.Hα-helixtrans-58.6-42.7173.8-70.4-176.8166.900111.9E228 R234 I235 L236E228-E232 WeakPolarHBondContact O-CG 3.29Å; E228-E232 PolarHBondContact O-N 3.4Å; E232-R234 PolarHBondContact O-N 3.35Å; E232-I235 PolarHBondContact O-N 3.37Å; E232-L236 VanDerWaalsContact O-CB 3.31Å; E232-L236 WeakPolarHBondContact O-CB 3.21Å; E232-L236 PolarHBondContact O-N 3.37Å
233A96.8Very high96Very high57 Ų57114.4 Ų114.447%0.47152%0.519SS..Hα-helixtrans-62.1-40.8175.800000112.4L229 E231 L236 Q237L229-A233 WeakPolarHBondContact O-CB 3.29Å; L229-A233 PolarHBondContact O-N 3.36Å; E231-A233 VanDerWaalsContact C-N 3.3Å; E231-A233 PolarHBondContact O-N 3.26Å; A233-L236 PolarHBondContact O-N 3.18Å; A233-Q237 WeakPolarHBondContact O-CB 3.38Å; A233-Q237 PolarHBondContact O-N 3.24Å
234R96.9Very high96.2Very high162 Ų162117.1 Ų117.161%0.61153%0.527SS*.Hα-helixtrans-63.2-46.8175.1-73.7-170.1-61.5174.32111.7R230 E231 E232 L236 Q237 E238R230-R234 WeakPolarHBondContact O-CG 3.49Å; R230-R234 PolarHBondContact O-N 2.9Å; R230-R234 VanDerWaalsContact O-N 3.1Å; E231-R234 WeakPolarHBondContact O-CB 3.38Å; E231-R234 PolarHBondContact O-N 3.43Å; E231-R234 VanDerWaalsContact O-N 3.15Å; E231-R234 IonicContact OE1-NH2 2.91Å; E232-R234 PolarHBondContact O-N 3.35Å; R234-L236 VanDerWaalsContact C-N 3.35Å; R234-L236 PolarHBondContact O-N 3.42Å; R234-Q237 PolarHBondContact O-N 3.07Å; R234-E238 PolarHBondContact O-N 3.23Å
235I97.8Very high96.4Very high87 Ų87114.7 Ų114.745%0.44653%0.525SS..Hα-helixtrans-63.5-42.5179.1-66.8166.9000110.6E231 E232 Q237 E238 K239E231-I235 WeakPolarHBondContact O-CG1 3.48Å; E231-I235 PolarHBondContact O-N 3.05Å; E232-I235 PolarHBondContact O-N 3.37Å; I235-Q237 VanDerWaalsContact C-N 3.32Å; I235-Q237 PolarHBondContact O-N 3.32Å; I235-E238 PolarHBondContact O-N 2.9Å; I235-K239 HydrophobicContact CG2-CD 4.29Å; I235-K239 WeakPolarHBondContact O-CB 3.4Å; I235-K239 WeakPolarHBondContact O-CG 3.17Å; I235-K239 PolarHBondContact O-N 3.46Å
236L97.5Very high96.6Very high90 Ų90114.3 Ų114.347%0.47153%0.526SS..Hα-helixtrans-63.9-39.6177-176.464.5000111.5E232 A233 R234 K239 R240E232-L236 VanDerWaalsContact O-CB 3.31Å; E232-L236 WeakPolarHBondContact O-CB 3.21Å; E232-L236 PolarHBondContact O-N 3.37Å; A233-L236 PolarHBondContact O-N 3.18Å; R234-L236 VanDerWaalsContact C-N 3.35Å; R234-L236 PolarHBondContact O-N 3.42Å; L236-K239 PolarHBondContact O-N 2.88Å; L236-R240 VanDerWaalsContact O-CG 3.31Å; L236-R240 WeakPolarHBondContact O-CG 3.32Å; L236-R240 PolarHBondContact O-N 3.37Å
237Q96.6Very high96.8Very high114 Ų114112.5 Ų112.553%0.53352%0.523SS..Hα-helixtrans-63.8-46.9175.1-177176.6-21.700111.4A233 R234 I235 K239 R240 E241A233-Q237 WeakPolarHBondContact O-CB 3.38Å; A233-Q237 PolarHBondContact O-N 3.24Å; R234-Q237 PolarHBondContact O-N 3.07Å; I235-Q237 VanDerWaalsContact C-N 3.32Å; I235-Q237 PolarHBondContact O-N 3.32Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 3.33Å; Q237-R240 WeakPolarHBondContact O-CB 3.31Å; Q237-R240 PolarHBondContact O-N 3.05Å; Q237-R240 VanDerWaalsContact O-N 3.09Å; Q237-E241 WeakPolarHBondContact CG-OE1 3.44Å; Q237-E241 PolarHBondContact NE2-OE1 3.17Å; Q237-E241 WeakPolarHBondContact O-CG 3.48Å; Q237-E241 PolarHBondContact O-N 2.97Å
238E97.3Very high96.9Very high96 Ų96111.8 Ų111.845%0.44953%0.525SS..Hα-helixtrans-59.6-42.5176.5-169-169.716300111.4R234 I235 R240 E241 K242R234-E238 PolarHBondContact O-N 3.23Å; I235-E238 PolarHBondContact O-N 2.9Å; E238-R240 VanDerWaalsContact C-N 3.35Å; E238-R240 PolarHBondContact O-N 3Å; E238-E241 PolarHBondContact O-N 3.07Å; E238-K242 HydrophobicContact CG-CD 4.49Å; E238-K242 WeakPolarHBondContact O-CB 3.23Å; E238-K242 WeakPolarHBondContact O-CG 3.12Å; E238-K242 PolarHBondContact O-N 3.06Å; E238-K242 WeakPolarHBondContact OE1-CE 3.02Å; E238-K242 IonicContact OE1-NZ 2.66Å; E238-K242 PolarHBondContact OE1-NZ 3.47Å
239K97.8Very high96.9Very high137 Ų137111.6 Ų111.660%0.59652%0.524SS*.Hα-helixtrans-60.6-42.3173.6-75.3176.9180178.50112I235 L236 Q237 L243I235-K239 HydrophobicContact CG2-CD 4.29Å; I235-K239 WeakPolarHBondContact O-CB 3.4Å; I235-K239 WeakPolarHBondContact O-CG 3.17Å; I235-K239 PolarHBondContact O-N 3.46Å; L236-K239 PolarHBondContact O-N 2.88Å; Q237-K239 VanDerWaalsContact C-N 3.32Å; Q237-K239 PolarHBondContact O-N 3.33Å; K239-L243 VanDerWaalsContact O-CB 3.32Å; K239-L243 WeakPolarHBondContact O-CB 3.28Å; K239-L243 PolarHBondContact O-N 2.97Å
240R97.3Very high96.9Very high162 Ų162115.1 Ų115.161%0.61153%0.53SS*.Hα-helixtrans-64.7-39.2176.3-75.8174.8175.8-169.9-0.2111.7L236 Q237 E238 K244L236-R240 VanDerWaalsContact O-CG 3.31Å; L236-R240 WeakPolarHBondContact O-CG 3.32Å; L236-R240 PolarHBondContact O-N 3.37Å; Q237-R240 WeakPolarHBondContact O-CB 3.31Å; Q237-R240 PolarHBondContact O-N 3.05Å; Q237-R240 VanDerWaalsContact O-N 3.09Å; E238-R240 VanDerWaalsContact C-N 3.35Å; E238-R240 PolarHBondContact O-N 3Å; R240-K244 VanDerWaalsContact O-CG 3.3Å; R240-K244 WeakPolarHBondContact O-CG 3.45Å; R240-K244 PolarHBondContact O-N 3.42Å
241E96.5Very high96.8Very high106 Ų106114.4 Ų114.450%0.49553%0.532SS..Hα-helixtrans-68.3-44.5176.7-73174.4-168.600111.8Q237 E238 L243 K244 A245Q237-E241 WeakPolarHBondContact CG-OE1 3.44Å; Q237-E241 PolarHBondContact NE2-OE1 3.17Å; Q237-E241 WeakPolarHBondContact O-CG 3.48Å; Q237-E241 PolarHBondContact O-N 2.97Å; E238-E241 PolarHBondContact O-N 3.07Å; E241-L243 VanDerWaalsContact C-N 3.35Å; E241-L243 PolarHBondContact O-N 3.34Å; E241-K244 PolarHBondContact O-N 3.42Å; E241-A245 WeakPolarHBondContact O-CB 3.29Å; E241-A245 PolarHBondContact O-N 3.41Å
242K97.6Very high96.8Very high128 Ų128117.6 Ų117.656%0.55754%0.539SS*.Hα-helixtrans-58.7-44.2173-74.3178-177.7170.30112.1E238 K244 A245 D246E238-K242 HydrophobicContact CG-CD 4.49Å; E238-K242 WeakPolarHBondContact O-CB 3.23Å; E238-K242 WeakPolarHBondContact O-CG 3.12Å; E238-K242 PolarHBondContact O-N 3.06Å; E238-K242 WeakPolarHBondContact OE1-CE 3.02Å; E238-K242 IonicContact OE1-NZ 2.66Å; E238-K242 PolarHBondContact OE1-NZ 3.47Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 2.7Å; K242-A245 PolarHBondContact O-N 3Å; K242-D246 WeakPolarHBondContact O-CB 3.48Å; K242-D246 PolarHBondContact O-N 2.88Å
243L97.6Very high96.7Very high92 Ų92119 Ų11948%0.48254%0.54SS..Hα-helixtrans-65.5-36.2177.1-177.1148.4000112.3K239 E241 K247K239-L243 VanDerWaalsContact O-CB 3.32Å; K239-L243 WeakPolarHBondContact O-CB 3.28Å; K239-L243 PolarHBondContact O-N 2.97Å; E241-L243 VanDerWaalsContact C-N 3.35Å; E241-L243 PolarHBondContact O-N 3.34Å; L243-K247 HydrophobicContact CD2-CD 3.79Å; L243-K247 VanDerWaalsContact CD2-CE 3.47Å; L243-K247 HydrophobicContact CD2-CG 4.41Å; L243-K247 WeakPolarHBondContact O-CB 3.46Å; L243-K247 VanDerWaalsContact O-CG 3.28Å; L243-K247 WeakPolarHBondContact O-CG 3.42Å; L243-K247 PolarHBondContact O-N 3.41Å
244K97.7Very high96.6Very high145 Ų145120.5 Ų120.563%0.6354%0.539SS*.Hα-helixtrans-66.7-42.3172.7-75.8175-179.1-178.10111.6R240 E241 K242 K247 Q248R240-K244 VanDerWaalsContact O-CG 3.3Å; R240-K244 WeakPolarHBondContact O-CG 3.45Å; R240-K244 PolarHBondContact O-N 3.42Å; E241-K244 PolarHBondContact O-N 3.42Å; K242-K244 VanDerWaalsContact C-N 3.34Å; K242-K244 PolarHBondContact O-N 2.7Å; K244-K247 PolarHBondContact O-N 3.37Å; K244-Q248 WeakPolarHBondContact O-CB 3.47Å; K244-Q248 PolarHBondContact O-N 3.26Å
245A97Very high96.5Very high55 Ų55117 Ų11746%0.45554%0.535SS..Hα-helixtrans-63-47.2177.100000111.6E241 K242 Q248 E249E241-A245 WeakPolarHBondContact O-CB 3.29Å; E241-A245 PolarHBondContact O-N 3.41Å; K242-A245 PolarHBondContact O-N 3Å; A245-Q248 CarbonylContact O-C 3.59Å; A245-Q248 WeakPolarHBondContact O-CB 3.49Å; A245-Q248 PolarHBondContact O-N 3.27Å; A245-Q248 VanDerWaalsContact O-N 3.12Å; A245-E249 WeakPolarHBondContact O-CB 3.35Å; A245-E249 PolarHBondContact O-N 3.1Å
246D97.2Very high96.2Very high100 Ų100118.6 Ų118.654%0.53554%0.541SS..Hα-helixtrans-62.9-43.4176.8-178.652.3000112K242 Q248 E249 R250K242-D246 WeakPolarHBondContact O-CB 3.48Å; K242-D246 PolarHBondContact O-N 2.88Å; D246-Q248 VanDerWaalsContact C-N 3.29Å; D246-Q248 PolarHBondContact O-N 3.28Å; D246-E249 PolarHBondContact O-N 3.44Å; D246-R250 WeakPolarHBondContact O-CB 3.28Å; D246-R250 PolarHBondContact O-N 3.44Å
247K97.6Very high95.9Very high129 Ų129120.5 Ų120.556%0.56155%0.547SS*.Hα-helixtrans-58.8-40.1171.7-79.1-178.3178.7-179.30112.3L243 K244 K251L243-K247 HydrophobicContact CD2-CD 3.79Å; L243-K247 VanDerWaalsContact CD2-CE 3.47Å; L243-K247 HydrophobicContact CD2-CG 4.41Å; L243-K247 WeakPolarHBondContact O-CB 3.46Å; L243-K247 VanDerWaalsContact O-CG 3.28Å; L243-K247 WeakPolarHBondContact O-CG 3.42Å; L243-K247 PolarHBondContact O-N 3.41Å; K244-K247 PolarHBondContact O-N 3.37Å; K247-K251 WeakPolarHBondContact O-CG 3.5Å; K247-K251 PolarHBondContact O-N 3.12Å; K247-K251 VanDerWaalsContact O-N 3.14Å
248Q95.5Very high95.5Very high106 Ų106120.8 Ų120.850%0.49555%0.548SS..Hα-helixtrans-71.2-39.2178-172.31751.500111.6K244 A245 D246 K251 R252K244-Q248 WeakPolarHBondContact O-CB 3.47Å; K244-Q248 PolarHBondContact O-N 3.26Å; A245-Q248 CarbonylContact O-C 3.59Å; A245-Q248 WeakPolarHBondContact O-CB 3.49Å; A245-Q248 PolarHBondContact O-N 3.27Å; A245-Q248 VanDerWaalsContact O-N 3.12Å; D246-Q248 VanDerWaalsContact C-N 3.29Å; D246-Q248 PolarHBondContact O-N 3.28Å; Q248-K251 WeakPolarHBondContact O-CB 3.42Å; Q248-K251 PolarHBondContact O-N 3.14Å; Q248-R252 WeakPolarHBondContact O-CG 3.45Å; Q248-R252 PolarHBondContact O-N 2.78Å
249E95.5Very high95.2Very high89 Ų89119.7 Ų119.742%0.41655%0.549SS..Hα-helixtrans-64.1-45.2175.3-170.1179.716400111.3A245 D246 K251 R252 R253A245-E249 WeakPolarHBondContact O-CB 3.35Å; A245-E249 PolarHBondContact O-N 3.1Å; D246-E249 PolarHBondContact O-N 3.44Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 3.47Å; E249-R252 WeakPolarHBondContact O-CA 3.17Å; E249-R252 WeakPolarHBondContact O-CB 3.24Å; E249-R252 PolarHBondContact O-N 2.69Å; E249-R253 WeakPolarHBondContact O-CG 3.39Å; E249-R253 PolarHBondContact O-N 2.91Å; E249-R253 IonicContact OE1-CZ 3.4Å; E249-R253 IonicContact OE1-NE 3.32Å; E249-R253 PolarHBondContact OE1-NE 3.35Å; E249-R253 IonicContact OE1-NH2 2.69Å; E249-R253 PolarHBondContact OE1-NH2 2.92Å
250R96.6Very high94.8Very high173 Ų173118.7 Ų118.765%0.65355%0.548SS*.Hα-helixtrans-57.7-41.9173.7-174.6176.6176.6-175.2-1.2111.9D246 R253 L254D246-R250 WeakPolarHBondContact O-CB 3.28Å; D246-R250 PolarHBondContact O-N 3.44Å; R250-R253 PolarHBondContact O-N 3Å; R250-L254 HydrophobicContact CG-CD1 4.25Å; R250-L254 WeakPolarHBondContact O-CG 3.49Å; R250-L254 PolarHBondContact O-N 3.5Å
251K94.8Very high94.3Very high149 Ų149117.7 Ų117.765%0.64855%0.548SS*.Hα-helixtrans-61.2-42.1173.3-74.9179.9179.5-170.60111.9K247 Q248 E249 L254 V255K247-K251 WeakPolarHBondContact O-CG 3.5Å; K247-K251 PolarHBondContact O-N 3.12Å; K247-K251 VanDerWaalsContact O-N 3.14Å; Q248-K251 WeakPolarHBondContact O-CB 3.42Å; Q248-K251 PolarHBondContact O-N 3.14Å; E249-K251 VanDerWaalsContact C-N 3.3Å; E249-K251 PolarHBondContact O-N 3.47Å; K251-L254 PolarHBondContact O-N 3.49Å; K251-V255 WeakPolarHBondContact O-CB 3.43Å; K251-V255 VanDerWaalsContact O-CG2 3.27Å; K251-V255 WeakPolarHBondContact O-CG2 3.13Å; K251-V255 PolarHBondContact O-N 3.04Å
252R95Very high93.7Very high166 Ų166118.8 Ų118.863%0.62655%0.551SS**Hα-helixtrans-62.7-42.4175.6-68.1174.7-172.7-156.43.7111.8Q248 E249 V255 H256Q248-R252 WeakPolarHBondContact O-CG 3.45Å; Q248-R252 PolarHBondContact O-N 2.78Å; E249-R252 WeakPolarHBondContact O-CA 3.17Å; E249-R252 WeakPolarHBondContact O-CB 3.24Å; E249-R252 PolarHBondContact O-N 2.69Å; R252-V255 PolarHBondContact O-N 3.39Å; R252-H256 WeakPolarHBondContact O-CB 3.36Å; R252-H256 PolarHBondContact O-N 3.43Å
253R94.8Very high93Very high157 Ų157117.7 Ų117.759%0.59255%0.548SS*.Hα-helixtrans-62.3-47.2176.3-67.6178.7-173.9-164.53.4111.7E249 R250 H256 E257E249-R253 WeakPolarHBondContact O-CG 3.39Å; E249-R253 PolarHBondContact O-N 2.91Å; E249-R253 IonicContact OE1-CZ 3.4Å; E249-R253 IonicContact OE1-NE 3.32Å; E249-R253 PolarHBondContact OE1-NE 3.35Å; E249-R253 IonicContact OE1-NH2 2.69Å; E249-R253 PolarHBondContact OE1-NH2 2.92Å; R250-R253 PolarHBondContact O-N 3Å; R253-H256 PolarHBondContact O-N 3.44Å; R253-E257 WeakPolarHBondContact O-CB 3Å; R253-E257 PolarHBondContact O-N 3.34Å
254L95.1Very high92.4Very high87 Ų87115.7 Ų115.746%0.45554%0.544SS..Hα-helixtrans-63.6-41.7177.7-71.7171.3000112.5R250 K251 H256 E257 Q258R250-L254 HydrophobicContact CG-CD1 4.25Å; R250-L254 WeakPolarHBondContact O-CG 3.49Å; R250-L254 PolarHBondContact O-N 3.5Å; K251-L254 PolarHBondContact O-N 3.49Å; L254-H256 VanDerWaalsContact C-N 3.34Å; L254-E257 PolarHBondContact O-N 2.99Å; L254-Q258 VanDerWaalsContact O-CB 3.3Å; L254-Q258 WeakPolarHBondContact O-CB 3.5Å; L254-Q258 PolarHBondContact O-N 3.42Å
255V93.3Very high91.5Very high88 Ų88111.1 Ų111.153%0.53353%0.529SS..Hα-helixtrans-62.7-44.1174.8170.30000110.2K251 R252 Q258 T259K251-V255 WeakPolarHBondContact O-CB 3.43Å; K251-V255 VanDerWaalsContact O-CG2 3.27Å; K251-V255 WeakPolarHBondContact O-CG2 3.13Å; K251-V255 PolarHBondContact O-N 3.04Å; R252-V255 PolarHBondContact O-N 3.39Å; V255-Q258 PolarHBondContact O-N 2.95Å; V255-T259 WeakPolarHBondContact O-CG2 3.5Å; V255-T259 PolarHBondContact O-N 2.93Å; V255-T259 PolarHBondContact O-OG1 3.48Å
256H91.3Very high90.3Very high122 Ų122116.7 Ų116.757%0.56554%0.542SS*.Hα-helixtrans-61.6-47176.8-173.958.4000111.9R252 R253 L254 Q258 T259 M260R252-H256 WeakPolarHBondContact O-CB 3.36Å; R252-H256 PolarHBondContact O-N 3.43Å; R253-H256 PolarHBondContact O-N 3.44Å; L254-H256 VanDerWaalsContact C-N 3.34Å; H256-Q258 PolarHBondContact O-N 2.97Å; H256-T259 WeakPolarHBondContact CA-OG1 3.38Å; H256-T259 PolarHBondContact O-N 3.48Å; H256-T259 PolarHBondContact O-OG1 2.95Å; H256-M260 VanDerWaalsContact O-CG 3.28Å; H256-M260 WeakPolarHBondContact O-CG 3.43Å; H256-M260 PolarHBondContact O-N 3.26Å
257E91.7Very high89.4Confident130 Ų130119.4 Ų119.461%0.60755%0.552SS**Hα-helixtrans-60.1-43.5176.5-173.9178.3-178.800112R253 L254 T259 M260 F261R253-E257 WeakPolarHBondContact O-CB 3Å; R253-E257 PolarHBondContact O-N 3.34Å; L254-E257 PolarHBondContact O-N 2.99Å; E257-T259 VanDerWaalsContact C-N 3.35Å; E257-T259 PolarHBondContact O-N 3.26Å; E257-M260 PolarHBondContact O-N 2.84Å; E257-F261 WeakPolarHBondContact O-CB 3.5Å; E257-F261 PolarHBondContact O-N 3.5Å
258Q88.1Confident87.9Confident119 Ų119116.6 Ų116.656%0.55655%0.553SS**Hα-helixtrans-67.6-34.5177.2-158.4179.332.900112.2L254 V255 H256 K262L254-Q258 VanDerWaalsContact O-CB 3.3Å; L254-Q258 WeakPolarHBondContact O-CB 3.5Å; L254-Q258 PolarHBondContact O-N 3.42Å; V255-Q258 PolarHBondContact O-N 2.95Å; H256-Q258 PolarHBondContact O-N 2.97Å; Q258-K262 WeakPolarHBondContact O-CB 3.32Å; Q258-K262 VanDerWaalsContact O-CG 3.32Å; Q258-K262 WeakPolarHBondContact O-CG 3.44Å; Q258-K262 PolarHBondContact O-N 3.13Å
259T90.8Very high85.9Confident74 Ų74114 Ų11445%0.45455%0.554SS.*Hα-helixtrans-67.1-42.1171.952.70000111.9V255 H256 E257 K262 E263V255-T259 WeakPolarHBondContact O-CG2 3.5Å; V255-T259 PolarHBondContact O-N 2.93Å; V255-T259 PolarHBondContact O-OG1 3.48Å; H256-T259 WeakPolarHBondContact CA-OG1 3.38Å; H256-T259 PolarHBondContact O-N 3.48Å; H256-T259 PolarHBondContact O-OG1 2.95Å; E257-T259 VanDerWaalsContact C-N 3.35Å; E257-T259 PolarHBondContact O-N 3.26Å; T259-K262 PolarHBondContact O-N 3.25Å; T259-E263 PolarHBondContact O-N 3.32Å
260M90.7Very high83.9Confident116 Ų116117.1 Ų117.157%0.57157%0.569SS**Hα-helixtrans-64.4-42.8176.7-68.2-61.6-66.500111.5H256 E257 E263 A264H256-M260 VanDerWaalsContact O-CG 3.28Å; H256-M260 WeakPolarHBondContact O-CG 3.43Å; H256-M260 PolarHBondContact O-N 3.26Å; E257-M260 PolarHBondContact O-N 2.84Å; M260-E263 PolarHBondContact O-N 3.49Å; M260-A264 WeakPolarHBondContact O-CB 3.24Å; M260-A264 PolarHBondContact O-N 3.23Å
261F86.9Confident81.5Confident141 Ų141114.3 Ų114.362%0.61858%0.576SS**Hα-helixtrans-64.9-41.5176.6-174.9-99.4000112.2E257 E263 A264 V265E257-F261 WeakPolarHBondContact O-CB 3.5Å; E257-F261 PolarHBondContact O-N 3.5Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-E263 PolarHBondContact O-N 3.27Å; F261-A264 PolarHBondContact O-N 3.49Å; F261-V265 HydrophobicContact CD1-CG2 3.93Å; F261-V265 HydrophobicContact CE1-CG2 3.52Å; F261-V265 HydrophobicContact CE2-CG2 4.15Å; F261-V265 HydrophobicContact CG-CG2 4.41Å; F261-V265 HydrophobicContact CZ-CG2 3.64Å; F261-V265 WeakPolarHBondContact O-CB 3.42Å; F261-V265 VanDerWaalsContact O-CG2 3.3Å; F261-V265 WeakPolarHBondContact O-CG2 3.27Å; F261-V265 PolarHBondContact O-N 3.02Å
262K82.6Confident79.6Confident129 Ų129111.9 Ų111.956%0.56157%0.574SS**Hα-helixtrans-62.6-37.3175.6-80.4178179.6178.70112.6Q258 T259 K266Q258-K262 WeakPolarHBondContact O-CB 3.32Å; Q258-K262 VanDerWaalsContact O-CG 3.32Å; Q258-K262 WeakPolarHBondContact O-CG 3.44Å; Q258-K262 PolarHBondContact O-N 3.13Å; T259-K262 PolarHBondContact O-N 3.25Å; K262-K266 WeakPolarHBondContact O-CB 3.28Å; K262-K266 PolarHBondContact O-N 3.19Å
263E84.3Confident77.3Confident105 Ų105108.5 Ų108.549%0.49157%0.567SS.*Hα-helixtrans-67.8-45.6175.6-161.362.7-16200110.8T259 M260 F261 V265 K266 E267T259-E263 PolarHBondContact O-N 3.32Å; M260-E263 PolarHBondContact O-N 3.49Å; F261-E263 VanDerWaalsContact C-N 3.31Å; F261-E263 PolarHBondContact O-N 3.27Å; E263-V265 PolarHBondContact O-N 3.38Å; E263-K266 WeakPolarHBondContact O-CB 3.38Å; E263-K266 PolarHBondContact O-N 3.23Å; E263-K266 VanDerWaalsContact O-N 3.15Å; E263-E267 PolarHBondContact O-N 3.15Å
264A84.2Confident75.2Confident49 Ų49108 Ų10841%0.40558%0.577SS.*Hα-helixtrans-62.5-39.2176.600000113.1M260 F261 E267 A268M260-A264 WeakPolarHBondContact O-CB 3.24Å; M260-A264 PolarHBondContact O-N 3.23Å; F261-A264 PolarHBondContact O-N 3.49Å; A264-E267 PolarHBondContact O-N 3.33Å; A264-A268 WeakPolarHBondContact O-CB 3.38Å; A264-A268 PolarHBondContact O-N 3.36Å
265V77.5Confident73.2Confident50 Ų50108.5 Ų108.530%0.30359%0.587SS.*Hα-helixtrans-69.6-33.5175.2171.90000111.7F261 E263 E267 A268F261-V265 HydrophobicContact CD1-CG2 3.93Å; F261-V265 HydrophobicContact CE1-CG2 3.52Å; F261-V265 HydrophobicContact CE2-CG2 4.15Å; F261-V265 HydrophobicContact CG-CG2 4.41Å; F261-V265 HydrophobicContact CZ-CG2 3.64Å; F261-V265 WeakPolarHBondContact O-CB 3.42Å; F261-V265 VanDerWaalsContact O-CG2 3.3Å; F261-V265 WeakPolarHBondContact O-CG2 3.27Å; F261-V265 PolarHBondContact O-N 3.02Å; E263-V265 PolarHBondContact O-N 3.38Å; V265-E267 VanDerWaalsContact C-N 3.31Å; V265-A268 CarbonylContact O-C 3.54Å; V265-A268 PolarHBondContact O-N 3.49Å; V265-A268 VanDerWaalsContact O-O 3.06Å
266K73.5Confident71.4Confident171 Ų171108.7 Ų108.774%0.74359%0.589SS**Hα-helixtrans-64.3-37.5171.4-98-177.4173.9-177.90112K262 E263K262-K266 WeakPolarHBondContact O-CB 3.28Å; K262-K266 PolarHBondContact O-N 3.19Å; E263-K266 WeakPolarHBondContact O-CB 3.38Å; E263-K266 PolarHBondContact O-N 3.23Å; E263-K266 VanDerWaalsContact O-N 3.15Å
267E77.4Confident69.4Low158 Ų158109 Ų10974%0.73859%0.594SS**Hα-helixtrans-71.5-37.8175.9-71.3-177.8165.400112.2E263 A264 V265 G269E263-E267 PolarHBondContact O-N 3.15Å; A264-E267 PolarHBondContact O-N 3.33Å; V265-E267 VanDerWaalsContact C-N 3.31Å; E267-G269 PolarHBondContact O-N 3.2Å
268A65.5Low67.2Low70 Ų70112.1 Ų112.158%0.57961%0.605SS**SBendtrans-91.383.2179.100000111.4A264 V265A264-A268 WeakPolarHBondContact O-CB 3.38Å; A264-A268 PolarHBondContact O-N 3.36Å; V265-A268 CarbonylContact O-C 3.54Å; V265-A268 PolarHBondContact O-N 3.49Å; V265-A268 VanDerWaalsContact O-O 3.06Å
269G54.6Low65.1Low51 Ų51113.6 Ų113.653%0.52662%0.617SS.*  trans-41.2146.3-174.800000117.7E267 S271E267-G269 PolarHBondContact O-N 3.2Å; G269-S271 PolarHBondContact O-N 3.28Å
270Q52.4Low62.9Low155 Ų155115.2 Ų115.272%0.72462%0.622SS**THydrogen-bonded Turntrans-58.110.4-166.2-150.580.624.900118.3
271S47.9Very low60.6Low114 Ų114115 Ų11580%0.79763%0.629SS**THydrogen-bonded Turntrans-84.5-19.2-174.776.60000114.5G269G269-S271 PolarHBondContact O-N 3.28Å
272T53.3Low58.2Low98 Ų98115.6 Ų115.660%0.60164%0.638SS**SBendtrans-91.1-9.5-171.6-30.70000114.2N274T272-N274 PolarHBondContact O-N 3.37Å
273L48.2Very low56.1Low94 Ų94116.5 Ų116.549%0.49265%0.648SS.*Hα-helixtrans-80-12.3-168.1-87.5-177.4000116.5
274N49.9Very low53.8Low148 Ų148119 Ų11979%0.79166%0.66SS**Hα-helixtrans-83.5-16-178.3-71.9-9.5000114.2T272T272-N274 PolarHBondContact O-N 3.37Å
275S52.7Low51.6Low97 Ų97124.4 Ų124.468%0.67868%0.68SS**Hα-helixtrans-88.2-24.5178.777.40000113.6
276V55.3Low49.6Very low92 Ų92129.7 Ų129.756%0.55870%0.702SS**Hα-helixtrans-85.7-15.3-178.7-177.20000112.1K278V276-K278 PolarHBondContact O-N 3.09Å
277L49Very low47.7Very low129 Ų129126.4 Ų126.468%0.67570%0.7SS**THydrogen-bonded Turntrans-76.4-0.3-175-156.665.5000114.8
278K47Very low45.6Very low194 Ų194124.5 Ų124.584%0.84370%0.704SS**THydrogen-bonded Turntrans-90.9-11.4178.3-116.5174.3-177.9177.30115V276V276-K278 PolarHBondContact O-N 3.09Å
279D44.1Very low44Very low150 Ų150128.6 Ų128.680%0.80272%0.716SS**SBendtrans-115.646.5179.9-69.8-18.6000111.7
280I44.5Very low43Very low109 Ų109133.6 Ų133.656%0.55973%0.731SS**  trans-129.1102.4167-56179.5000108.2
281P41.5Very low42.1Very low110 Ų110131.6 Ų131.671%0.71473%0.734SS**  trans-67133165.224.9-26.5000109.1I283P281-I283 PolarHBondContact O-N 3.24Å; P281-I283 VanDerWaalsContact O-N 3.1Å
282D36.6Very low41.2Very low154 Ų154136.3 Ų136.382%0.82474%0.74SS**  trans-50.9114.2176.3-70.8-50.3000110.2E284D282-E284 VanDerWaalsContact C-N 3.28Å; D282-E284 PolarHBondContact O-N 3Å
283I39.3Very low40.3Very low149 Ų149137.1 Ų137.176%0.76475%0.75SS**  trans-76.790.5168.3-62.4169.2000105.6P281 I285P281-I283 PolarHBondContact O-N 3.24Å; P281-I283 VanDerWaalsContact O-N 3.1Å; I283-I285 HydrophobicContact CG2-CG1 4.43Å; I283-I285 PolarHBondContact O-N 3.3Å
284E35.7Very low39.7Very low157 Ų157141.6 Ų141.673%0.73477%0.768SS**  trans-61106.6159.9-75.4179.2164.600107.4D282 E286D282-E284 VanDerWaalsContact C-N 3.28Å; D282-E284 PolarHBondContact O-N 3Å; E284-E286 HydrophobicContact CB-CG 4.47Å; E284-E286 PolarHBondContact O-N 3.2Å
285I36.7Very low38.9Very low162 Ų162139.6 Ų139.683%0.83177%0.773SS**  trans-69.977.7165.6-58.2169.8000105.7I283I283-I285 HydrophobicContact CG2-CG1 4.43Å; I283-I285 PolarHBondContact O-N 3.3Å
286E35.6Very low38.2Very low162 Ų162144.5 Ų144.576%0.75778%0.781SS**  trans-89111.2165.4-77.2-160.4152.500109.2E284E284-E286 HydrophobicContact CB-CG 4.47Å; E284-E286 PolarHBondContact O-N 3.2Å
287S33.9Very low37.4Very low102 Ų102147.9 Ų147.971%0.71380%0.797SS**  trans-41.2131.9159.845.10000111.6D289S287-D289 PolarHBondContact O-N 3.36Å
288S33.6Very low37.7Very low118 Ų118145.9 Ų145.983%0.82579%0.791SS**  trans-44.1107.716339.60000112.1
289D31.9Very low37.9Very low155 Ų155142.9 Ų142.983%0.82979%0.789SS**  trans-140150.4152.9-104.9-18.1000109.3S287S287-D289 PolarHBondContact O-N 3.36Å
290D33.5Very low38.4Very low156 Ų156141.1 Ų141.183%0.83479%0.789SS**  trans-60.6146-146.9-90.6-47.2000118.6K292D290-K292 PolarHBondContact O-N 3.02Å
291S33.8Very low39.8Very low113 Ų113145.4 Ų145.479%0.7980%0.798SS**  trans-60.6118.7170.6-44.60000112.1
292K28.3Very low41.7Very low213 Ų213148.5 Ų148.593%0.92680%0.803SS**  trans-108.185.7159.8-141.8173.8-168.8174.70107.5D290D290-K292 PolarHBondContact O-N 3.02Å
293S36.2Very low44.1Very low115 Ų115143 Ų14380%0.80477%0.77SS**PPolyproline II helixtrans-80.9146.8179.455.10000112
294E35.2Very low46.4Very low188 Ų188138.4 Ų138.488%0.87975%0.751SS**PPolyproline II helixtrans-70.4146.7-161.2-67.2162.9148.900115.2K296E294-K296 PolarHBondContact O-N 3.1Å
295A32Very low48.7Very low107 Ų107138.3 Ų138.388%0.88475%0.751SS**PPolyproline II helixtrans-68.4120.1177.200000112.1
296K38Very low51Low199 Ų199133.3 Ų133.387%0.86573%0.734SS**  trans-119134.8155.3-69.7-171.7176.8-1800107.8E294E294-K296 PolarHBondContact O-N 3.1Å
297D39Very low53.6Low164 Ų164126.9 Ų126.988%0.87771%0.705SS**  trans-39.8132.2-168.1-94.8-49.6000115.8
298P55.4Low56.2Low87 Ų87127 Ų12757%0.56569%0.689SS**  trans-103.928.6-157.932.7-20.3000116.1
299V50.3Low58.7Low130 Ų130125.3 Ų125.379%0.78867%0.671SS**SBendtrans-100.3-15.5-170.9-176.80000116.1
300S55.5Low61.5Low114 Ų114121 Ų12180%0.79765%0.648SS**  trans-147.532.5-174.4-510000116.9E302S300-E302 PolarHBondContact O-N 2.95Å
301R74.5Confident64.1Low199 Ų199113.6 Ų113.675%0.75161%0.609SS**  trans-74124.4172.3-165.5176.6-169.7173.92109.7R335R301-R335 PolarHBondContact O-NH1 3.29Å; R301-R335 PolarHBondContact O-NH2 2.68Å
302E81.8Confident66.7Low175 Ų175108.8 Ų108.882%0.81857%0.574SS**  trans-63.7153.1173.3-81.2159.5155.500112S300 S304 R335S300-E302 PolarHBondContact O-N 2.95Å; E302-S304 PolarHBondContact O-N 2.83Å; E302-R335 PolarHBondContact O-NH2 3.1Å
303W85.8Confident69.5Low37 Ų37106.1 Ų106.114%0.1456%0.558CS.*  trans-80.2105.7-174.6-7982.8000111.4D307 L311 L333 D339 V340 K343W303-D307 HydrophobicContact CE3-CB 3.74Å; W303-D307 HydrophobicContact CZ3-CB 4.17Å; W303-L311 HydrophobicContact CH2-CD2 4.05Å; W303-L311 HydrophobicContact CZ3-CB 4.15Å; W303-L311 HydrophobicContact CZ3-CD2 3.93Å; W303-L333 HydrophobicContact CH2-CD1 4.24Å; W303-L333 HydrophobicContact CZ3-CD1 4.47Å; W303-D339 PolarHBondContact NE1-OD1 3.27Å; W303-D339 PolarHBondContact NE1-OD2 3.25Å; W303-V340 HydrophobicContact CH2-CG2 4.24Å; W303-V340 HydrophobicContact CZ2-CG2 4.49Å; W303-K343 HydrophobicContact CB-CD 4.5Å; W303-K343 HydrophobicContact CD2-CB 4.17Å; W303-K343 HydrophobicContact CD2-CD 3.87Å; W303-K343 HydrophobicContact CD2-CG 3.6Å; W303-K343 HydrophobicContact CE3-CD 4.43Å; W303-K343 HydrophobicContact CE3-CG 3.83Å; W303-K343 HydrophobicContact CG-CD 3.88Å; W303-K343 HydrophobicContact CG-CG 4.17Å; W303-K343 HydrophobicContact CH2-CB 3.91Å; W303-K343 HydrophobicContact CH2-CG 3.97Å; W303-K343 HydrophobicContact CZ2-CB 3.43Å; W303-K343 VanDerWaalsContact CZ2-CB 3.43Å; W303-K343 HydrophobicContact CZ2-CG 3.76Å; W303-K343 HydrophobicContact CZ3-CB 4.47Å; W303-K343 HydrophobicContact CZ3-CG 4.01Å
304S87.2Confident72Confident53 Ų53100.9 Ų100.937%0.37152%0.522SS..  trans-70.1165.2174.171.90000112.2E302 A306 D307 R308E302-S304 PolarHBondContact O-N 2.83Å; S304-A306 VanDerWaalsContact C-N 3.33Å; S304-D307 PolarHBondContact N-OD2 3.28Å; S304-D307 PolarHBondContact O-N 3.14Å; S304-D307 PolarHBondContact OG-N 2.98Å; S304-D307 VanDerWaalsContact OG-N 3.15Å; S304-D307 PolarHBondContact OG-OD1 2.88Å; S304-D307 PolarHBondContact OG-OD2 3.19Å; S304-R308 WeakPolarHBondContact O-CG 3.43Å; S304-R308 PolarHBondContact O-N 3.19Å
305E84.6Confident74.5Confident156 Ų15693.1 Ų93.173%0.72949%0.488SS*.Hα-helixtrans-62.3-40.7175-170.4167.6-157.900111.7D307 R308 D309E305-D307 VanDerWaalsContact C-N 3.34Å; E305-D307 PolarHBondContact O-N 3.37Å; E305-R308 WeakPolarHBondContact O-CB 3.35Å; E305-R308 PolarHBondContact O-N 2.77Å; E305-R308 VanDerWaalsContact O-N 3.12Å; E305-D309 PolarHBondContact O-N 3.09Å; E305-D309 VanDerWaalsContact O-N 3.08Å
306A85.9Confident77.1Confident57 Ų5790.9 Ų90.947%0.47146%0.46SS..Hα-helixtrans-61.6-38.6173.700000112.8S304 R308 D309 N310S304-A306 VanDerWaalsContact C-N 3.33Å; A306-R308 VanDerWaalsContact C-N 3.28Å; A306-R308 PolarHBondContact O-N 3.19Å; A306-D309 PolarHBondContact O-N 3.26Å; A306-N310 WeakPolarHBondContact O-CB 3.45Å; A306-N310 PolarHBondContact O-N 2.99Å; A306-N310 PolarHBondContact O-ND2 3.38Å
307D89.1Confident79.4Confident26 Ų2687.6 Ų87.614%0.13944%0.442CS..Hα-helixtrans-64.5-34.1176.1-65.3-26.1000111.7W303 S304 E305 L311 R335W303-D307 HydrophobicContact CE3-CB 3.74Å; W303-D307 HydrophobicContact CZ3-CB 4.17Å; S304-D307 PolarHBondContact N-OD2 3.28Å; S304-D307 PolarHBondContact O-N 3.14Å; S304-D307 PolarHBondContact OG-N 2.98Å; S304-D307 VanDerWaalsContact OG-N 3.15Å; S304-D307 PolarHBondContact OG-OD1 2.88Å; S304-D307 PolarHBondContact OG-OD2 3.19Å; E305-D307 VanDerWaalsContact C-N 3.34Å; E305-D307 PolarHBondContact O-N 3.37Å; D307-L311 WeakPolarHBondContact O-CB 3.39Å; D307-L311 PolarHBondContact O-N 3.19Å; D307-R335 IonicContact OD2-CZ 2.69Å; D307-R335 IonicContact OD2-NE 2.86Å; D307-R335 IonicContact OD2-NH2 3.74Å; D307-R335 PolarHBondContact OD2-NH2 3.48Å
308R88.6Confident81.7Confident104 Ų10481 Ų8139%0.39241%0.406SS..Hα-helixtrans-67.9-45.4176-66.5174.5-164.3-165.64.8111S304 E305 A306 N310 L311 V312 M347S304-R308 WeakPolarHBondContact O-CG 3.43Å; S304-R308 PolarHBondContact O-N 3.19Å; E305-R308 WeakPolarHBondContact O-CB 3.35Å; E305-R308 PolarHBondContact O-N 2.77Å; E305-R308 VanDerWaalsContact O-N 3.12Å; A306-R308 VanDerWaalsContact C-N 3.28Å; A306-R308 PolarHBondContact O-N 3.19Å; R308-N310 VanDerWaalsContact C-N 3.34Å; R308-N310 PolarHBondContact O-N 3.44Å; R308-L311 WeakPolarHBondContact O-CB 3.28Å; R308-L311 PolarHBondContact O-N 3.4Å; R308-V312 WeakPolarHBondContact O-CG2 3.48Å; R308-V312 PolarHBondContact O-N 3.01Å; R308-M347 HydrophobicContact CB-CE 3.84Å; R308-M347 HydrophobicContact CB-SD 4.28Å; R308-M347 HydrophobicContact CG-CE 4.1Å; R308-M347 HydrophobicContact CG-SD 4.01Å
309D87.3Confident83.1Confident83 Ų8379.7 Ų79.744%0.44440%0.397SS..Hα-helixtrans-65.1-39177.5-74.4-11.7000112.2E305 A306 L311 V312 R313E305-D309 PolarHBondContact O-N 3.09Å; E305-D309 VanDerWaalsContact O-N 3.08Å; A306-D309 PolarHBondContact O-N 3.26Å; D309-L311 VanDerWaalsContact C-N 3.35Å; D309-V312 PolarHBondContact O-N 3.45Å; D309-R313 PolarHBondContact O-N 2.97Å
310N89.3Confident84.6Confident66 Ų6677 Ų7735%0.35340%0.396SS..Hα-helixtrans-66.6-37.4175-69.5-16.6000111.3A306 R308 R313 A314 L333A306-N310 WeakPolarHBondContact O-CB 3.45Å; A306-N310 PolarHBondContact O-N 2.99Å; A306-N310 PolarHBondContact O-ND2 3.38Å; R308-N310 VanDerWaalsContact C-N 3.34Å; R308-N310 PolarHBondContact O-N 3.44Å; N310-R313 PolarHBondContact O-N 3.12Å; N310-R313 PolarHBondContact OD1-NH2 3.29Å; N310-R313 VanDerWaalsContact OD1-NH2 3.13Å; N310-A314 VanDerWaalsContact O-CB 3.29Å; N310-A314 WeakPolarHBondContact O-CB 3.44Å; N310-A314 PolarHBondContact O-N 2.75Å; N310-L333 HydrophobicContact CB-CD2 3.51Å
311L88.9Confident85.8Confident0 Ų073.9 Ų73.90%038%0.381CS..Hα-helixtrans-62.8-45.1173.8175.764.1000111.5W303 D307 R308 D309 A314 V315 I329 L333 V340 K343 A344 M347W303-L311 HydrophobicContact CH2-CD2 4.05Å; W303-L311 HydrophobicContact CZ3-CB 4.15Å; W303-L311 HydrophobicContact CZ3-CD2 3.93Å; D307-L311 WeakPolarHBondContact O-CB 3.39Å; D307-L311 PolarHBondContact O-N 3.19Å; R308-L311 WeakPolarHBondContact O-CB 3.28Å; R308-L311 PolarHBondContact O-N 3.4Å; D309-L311 VanDerWaalsContact C-N 3.35Å; L311-A314 PolarHBondContact O-N 2.93Å; L311-V315 HydrophobicContact CD1-CG2 4.17Å; L311-V315 WeakPolarHBondContact O-CB 3.3Å; L311-V315 WeakPolarHBondContact O-CG2 3.27Å; L311-V315 PolarHBondContact O-N 3.39Å; L311-I329 HydrophobicContact CD1-CG2 3.85Å; L311-L333 HydrophobicContact CB-CD1 4.03Å; L311-L333 HydrophobicContact CD1-CD1 3.7Å; L311-L333 HydrophobicContact CG-CD1 4.47Å; L311-V340 HydrophobicContact CD1-CG1 3.82Å; L311-K343 HydrophobicContact CD2-CB 4.31Å; L311-K343 HydrophobicContact CD2-CG 3.96Å; L311-A344 HydrophobicContact CD2-CB 4.44Å; L311-M347 HydrophobicContact CD2-SD 4.16Å
312V87.8Confident86.3Confident11 Ų1165 Ų657%0.06735%0.348CS..Hα-helixtrans-60.2-48.1176.7173.20000110.8R308 D309 A314 V315 I316 M347 L351 I354R308-V312 WeakPolarHBondContact O-CG2 3.48Å; R308-V312 PolarHBondContact O-N 3.01Å; D309-V312 PolarHBondContact O-N 3.45Å; V312-A314 PolarHBondContact O-N 3.27Å; V312-V315 PolarHBondContact O-N 3.39Å; V312-I316 HydrophobicContact CG1-CD1 4.16Å; V312-I316 WeakPolarHBondContact O-CG1 3.48Å; V312-I316 PolarHBondContact O-N 3.47Å; V312-I316 VanDerWaalsContact O-N 3.11Å; V312-M347 HydrophobicContact CG2-CE 4.36Å; V312-L351 HydrophobicContact CB-CD2 4.2Å; V312-L351 HydrophobicContact CG1-CD2 4.35Å; V312-L351 HydrophobicContact CG2-CD2 3.81Å; V312-I354 HydrophobicContact CG1-CB 4.22Å; V312-I354 HydrophobicContact CG1-CD1 3.78Å; V312-I354 HydrophobicContact CG1-CG2 3.72Å; V312-I354 HydrophobicContact CG2-CD1 3.98Å
313R86.9Confident86.5Confident157 Ų15760.5 Ų60.559%0.59234%0.335SS*.Hα-helixtrans-60.2-43.8176.7-78.3-175.4-89.5-176.7-6.6112.2D309 N310 V315 I316 R317D309-R313 PolarHBondContact O-N 2.97Å; N310-R313 PolarHBondContact O-N 3.12Å; N310-R313 PolarHBondContact OD1-NH2 3.29Å; N310-R313 VanDerWaalsContact OD1-NH2 3.13Å; R313-V315 PolarHBondContact O-N 2.95Å; R313-I316 PolarHBondContact O-N 3.37Å; R313-R317 WeakPolarHBondContact O-CB 3.21Å; R313-R317 PolarHBondContact O-N 3.34Å
314A89.5Confident86.6Confident6 Ų660.4 Ų60.45%0.0535%0.346CS..Hα-helixtrans-66-35.4178.100000112.8N310 L311 V312 R317 Y318 I329N310-A314 VanDerWaalsContact O-CB 3.29Å; N310-A314 WeakPolarHBondContact O-CB 3.44Å; N310-A314 PolarHBondContact O-N 2.75Å; L311-A314 PolarHBondContact O-N 2.93Å; V312-A314 PolarHBondContact O-N 3.27Å; A314-R317 PolarHBondContact O-N 2.82Å; A314-Y318 WeakPolarHBondContact O-CD2 3.47Å; A314-Y318 PolarHBondContact O-N 3.11Å; A314-I329 HydrophobicContact CB-CG1 4.27Å; A314-I329 HydrophobicContact CB-CG2 3.93Å
315V88.4Confident86.8Confident24 Ų2459.7 Ų59.715%0.14534%0.335CS..Hα-helixtrans-67.1-37.4175.7165.90000111.9L311 V312 R313 Y318 I329 L351L311-V315 HydrophobicContact CD1-CG2 4.17Å; L311-V315 WeakPolarHBondContact O-CB 3.3Å; L311-V315 WeakPolarHBondContact O-CG2 3.27Å; L311-V315 PolarHBondContact O-N 3.39Å; V312-V315 PolarHBondContact O-N 3.39Å; R313-V315 PolarHBondContact O-N 2.95Å; V315-Y318 CarbonylContact O-C 3.58Å; V315-Y318 VanDerWaalsContact O-O 3.11Å; V315-I329 HydrophobicContact CG2-CD1 4.17Å; V315-L351 HydrophobicContact CB-CD2 3.97Å; V315-L351 HydrophobicContact CG1-CD2 3.92Å; V315-L351 HydrophobicContact CG2-CD1 4.41Å; V315-L351 HydrophobicContact CG2-CD2 4.09Å
316I85Confident87.2Confident60 Ų6055.9 Ų55.931%0.30831%0.314SS..Hα-helixtrans-68.8-42.5174-66.5168.4000110.1V312 R313 Y318 I354V312-I316 HydrophobicContact CG1-CD1 4.16Å; V312-I316 WeakPolarHBondContact O-CG1 3.48Å; V312-I316 PolarHBondContact O-N 3.47Å; V312-I316 VanDerWaalsContact O-N 3.11Å; R313-I316 PolarHBondContact O-N 3.37Å; I316-Y318 VanDerWaalsContact C-N 3.32Å; I316-Y318 PolarHBondContact O-N 2.91Å; I316-I354 HydrophobicContact CD1-CG2 4.3Å
317R85.9Confident87.5Confident131 Ų13158.2 Ų58.249%0.49432%0.315SS..Hα-helixtrans-62.5-35.7178.7-169.3175.7-173.9-141.43.2113.2R313 A314 P319R313-R317 WeakPolarHBondContact O-CB 3.21Å; R313-R317 PolarHBondContact O-N 3.34Å; A314-R317 PolarHBondContact O-N 2.82Å; R317-P319 WeakPolarHBondContact O-CD 3.46Å
318Y87.3Confident87.6Confident26 Ų2661.2 Ų61.210%0.10232%0.324CS..SBendtrans-117.484.9177.2-58.5-71000110.9A314 V315 I316 V322 R325 R328 I329 F367A314-Y318 WeakPolarHBondContact O-CD2 3.47Å; A314-Y318 PolarHBondContact O-N 3.11Å; V315-Y318 CarbonylContact O-C 3.58Å; V315-Y318 VanDerWaalsContact O-O 3.11Å; I316-Y318 VanDerWaalsContact C-N 3.32Å; I316-Y318 PolarHBondContact O-N 2.91Å; Y318-V322 HydrophobicContact CD1-CG1 4.38Å; Y318-R325 WeakPolarHBondContact O-CD 3.1Å; Y318-R325 PolarHBondContact O-NE 2.81Å; Y318-R328 HydrophobicContact CD1-CB 4.42Å; Y318-R328 HydrophobicContact CD2-CB 4.29Å; Y318-R328 HydrophobicContact CE1-CB 4.21Å; Y318-R328 HydrophobicContact CE2-CB 4.06Å; Y318-R328 HydrophobicContact CG-CB 4.46Å; Y318-I329 HydrophobicContact CD2-CG1 3.9Å; Y318-F367 HydrophobicContact CD1-CE2 4.12Å; Y318-F367 HydrophobicContact CD1-CZ 4.18Å; Y318-F367 HydrophobicContact CE1-CE2 4.24Å; Y318-F367 AromaticContact CE1-CZ 3.88Å; Y318-F367 HydrophobicContact CE1-CZ 3.88Å
319P85.6Confident87.8Confident59 Ų5956.2 Ų56.238%0.38331%0.305SS..  trans-66.3167.2178.427.6-34.3000112.3R317 G321R317-P319 WeakPolarHBondContact O-CD 3.46Å; P319-G321 PolarHBondContact O-N 3.42Å
320G81.3Confident88Confident74 Ų7452.5 Ų52.576%0.76329%0.286SS*.THydrogen-bonded Turntrans-58.8130.1176.400000111.6
321G81.2Confident88Confident47 Ų4757 Ų5749%0.48531%0.305SS..THydrogen-bonded Turntrans116.7-15.8-178.500000114.7P319P319-G321 PolarHBondContact O-N 3.42Å
322V84.5Confident88.1Confident12 Ų1259.9 Ų59.97%0.07333%0.325CS..  trans-71.2128.1173.9-178.90000110Y318 R325 F367Y318-V322 HydrophobicContact CD1-CG1 4.38Å; V322-R325 HydrophobicContact CB-CB 4.45Å; V322-R325 WeakPolarHBondContact O-CB 3.32Å; V322-R325 PolarHBondContact O-N 3.31Å; V322-F367 HydrophobicContact CG1-CG 4.5Å; V322-F367 HydrophobicContact CG2-CB 4.2Å; V322-F367 HydrophobicContact CG2-CD2 3.88Å; V322-F367 HydrophobicContact CG2-CG 4.13Å
323P85.9Confident88.2Confident81 Ų8160.6 Ų60.653%0.52633%0.329SS..THydrogen-bonded Turntrans-66.4135.5176.127.6-33.9000110.2R325P323-R325 VanDerWaalsContact C-N 3.28Å; P323-R325 PolarHBondContact O-N 2.96Å
324G87.5Confident88.3Confident36 Ų3656.1 Ų56.137%0.37133%0.331SS..THydrogen-bonded Turntrans6630.6-176.400000113.1W326 E327 R328G324-W326 VanDerWaalsContact C-N 3.28Å; G324-W326 PolarHBondContact O-N 3.08Å; G324-E327 WeakPolarHBondContact CA-OE2 3.49Å; G324-E327 WeakPolarHBondContact O-CB 3.44Å; G324-E327 PolarHBondContact O-N 3.49Å; G324-R328 WeakPolarHBondContact O-CG 3.37Å; G324-R328 PolarHBondContact O-N 2.9Å
325R91.9Very high88.3Confident38 Ų3857.3 Ų57.314%0.14333%0.334CS..Hα-helixtrans-52-46.9-176.5173.3178.2174.1-80.4-3.7112.3Y318 V322 P323 E327 R328 I329Y318-R325 WeakPolarHBondContact O-CD 3.1Å; Y318-R325 PolarHBondContact O-NE 2.81Å; V322-R325 HydrophobicContact CB-CB 4.45Å; V322-R325 WeakPolarHBondContact O-CB 3.32Å; V322-R325 PolarHBondContact O-N 3.31Å; P323-R325 VanDerWaalsContact C-N 3.28Å; P323-R325 PolarHBondContact O-N 2.96Å; R325-E327 VanDerWaalsContact C-N 3.33Å; R325-R328 PolarHBondContact O-N 3.24Å; R325-I329 HydrophobicContact CG-CD1 3.81Å; R325-I329 VanDerWaalsContact O-CG1 3.24Å; R325-I329 WeakPolarHBondContact O-CG1 3.34Å; R325-I329 PolarHBondContact O-N 3.29Å; R325-I329 VanDerWaalsContact O-N 3.08Å
326W92.6Very high88.3Confident75 Ų7559 Ų5928%0.28435%0.347SS..Hα-helixtrans-74.1-30.6-174.9-67.5116.8000112G324 I329 A330 V337 V340 I341 A344G324-W326 VanDerWaalsContact C-N 3.28Å; G324-W326 PolarHBondContact O-N 3.08Å; W326-I329 HydrophobicContact CE3-CD1 4.07Å; W326-I329 HydrophobicContact CZ3-CD1 4.29Å; W326-A330 WeakPolarHBondContact O-CB 3.49Å; W326-A330 PolarHBondContact O-N 3.13Å; W326-V337 HydrophobicContact CB-CG1 3.87Å; W326-V340 HydrophobicContact CE3-CG1 3.95Å; W326-V340 HydrophobicContact CZ3-CG1 4.1Å; W326-I341 HydrophobicContact CB-CD1 4.13Å; W326-I341 HydrophobicContact CB-CG1 4.14Å; W326-I341 HydrophobicContact CD2-CD1 4.28Å; W326-I341 HydrophobicContact CD2-CG1 3.55Å; W326-I341 HydrophobicContact CE3-CG1 3.86Å; W326-I341 HydrophobicContact CG-CD1 3.91Å; W326-I341 HydrophobicContact CG-CG1 3.71Å; W326-I341 HydrophobicContact CZ2-CG1 4.43Å; W326-I341 HydrophobicContact CZ3-CG1 4.42Å; W326-A344 HydrophobicContact CH2-CB 3.51Å; W326-A344 HydrophobicContact CZ3-CB 3.62Å
327E92.6Very high88.6Confident106 Ų10658 Ų5850%0.49534%0.344SS..Hα-helixtrans-63.5-47.3173.3-63.873-171.700110.3G324 R325 A330 E331 V337G324-E327 WeakPolarHBondContact CA-OE2 3.49Å; G324-E327 WeakPolarHBondContact O-CB 3.44Å; G324-E327 PolarHBondContact O-N 3.49Å; R325-E327 VanDerWaalsContact C-N 3.33Å; E327-A330 PolarHBondContact O-N 3.45Å; E327-E331 WeakPolarHBondContact O-CB 3.5Å; E327-E331 PolarHBondContact O-N 3.36Å; E327-V337 HydrophobicContact CG-CG2 4.24Å
328R92.1Very high88.8Confident89 Ų8955.6 Ų55.634%0.33635%0.345SS..Hα-helixtrans-65.2-40.3176.4-66.2-179.4-168.3-128.11.4113Y318 G324 R325 S332Y318-R328 HydrophobicContact CD1-CB 4.42Å; Y318-R328 HydrophobicContact CD2-CB 4.29Å; Y318-R328 HydrophobicContact CE1-CB 4.21Å; Y318-R328 HydrophobicContact CE2-CB 4.06Å; Y318-R328 HydrophobicContact CG-CB 4.46Å; G324-R328 WeakPolarHBondContact O-CG 3.37Å; G324-R328 PolarHBondContact O-N 2.9Å; R325-R328 PolarHBondContact O-N 3.24Å; R328-S332 WeakPolarHBondContact O-CB 3.29Å; R328-S332 PolarHBondContact O-N 3.22Å; R328-S332 PolarHBondContact O-OG 2.84Å
329I92.9Very high88.9Confident0 Ų056.2 Ų56.20%035%0.35CS..Hα-helixtrans-66.2-44.6176.5-66.2167.4000109.9L311 A314 V315 Y318 R325 W326 E331 S332 L333 V340L311-I329 HydrophobicContact CD1-CG2 3.85Å; A314-I329 HydrophobicContact CB-CG1 4.27Å; A314-I329 HydrophobicContact CB-CG2 3.93Å; V315-I329 HydrophobicContact CG2-CD1 4.17Å; Y318-I329 HydrophobicContact CD2-CG1 3.9Å; R325-I329 HydrophobicContact CG-CD1 3.81Å; R325-I329 VanDerWaalsContact O-CG1 3.24Å; R325-I329 WeakPolarHBondContact O-CG1 3.34Å; R325-I329 PolarHBondContact O-N 3.29Å; R325-I329 VanDerWaalsContact O-N 3.08Å; W326-I329 HydrophobicContact CE3-CD1 4.07Å; W326-I329 HydrophobicContact CZ3-CD1 4.29Å; I329-E331 PolarHBondContact O-N 2.99Å; I329-S332 PolarHBondContact O-N 2.96Å; I329-S332 PolarHBondContact O-OG 3.33Å; I329-L333 HydrophobicContact CG2-CD1 3.92Å; I329-L333 WeakPolarHBondContact O-CG 3.32Å; I329-L333 PolarHBondContact O-N 3.37Å; I329-L333 VanDerWaalsContact O-N 3.11Å; I329-V340 HydrophobicContact CB-CG1 4.4Å; I329-V340 HydrophobicContact CG2-CG1 3.63Å
330A91Very high89.2Confident4 Ų453.4 Ų53.43%0.03333%0.332CS..Hα-helixtrans-61-43.5178.100000112.4W326 E327 L333 G334 R335 V337 V340W326-A330 WeakPolarHBondContact O-CB 3.49Å; W326-A330 PolarHBondContact O-N 3.13Å; E327-A330 PolarHBondContact O-N 3.45Å; A330-L333 PolarHBondContact O-N 3.16Å; A330-G334 PolarHBondContact O-N 3.3Å; A330-R335 WeakPolarHBondContact CB-O 3.26Å; A330-R335 PolarHBondContact O-N 3.47Å; A330-V337 HydrophobicContact CB-CB 4.34Å; A330-V337 HydrophobicContact CB-CG2 3.56Å; A330-V340 HydrophobicContact CB-CG2 4.22Å
331E90.1Very high89.7Confident160 Ų16052.1 Ų52.175%0.74831%0.307SS*.Hα-helixtrans-59.4-46.3172.9-175.2175.6-161.500111.6E327 I329 L333 G334E327-E331 WeakPolarHBondContact O-CB 3.5Å; E327-E331 PolarHBondContact O-N 3.36Å; I329-E331 PolarHBondContact O-N 2.99Å; E331-L333 PolarHBondContact O-N 3.07Å; E331-G334 PolarHBondContact O-N 3.44Å; E331-G334 VanDerWaalsContact O-N 3.16Å
332S89.9Confident90.1Very high62 Ų6258.3 Ų58.343%0.43432%0.316SS..Hα-helixtrans-64.4-24.2178.771.80000114.4R328 I329R328-S332 WeakPolarHBondContact O-CB 3.29Å; R328-S332 PolarHBondContact O-N 3.22Å; R328-S332 PolarHBondContact O-OG 2.84Å; I329-S332 PolarHBondContact O-N 2.96Å; I329-S332 PolarHBondContact O-OG 3.33Å
333L90.5Very high90.4Very high26 Ų2659.6 Ų59.614%0.13632%0.32CS..Hα-helixtrans-98.5-8.1178.7-67.2171.5000113W303 N310 L311 I329 A330 E331 R335 V340W303-L333 HydrophobicContact CH2-CD1 4.24Å; W303-L333 HydrophobicContact CZ3-CD1 4.47Å; N310-L333 HydrophobicContact CB-CD2 3.51Å; L311-L333 HydrophobicContact CB-CD1 4.03Å; L311-L333 HydrophobicContact CD1-CD1 3.7Å; L311-L333 HydrophobicContact CG-CD1 4.47Å; I329-L333 HydrophobicContact CG2-CD1 3.92Å; I329-L333 WeakPolarHBondContact O-CG 3.32Å; I329-L333 PolarHBondContact O-N 3.37Å; I329-L333 VanDerWaalsContact O-N 3.11Å; A330-L333 PolarHBondContact O-N 3.16Å; E331-L333 PolarHBondContact O-N 3.07Å; L333-R335 HydrophobicContact CB-CB 4.44Å; L333-R335 PolarHBondContact O-N 3.03Å; L333-V340 HydrophobicContact CD1-CG1 4.44Å; L333-V340 HydrophobicContact CD1-CG2 4.05Å
334G88.4Confident90.6Very high62 Ų6256 Ų5664%0.63930%0.297SS*.THydrogen-bonded Turntrans59.232.1-171.600000113.6A330 E331A330-G334 PolarHBondContact O-N 3.3Å; E331-G334 PolarHBondContact O-N 3.44Å; E331-G334 VanDerWaalsContact O-N 3.16Å
335R88.9Confident90.6Very high32 Ų3261 Ų6112%0.12131%0.309CS..SBendtrans-123.1165.7-178.2-73.9-170.7177.8-114.22.8111.8R301 E302 D307 A330 L333 D339 V340R301-R335 PolarHBondContact O-NH1 3.29Å; R301-R335 PolarHBondContact O-NH2 2.68Å; E302-R335 PolarHBondContact O-NH2 3.1Å; D307-R335 IonicContact OD2-CZ 2.69Å; D307-R335 IonicContact OD2-NE 2.86Å; D307-R335 IonicContact OD2-NH2 3.74Å; D307-R335 PolarHBondContact OD2-NH2 3.48Å; A330-R335 WeakPolarHBondContact CB-O 3.26Å; A330-R335 PolarHBondContact O-N 3.47Å; L333-R335 HydrophobicContact CB-CB 4.44Å; L333-R335 PolarHBondContact O-N 3.03Å; R335-D339 IonicContact NH1-OD2 3.92Å; R335-D339 PolarHBondContact NH1-OD2 2.94Å; R335-D339 VanDerWaalsContact NH1-OD2 3.16Å; R335-V340 HydrophobicContact CB-CG2 4.02Å
336S89.1Confident90.4Very high58 Ų5863.9 Ų63.941%0.40633%0.334SS..  trans-71.8143.5177.474.20000112.4D339 V340S336-D339 PolarHBondContact O-N 2.9Å; S336-D339 WeakPolarHBondContact OG-CB 3.34Å; S336-D339 PolarHBondContact OG-N 3.08Å; S336-V340 WeakPolarHBondContact O-CG2 3.44Å; S336-V340 PolarHBondContact O-N 3.28Å; S336-V340 VanDerWaalsContact O-N 3.13Å
337V90.8Very high89.9Confident40 Ų4060.8 Ų60.824%0.24232%0.323CS..Hα-helixtrans-53-44.9177.5174.60000112.6W326 E327 A330 D339 V340 I341W326-V337 HydrophobicContact CB-CG1 3.87Å; E327-V337 HydrophobicContact CG-CG2 4.24Å; A330-V337 HydrophobicContact CB-CB 4.34Å; A330-V337 HydrophobicContact CB-CG2 3.56Å; V337-D339 PolarHBondContact O-N 2.9Å; V337-V340 PolarHBondContact O-N 3.31Å; V337-I341 HydrophobicContact CG1-CD1 3.66Å; V337-I341 HydrophobicContact CG1-CG1 4.38Å; V337-I341 VanDerWaalsContact O-CG1 3.27Å; V337-I341 WeakPolarHBondContact O-CG1 3.46Å; V337-I341 PolarHBondContact O-N 3.49Å
338P91.5Very high89.4Confident81 Ų8158.8 Ų58.853%0.52632%0.321SS..Hα-helixtrans-64.7-35.8178.6-2335.6000114.3R342P338-R342 WeakPolarHBondContact O-CB 3.31Å; P338-R342 PolarHBondContact O-N 3.45Å
339D89.2Confident88.7Confident39 Ų3963.8 Ų63.821%0.20935%0.345CS..Hα-helixtrans-67.5-45.9178-176.431.3000110.8W303 R335 S336 V337 I341 R342 K343W303-D339 PolarHBondContact NE1-OD1 3.27Å; W303-D339 PolarHBondContact NE1-OD2 3.25Å; R335-D339 IonicContact NH1-OD2 3.92Å; R335-D339 PolarHBondContact NH1-OD2 2.94Å; R335-D339 VanDerWaalsContact NH1-OD2 3.16Å; S336-D339 PolarHBondContact O-N 2.9Å; S336-D339 WeakPolarHBondContact OG-CB 3.34Å; S336-D339 PolarHBondContact OG-N 3.08Å; V337-D339 PolarHBondContact O-N 2.9Å; D339-I341 PolarHBondContact O-N 2.93Å; D339-R342 PolarHBondContact O-N 3.11Å; D339-K343 WeakPolarHBondContact O-CB 3.34Å; D339-K343 PolarHBondContact O-N 3.46Å
340V91.8Very high88Confident0 Ų068.1 Ų68.10%037%0.365CS..Hα-helixtrans-59.3-45.9175.8172.60000111.7W303 L311 W326 I329 A330 L333 R335 S336 V337 R342 K343 A344W303-V340 HydrophobicContact CH2-CG2 4.24Å; W303-V340 HydrophobicContact CZ2-CG2 4.49Å; L311-V340 HydrophobicContact CD1-CG1 3.82Å; W326-V340 HydrophobicContact CE3-CG1 3.95Å; W326-V340 HydrophobicContact CZ3-CG1 4.1Å; I329-V340 HydrophobicContact CB-CG1 4.4Å; I329-V340 HydrophobicContact CG2-CG1 3.63Å; A330-V340 HydrophobicContact CB-CG2 4.22Å; L333-V340 HydrophobicContact CD1-CG1 4.44Å; L333-V340 HydrophobicContact CD1-CG2 4.05Å; R335-V340 HydrophobicContact CB-CG2 4.02Å; S336-V340 WeakPolarHBondContact O-CG2 3.44Å; S336-V340 PolarHBondContact O-N 3.28Å; S336-V340 VanDerWaalsContact O-N 3.13Å; V337-V340 PolarHBondContact O-N 3.31Å; V340-R342 PolarHBondContact O-N 3.31Å; V340-K343 PolarHBondContact O-N 3.4Å; V340-A344 VanDerWaalsContact O-CB 3.23Å; V340-A344 WeakPolarHBondContact O-CB 3.22Å; V340-A344 PolarHBondContact O-N 3.21Å
341I91.6Very high87.3Confident46 Ų4669.1 Ų69.124%0.23637%0.37CS..Hα-helixtrans-62.2-44.5177.7-68.7167.7000110.6W326 V337 D339 A344 K345W326-I341 HydrophobicContact CB-CD1 4.13Å; W326-I341 HydrophobicContact CB-CG1 4.14Å; W326-I341 HydrophobicContact CD2-CD1 4.28Å; W326-I341 HydrophobicContact CD2-CG1 3.55Å; W326-I341 HydrophobicContact CE3-CG1 3.86Å; W326-I341 HydrophobicContact CG-CD1 3.91Å; W326-I341 HydrophobicContact CG-CG1 3.71Å; W326-I341 HydrophobicContact CZ2-CG1 4.43Å; W326-I341 HydrophobicContact CZ3-CG1 4.42Å; V337-I341 HydrophobicContact CG1-CD1 3.66Å; V337-I341 HydrophobicContact CG1-CG1 4.38Å; V337-I341 VanDerWaalsContact O-CG1 3.27Å; V337-I341 WeakPolarHBondContact O-CG1 3.46Å; V337-I341 PolarHBondContact O-N 3.49Å; D339-I341 PolarHBondContact O-N 2.93Å; I341-A344 PolarHBondContact O-N 3.04Å; I341-K345 HydrophobicContact CG2-CD 4.3Å; I341-K345 WeakPolarHBondContact O-CB 3.36Å; I341-K345 WeakPolarHBondContact O-CG 3.23Å; I341-K345 PolarHBondContact O-N 3.46Å
342R89.6Confident86.4Confident178 Ų17867 Ų6767%0.67236%0.361SS*.Hα-helixtrans-62.3-44.9179.6-166.2-173.1-56164.93.6111P338 D339 V340 K345 S346P338-R342 WeakPolarHBondContact O-CB 3.31Å; P338-R342 PolarHBondContact O-N 3.45Å; D339-R342 PolarHBondContact O-N 3.11Å; V340-R342 PolarHBondContact O-N 3.31Å; R342-K345 PolarHBondContact O-N 3.28Å; R342-S346 PolarHBondContact O-N 2.92Å
343K90.1Very high85.6Confident38 Ų3867 Ų6717%0.16536%0.361CS..Hα-helixtrans-68-43.3178.1-170.268.5174.81770112.4W303 L311 D339 V340 K345 S346 M347W303-K343 HydrophobicContact CB-CD 4.5Å; W303-K343 HydrophobicContact CD2-CB 4.17Å; W303-K343 HydrophobicContact CD2-CD 3.87Å; W303-K343 HydrophobicContact CD2-CG 3.6Å; W303-K343 HydrophobicContact CE3-CD 4.43Å; W303-K343 HydrophobicContact CE3-CG 3.83Å; W303-K343 HydrophobicContact CG-CD 3.88Å; W303-K343 HydrophobicContact CG-CG 4.17Å; W303-K343 HydrophobicContact CH2-CB 3.91Å; W303-K343 HydrophobicContact CH2-CG 3.97Å; W303-K343 HydrophobicContact CZ2-CB 3.43Å; W303-K343 VanDerWaalsContact CZ2-CB 3.43Å; W303-K343 HydrophobicContact CZ2-CG 3.76Å; W303-K343 HydrophobicContact CZ3-CB 4.47Å; W303-K343 HydrophobicContact CZ3-CG 4.01Å; L311-K343 HydrophobicContact CD2-CB 4.31Å; L311-K343 HydrophobicContact CD2-CG 3.96Å; D339-K343 WeakPolarHBondContact O-CB 3.34Å; D339-K343 PolarHBondContact O-N 3.46Å; V340-K343 PolarHBondContact O-N 3.4Å; K343-K345 VanDerWaalsContact C-N 3.31Å; K343-K345 PolarHBondContact O-N 3.22Å; K343-S346 CarbonylContact O-C 3.47Å; K343-S346 WeakPolarHBondContact O-CA 3.39Å; K343-S346 WeakPolarHBondContact O-CB 3.37Å; K343-S346 PolarHBondContact O-N 2.7Å; K343-S346 VanDerWaalsContact O-N 3.08Å; K343-M347 HydrophobicContact CD-SD 4.36Å; K343-M347 HydrophobicContact CG-SD 4.03Å; K343-M347 PolarHBondContact O-N 3.48Å
344A90.1Very high84.4Confident5 Ų567.9 Ų67.94%0.04137%0.366CS..Hα-helixtrans-62.9-37.1177.300000112.3L311 W326 V340 I341 M347 S348 L351L311-A344 HydrophobicContact CD2-CB 4.44Å; W326-A344 HydrophobicContact CH2-CB 3.51Å; W326-A344 HydrophobicContact CZ3-CB 3.62Å; V340-A344 VanDerWaalsContact O-CB 3.23Å; V340-A344 WeakPolarHBondContact O-CB 3.22Å; V340-A344 PolarHBondContact O-N 3.21Å; I341-A344 PolarHBondContact O-N 3.04Å; A344-M347 CarbonylContact O-C 3.45Å; A344-M347 PolarHBondContact O-N 3.27Å; A344-S348 PolarHBondContact O-N 3.11Å; A344-L351 HydrophobicContact CB-CD1 4.27Å
345K88.6Confident83.1Confident143 Ų14367.7 Ų67.762%0.62236%0.355SS*.Hα-helixtrans-62.2-45170.3-75.9-179179.2-173.20111.4I341 R342 K343 M347 S348I341-K345 HydrophobicContact CG2-CD 4.3Å; I341-K345 WeakPolarHBondContact O-CB 3.36Å; I341-K345 WeakPolarHBondContact O-CG 3.23Å; I341-K345 PolarHBondContact O-N 3.46Å; R342-K345 PolarHBondContact O-N 3.28Å; K343-K345 VanDerWaalsContact C-N 3.31Å; K343-K345 PolarHBondContact O-N 3.22Å; K345-M347 VanDerWaalsContact C-N 3.27Å; K345-M347 PolarHBondContact O-N 2.88Å; K345-S348 VanDerWaalsContact O-CB 3.31Å; K345-S348 WeakPolarHBondContact O-CB 3.48Å; K345-S348 PolarHBondContact O-N 3.24Å
346S86.2Confident81.5Confident97 Ų9775.7 Ų75.768%0.67839%0.385SS*.Hα-helixtrans-61-34175.6-1780000112.8R342 K343R342-S346 PolarHBondContact O-N 2.92Å; K343-S346 CarbonylContact O-C 3.47Å; K343-S346 WeakPolarHBondContact O-CA 3.39Å; K343-S346 WeakPolarHBondContact O-CB 3.37Å; K343-S346 PolarHBondContact O-N 2.7Å; K343-S346 VanDerWaalsContact O-N 3.08Å
347M83.1Confident79.9Confident11 Ų1181.4 Ų81.45%0.05440%0.403CS..THydrogen-bonded Turntrans-96.112.3-179.8-66.4179.470.100113.5R308 L311 V312 K343 A344 K345 K349 E350 L351R308-M347 HydrophobicContact CB-CE 3.84Å; R308-M347 HydrophobicContact CB-SD 4.28Å; R308-M347 HydrophobicContact CG-CE 4.1Å; R308-M347 HydrophobicContact CG-SD 4.01Å; L311-M347 HydrophobicContact CD2-SD 4.16Å; V312-M347 HydrophobicContact CG2-CE 4.36Å; K343-M347 HydrophobicContact CD-SD 4.36Å; K343-M347 HydrophobicContact CG-SD 4.03Å; K343-M347 PolarHBondContact O-N 3.48Å; A344-M347 CarbonylContact O-C 3.45Å; A344-M347 PolarHBondContact O-N 3.27Å; K345-M347 VanDerWaalsContact C-N 3.27Å; K345-M347 PolarHBondContact O-N 2.88Å; M347-K349 VanDerWaalsContact C-N 3.29Å; M347-K349 PolarHBondContact O-N 3.49Å; M347-E350 WeakPolarHBondContact CE-OE2 3.43Å; M347-E350 WeakPolarHBondContact O-CB 3.36Å; M347-E350 PolarHBondContact O-N 3.02Å; M347-L351 HydrophobicContact CB-CD1 4.46Å; M347-L351 PolarHBondContact O-N 3.36Å
348S81.5Confident77.7Confident63 Ų6385.2 Ų85.244%0.44142%0.422SS..Hα-helixtrans-57.8-38.3-171.5178.60000113.5A344 K345 M352A344-S348 PolarHBondContact O-N 3.11Å; K345-S348 VanDerWaalsContact O-CB 3.31Å; K345-S348 WeakPolarHBondContact O-CB 3.48Å; K345-S348 PolarHBondContact O-N 3.24Å; S348-M352 WeakPolarHBondContact O-CG 3.43Å; S348-M352 PolarHBondContact O-N 3.34Å; S348-M352 VanDerWaalsContact O-N 3.15Å
349K78.3Confident75.4Confident194 Ų19486.9 Ų86.984%0.84343%0.425SS*.Hα-helixtrans-64.9-38.6176.5-70.3-177.3-178.3176.90112.5M347 S353M347-K349 VanDerWaalsContact C-N 3.29Å; M347-K349 PolarHBondContact O-N 3.49Å; K349-S353 PolarHBondContact O-N 3.35Å
350E78Confident73.5Confident92 Ų9290.1 Ų90.143%0.4344%0.442SS..Hα-helixtrans-73.5-42.6-179.5-171.4176.7-175.900111.3M347 M352 S353 I354M347-E350 WeakPolarHBondContact CE-OE2 3.43Å; M347-E350 WeakPolarHBondContact O-CB 3.36Å; M347-E350 PolarHBondContact O-N 3.02Å; E350-M352 VanDerWaalsContact C-N 3.29Å; E350-M352 PolarHBondContact O-N 3.48Å; E350-S353 PolarHBondContact O-N 2.98Å; E350-S353 VanDerWaalsContact O-N 3.12Å; E350-S353 PolarHBondContact O-OG 2.96Å; E350-I354 HydrophobicContact CG-CD1 4.03Å; E350-I354 WeakPolarHBondContact O-CG1 3.32Å; E350-I354 PolarHBondContact O-N 3.25Å
351L76Confident71.6Confident25 Ų2594.4 Ų94.413%0.13147%0.47CS..Hα-helixtrans-58.4-41.3173.7-75.2166.5000112.2V312 V315 A344 M347 S353 I354 S355V312-L351 HydrophobicContact CB-CD2 4.2Å; V312-L351 HydrophobicContact CG1-CD2 4.35Å; V312-L351 HydrophobicContact CG2-CD2 3.81Å; V315-L351 HydrophobicContact CB-CD2 3.97Å; V315-L351 HydrophobicContact CG1-CD2 3.92Å; V315-L351 HydrophobicContact CG2-CD1 4.41Å; V315-L351 HydrophobicContact CG2-CD2 4.09Å; A344-L351 HydrophobicContact CB-CD1 4.27Å; M347-L351 HydrophobicContact CB-CD1 4.46Å; M347-L351 PolarHBondContact O-N 3.36Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 3.07Å; L351-I354 PolarHBondContact O-N 2.92Å; L351-S355 WeakPolarHBondContact O-CB 3.43Å; L351-S355 PolarHBondContact O-N 3.22Å
352M71Confident69.6Low114 Ų11499 Ų9956%0.56250%0.495SS*.Hα-helixtrans-69.9-25.4178.5-70.3-66.9-78.300113.4S348 E350S348-M352 WeakPolarHBondContact O-CG 3.43Å; S348-M352 PolarHBondContact O-N 3.34Å; S348-M352 VanDerWaalsContact O-N 3.15Å; E350-M352 VanDerWaalsContact C-N 3.29Å; E350-M352 PolarHBondContact O-N 3.48Å
353S74.4Confident67.5Low62 Ų6298.4 Ų98.443%0.43450%0.5SS..Hα-helixtrans-80.5-39176.274.70000111.5K349 E350 L351 R356K349-S353 PolarHBondContact O-N 3.35Å; E350-S353 PolarHBondContact O-N 2.98Å; E350-S353 VanDerWaalsContact O-N 3.12Å; E350-S353 PolarHBondContact O-OG 2.96Å; L351-S353 VanDerWaalsContact C-N 3.31Å; L351-S353 PolarHBondContact O-N 3.07Å; S353-R356 PolarHBondContact O-N 3.16Å
354I65.3Low65.8Low45 Ų45100.4 Ų100.423%0.23151%0.512CS..Hα-helixtrans-72.5-40.6-179.3-62.1168.5000111.6V312 I316 E350 L351 R356 K357 N358V312-I354 HydrophobicContact CG1-CB 4.22Å; V312-I354 HydrophobicContact CG1-CD1 3.78Å; V312-I354 HydrophobicContact CG1-CG2 3.72Å; V312-I354 HydrophobicContact CG2-CD1 3.98Å; I316-I354 HydrophobicContact CD1-CG2 4.3Å; E350-I354 HydrophobicContact CG-CD1 4.03Å; E350-I354 WeakPolarHBondContact O-CG1 3.32Å; E350-I354 PolarHBondContact O-N 3.25Å; L351-I354 PolarHBondContact O-N 2.92Å; I354-R356 PolarHBondContact O-N 3.05Å; I354-K357 PolarHBondContact O-N 2.97Å; I354-N358 PolarHBondContact O-N 3.06Å
355S59.6Low63.8Low59 Ų59102.8 Ų102.841%0.41353%0.527SS..THydrogen-bonded Turntrans-57.2-19.3176.4178.70000113.6L351 I359L351-S355 WeakPolarHBondContact O-CB 3.43Å; L351-S355 PolarHBondContact O-N 3.22Å; S355-I359 WeakPolarHBondContact O-CD1 3.38Å
356R56.2Low62Low199 Ų199104.3 Ų104.375%0.75154%0.54SS*.THydrogen-bonded Turntrans-88.5-19.2176-65.9-178.7-171.1-175.72.2114S353 I354S353-R356 PolarHBondContact O-N 3.16Å; I354-R356 PolarHBondContact O-N 3.05Å
357K55.4Low60.5Low178 Ų178102.5 Ų102.577%0.77452%0.52SS*.THydrogen-bonded Turntrans-98.7-35.4-171.4-77.6-174174.7-177.10113.6I354I354-K357 PolarHBondContact O-N 2.97Å
358N44Very low58.5Low120 Ų120111 Ų11164%0.64256%0.559SS**  trans-126.695.4-177.5-80.5-9.6000110.4I354I354-N358 PolarHBondContact O-N 3.06Å
359I44.7Very low56.4Low116 Ų116112.7 Ų112.760%0.59557%0.567SS**  trans-122.498.7162-59.3173.8000105.8S355S355-I359 WeakPolarHBondContact O-CD1 3.38Å
360N48.3Very low54.3Low107 Ų107109.6 Ų109.657%0.57256%0.56SS**  trans-90.5112.9157.7-168.7-8.8000106.5D362N360-D362 PolarHBondContact O-N 3.44Å; N360-D362 VanDerWaalsContact O-N 3.13Å
361P51.8Low52.2Low90 Ų90111.5 Ų111.558%0.58458%0.577SS**G310 helixtrans-63.8-15.3-171.923.2-33.2000114.6E363P361-E363 VanDerWaalsContact C-N 3.34Å; P361-E363 PolarHBondContact O-N 3.37Å
362D49.1Very low50.1Low144 Ų144116.4 Ų116.477%0.7760%0.604SS**G310 helixtrans-78.8-8.1-171.7-66.6-20.3000115.1N360N360-D362 PolarHBondContact O-N 3.44Å; N360-D362 VanDerWaalsContact O-N 3.13Å
363E46.5Very low48.1Very low164 Ų164119 Ų11977%0.76662%0.62SS**G310 helixtrans-1032.5-179.1-76.9-172.6173.800115P361 P365P361-E363 VanDerWaalsContact C-N 3.34Å; P361-E363 PolarHBondContact O-N 3.37Å; E363-P365 VanDerWaalsContact O-CD 3.28Å; E363-P365 WeakPolarHBondContact O-CD 3.47Å
364I54.4Low45.9Very low81 Ų81125.9 Ų125.942%0.41564%0.642SS.*  trans-93.5110-177.2-53173.8000109.8
365P47.8Very low44.1Very low54 Ų54130.2 Ų130.235%0.35168%0.675SS.*  trans-67.6138.8174.4-12.728.5000110.6E363 F367E363-P365 VanDerWaalsContact O-CD 3.28Å; E363-P365 WeakPolarHBondContact O-CD 3.47Å; P365-F367 HydrophobicContact CB-CD2 4.38Å; P365-F367 HydrophobicContact CB-CE1 4.49Å; P365-F367 HydrophobicContact CB-CE2 3.7Å; P365-F367 HydrophobicContact CB-CZ 3.76Å; P365-F367 HydrophobicContact CG-CE2 3.92Å; P365-F367 HydrophobicContact CG-CZ 4.01Å; P365-F367 WeakPolarHBondContact O-CD2 3.5Å; P365-F367 WeakPolarHBondContact O-CE2 3.45Å; P365-F367 PolarHBondContact O-N 2.86Å
366I51Low42.6Very low175 Ų175131 Ų13190%0.89769%0.692SS**  trans-71.5107.6177.8-56.3166000108.1
367F55.3Low41.1Very low60 Ų60129.8 Ų129.826%0.26370%0.695SS.*  trans-104.5130.6175.1-65.4-73.5000110.6Y318 V322 P365 T369Y318-F367 HydrophobicContact CD1-CE2 4.12Å; Y318-F367 HydrophobicContact CD1-CZ 4.18Å; Y318-F367 HydrophobicContact CE1-CE2 4.24Å; Y318-F367 AromaticContact CE1-CZ 3.88Å; Y318-F367 HydrophobicContact CE1-CZ 3.88Å; V322-F367 HydrophobicContact CG1-CG 4.5Å; V322-F367 HydrophobicContact CG2-CB 4.2Å; V322-F367 HydrophobicContact CG2-CD2 3.88Å; V322-F367 HydrophobicContact CG2-CG 4.13Å; P365-F367 HydrophobicContact CB-CD2 4.38Å; P365-F367 HydrophobicContact CB-CE1 4.49Å; P365-F367 HydrophobicContact CB-CE2 3.7Å; P365-F367 HydrophobicContact CB-CZ 3.76Å; P365-F367 HydrophobicContact CG-CE2 3.92Å; P365-F367 HydrophobicContact CG-CZ 4.01Å; P365-F367 WeakPolarHBondContact O-CD2 3.5Å; P365-F367 WeakPolarHBondContact O-CE2 3.45Å; P365-F367 PolarHBondContact O-N 2.86Å; F367-T369 PolarHBondContact O-N 3.24Å
368E40Very low39.8Very low189 Ų189127 Ų12788%0.88369%0.694SS**  trans-64.6115.8171.4-68-178.7171.600109.5
369T36.9Very low38.7Very low98 Ų98128.4 Ų128.460%0.60170%0.701SS**  trans-88.5122.6-178.844.90000109.9F367F367-T369 PolarHBondContact O-N 3.24Å
370N34.7Very low37.9Very low130 Ų130128.2 Ų128.270%0.69571%0.71SS**  trans-89.1119170.4-172.4-16.1000108.9N372N370-N372 PolarHBondContact O-N 3.04Å
371V34.5Very low36.6Very low131 Ų131132.3 Ų132.379%0.79473%0.726SS**  trans-80.98.6-164.6-148.40000114
372N31.6Very low35.4Very low129 Ų129137 Ų13769%0.6974%0.74SS**  trans-118.189.3-176.1-71.9-7.8000111.2N370N370-N372 PolarHBondContact O-N 3.04Å
373N29.5Very low34.1Very low169 Ų169135.8 Ų135.890%0.90474%0.742SS**  trans173.492.4145.1-901.6000110.2
374F27.6Very low33.1Very low205 Ų205135 Ų13590%0.89974%0.744SS**  trans-132.587.2167.1-174.5-94.8000108.7
375C27.6Very low31.5Very low136 Ų136136.1 Ų136.192%0.91976%0.759SS**  trans-163.5117.8161.6-95.70000107.9
376G26.9Very low30.5Very low75 Ų75141.7 Ų141.777%0.77378%0.78SS**  trans-170.865.9179.800000108.3
377E25.3Very low29.3Very low174 Ų174137.8 Ų137.881%0.81377%0.768SS**  trans-60.4125.1167.6-76.4165.1153.900108.8
378T28Very low28Very low121 Ų121142 Ų14274%0.74279%0.793SS**  trans-122.1101154.153.40000106.3S380T378-S380 PolarHBondContact O-N 3.36Å
379D22.3Very low27.5Very low148 Ų148142.2 Ų142.279%0.79180%0.795SS**  trans-61122.1168.7-64-45.6000109.5
380S27.8Very low27.4Very low112 Ų112142.5 Ų142.578%0.78380%0.801SS**  trans-150.786.2157.158.90000107.1T378 Q382T378-S380 PolarHBondContact O-N 3.36Å; S380-Q382 PolarHBondContact O-N 3.15Å
381E21Very low27.6Very low193 Ų193139.5 Ų139.590%0.90280%0.8SS**  trans-63.6113.6161.7-63.7-177.314500108
382Q26.2Very low27.7Very low190 Ų190141.9 Ų141.989%0.88880%0.803SS**  trans-136.8106.1155.5-109.6176.5-0.200108.7S380S380-Q382 PolarHBondContact O-N 3.15Å
383S21.3Very low28.2Very low117 Ų117141.5 Ų141.582%0.81880%0.797SS**  trans-54.8125.3163.551.40000110
384N25.8Very low28.8Very low149 Ų149139.8 Ų139.880%0.79778%0.783SS**  trans-131.7117145.3-160.920000109.1
385S21.3Very low29.5Very low104 Ų104135.2 Ų135.273%0.72776%0.764SS**  trans-86.3112.2175.948.20000109
386Q26.9Very low30.7Very low171 Ų171132 Ų13280%0.79974%0.743SS**  trans-162110.3148.6-121.4166.1-13.200110.4
387S25.6Very low31.8Very low93 Ų93135.8 Ų135.865%0.6573%0.734SS**  60.1119.5129.9-560000121.5
388D27.7Very low33.2Very low148 Ų148134 Ų13479%0.79172%0.724SS**  trans99.4115.7134-53.1-18.8000120.7
389E29.7Very low34.5Very low194 Ų194136.5 Ų136.591%0.90772%0.72SS**  trans42.796.7152.4-67.9-169144.500120.6
390S33.7Very low36Very low104 Ų104134.7 Ų134.773%0.72771%0.71SS**  trans-169.570.5137.842.50000109.8E392S390-E392 PolarHBondContact O-N 3.33Å
391G39Very low36.9Very low67 Ų67138.4 Ų138.469%0.69171%0.707SS**THydrogen-bonded Turntrans-74.6-14.7-168.800000117.1
392E37.8Very low38.3Very low180 Ų180137.1 Ų137.184%0.84170%0.698SS**THydrogen-bonded Turntrans-95-28.4-170.3-66.9-166.8148.900114.5S390S390-E392 PolarHBondContact O-N 3.33Å
393E40.3Very low39.1Very low122 Ų122137.8 Ų137.857%0.5769%0.692SS**Hα-helixtrans-79-24.1-176.6-128.2-165.8133.400113.4S396 R397E393-S396 PolarHBondContact O-OG 3.45Å; E393-S396 VanDerWaalsContact O-OG 3.07Å; E393-R397 IonicContact OE1-CZ 3.64Å; E393-R397 IonicContact OE1-NE 2.78Å; E393-R397 IonicContact OE1-NH2 2.9Å; E393-R397 PolarHBondContact OE1-NH2 3.29Å
394Q42.2Very low40.1Very low132 Ų132138.3 Ų138.362%0.61769%0.685SS**Hα-helixtrans-73.8-29.1178-104.8-168.211.400113.1K398Q394-K398 WeakPolarHBondContact O-CG 3.44Å; Q394-K398 PolarHBondContact O-N 3.4Å
395H43.7Very low41Very low109 Ų109137.4 Ų137.451%0.50568%0.68SS.*Hα-helixtrans-73.5-36-178.2-165.554.6000112.1R399H395-R399 PolarHBondContact NE2-NE 3.48Å; H395-R399 VanDerWaalsContact NE2-NE 3.19Å; H395-R399 PolarHBondContact O-N 3.12Å; H395-R399 VanDerWaalsContact O-N 3.16Å
396S51.6Low42Very low68 Ų68142.6 Ų142.648%0.47668%0.683SS.*Hα-helixtrans-66.6-42.4177.671.70000112E393 K398 R399 L400E393-S396 PolarHBondContact O-OG 3.45Å; E393-S396 VanDerWaalsContact O-OG 3.07Å; S396-K398 PolarHBondContact O-N 2.89Å; S396-R399 PolarHBondContact O-N 3.07Å; S396-L400 PolarHBondContact O-N 3.49Å
397R50.1Low42.2Very low155 Ų155144.7 Ų144.759%0.58568%0.684SS**Hα-helixtrans-66.3-37.1178.8-67-176-175.2-176.17.6112.5E393 R401E393-R397 IonicContact OE1-CZ 3.64Å; E393-R397 IonicContact OE1-NE 2.78Å; E393-R397 IonicContact OE1-NH2 2.9Å; E393-R397 PolarHBondContact OE1-NH2 3.29Å; R397-R401 WeakPolarHBondContact O-CB 3.43Å; R397-R401 PolarHBondContact O-N 3.23Å; R397-R401 VanDerWaalsContact O-N 3.09Å
398K55.1Low42.5Very low137 Ų137149.4 Ų149.460%0.59669%0.693SS**Hα-helixtrans-67-39174.3-74.5178.6-178.1172.50112Q394 S396 K402Q394-K398 WeakPolarHBondContact O-CG 3.44Å; Q394-K398 PolarHBondContact O-N 3.4Å; S396-K398 PolarHBondContact O-N 2.89Å; K398-K402 PolarHBondContact O-N 3.05Å
399R55.5Low42.6Very low173 Ų173150.3 Ų150.365%0.65369%0.692SS**Hα-helixtrans-65.8-43175.1-79.8-174.1-178-152.9-2112.3H395 S396 K402 R403H395-R399 PolarHBondContact NE2-NE 3.48Å; H395-R399 VanDerWaalsContact NE2-NE 3.19Å; H395-R399 PolarHBondContact O-N 3.12Å; H395-R399 VanDerWaalsContact O-N 3.16Å; S396-R399 PolarHBondContact O-N 3.07Å; R399-K402 PolarHBondContact O-N 2.96Å; R399-R403 PolarHBondContact O-N 3.4Å
400L53.8Low42.6Very low111 Ų111146.7 Ų146.758%0.58169%0.686SS**Hα-helixtrans-65.9-41.9179.9-164.771.2000111.9S396 K402 R403 L404S396-L400 PolarHBondContact O-N 3.49Å; L400-K402 VanDerWaalsContact C-N 3.35Å; L400-K402 PolarHBondContact O-N 3.47Å; L400-R403 PolarHBondContact O-N 3.33Å; L400-R403 VanDerWaalsContact O-N 3.1Å; L400-L404 WeakPolarHBondContact O-CG 3.4Å; L400-L404 PolarHBondContact O-N 2.84Å
401R46.4Very low42.3Very low190 Ų190147.5 Ų147.572%0.71769%0.69SS**Hα-helixtrans-64.5-37.8178.1-157175.1-178.9-171-0.9112.1R397 L405R397-R401 WeakPolarHBondContact O-CB 3.43Å; R397-R401 PolarHBondContact O-N 3.23Å; R397-R401 VanDerWaalsContact O-N 3.09Å; R401-L405 HydrophobicContact CG-CD1 4.48Å; R401-L405 WeakPolarHBondContact O-CD1 3.39Å; R401-L405 WeakPolarHBondContact O-CG 3.49Å; R401-L405 PolarHBondContact O-N 3.05Å; R401-L405 VanDerWaalsContact O-N 3.14Å
402K49.9Very low41.6Very low165 Ų165149.8 Ų149.872%0.71769%0.69SS**Hα-helixtrans-67.8-33.3171.8-103.7-179.2177176.70113K398 R399 L400 R406K398-K402 PolarHBondContact O-N 3.05Å; R399-K402 PolarHBondContact O-N 2.96Å; L400-K402 VanDerWaalsContact C-N 3.35Å; L400-K402 PolarHBondContact O-N 3.47Å; K402-R406 PolarHBondContact O-N 3.49Å
403R44Very low41.1Very low204 Ų204146.7 Ų146.777%0.7768%0.683SS**Hα-helixtrans-69.8-39.6176.9-126.3176.4-176.6177.70.3111.9R399 L400 R406R399-R403 PolarHBondContact O-N 3.4Å; L400-R403 PolarHBondContact O-N 3.33Å; L400-R403 VanDerWaalsContact O-N 3.1Å; R403-R406 PolarHBondContact O-N 3.32Å
404L41.6Very low40.3Very low128 Ų128147.4 Ų147.467%0.6769%0.691SS**Hα-helixtrans-70.1-36.2177.1-68.5172.3000112.5L400 R406 R407L400-L404 WeakPolarHBondContact O-CG 3.4Å; L400-L404 PolarHBondContact O-N 2.84Å; L404-R406 VanDerWaalsContact C-N 3.26Å; L404-R406 PolarHBondContact O-N 2.9Å; L404-R407 PolarHBondContact O-N 3.42Å
405L45.8Very low39.7Very low130 Ų130149.8 Ų149.868%0.68170%0.702SS**Hα-helixtrans-70.7-18.6175.5-77160.4000113.9R401R401-L405 HydrophobicContact CG-CD1 4.48Å; R401-L405 WeakPolarHBondContact O-CD1 3.39Å; R401-L405 WeakPolarHBondContact O-CG 3.49Å; R401-L405 PolarHBondContact O-N 3.05Å; R401-L405 VanDerWaalsContact O-N 3.14Å
406R40.7Very low38.5Very low213 Ų213150.4 Ų150.480%0.80471%0.713SS**THydrogen-bonded Turntrans-87-11.4-179.4-126-178.8-177.7-168.1-0.9113.7K402 R403 L404 K408K402-R406 PolarHBondContact O-N 3.49Å; R403-R406 PolarHBondContact O-N 3.32Å; L404-R406 VanDerWaalsContact C-N 3.26Å; L404-R406 PolarHBondContact O-N 2.9Å; R406-K408 PolarHBondContact O-N 2.98Å; R406-K408 VanDerWaalsContact O-N 3.15Å
407R31.8Very low37.3Very low216 Ų216154.9 Ų154.982%0.81573%0.732SS**  trans-89.559.8176-140.8-179.9-171-168.21.7109.5L404L404-R407 PolarHBondContact O-N 3.42Å
408K32.2Very low36Very low191 Ų191150.7 Ų150.783%0.8374%0.738SS**  trans-101.9100.2163-99.5-174.1173.8-175.30106.4R406R406-K408 PolarHBondContact O-N 2.98Å; R406-K408 VanDerWaalsContact O-N 3.15Å
409E29.2Very low34.3Very low167 Ų167153.1 Ų153.178%0.7875%0.751SS**  trans-65.3133.9164.4-69.8-179.4173.800108.5C411E409-C411 PolarHBondContact O-N 3.49Å
410P30.6Very low32.7Very low119 Ų119149.8 Ų149.877%0.77375%0.75SS**  trans-74.9115.7177.827.4-29.7000110V412P410-V412 PolarHBondContact O-N 3.17Å
411C26.7Very low31.2Very low120 Ų120152.4 Ų152.481%0.81176%0.759SS**  trans-74108.5167.1-169.40000108.6E409E409-C411 PolarHBondContact O-N 3.49Å
412V25Very low30Very low115 Ų115150.5 Ų150.570%0.69776%0.763SS**  trans-79.6111.1170.71760000107.5P410P410-V412 PolarHBondContact O-N 3.17Å
413V27.8Very low29Very low115 Ų115150.4 Ų150.470%0.69777%0.77SS**  trans-103.7112.4166.1176.70000107.6
414N23.2Very low28.1Very low137 Ų137144.2 Ų144.273%0.73376%0.762SS**  trans-70.8125.8171.1-65.4-31.5000109.3
415Q28.1Very low27.2Very low183 Ų183145 Ų14586%0.85577%0.767SS**  trans-119.1112.1151-74.3-173.2-3.200107.6
416T20.3Very low26.4Very low121 Ų121144.9 Ų144.974%0.74277%0.767SS**  trans-57.6139.3168.244.70000110.7
417N24.7Very low25.5Very low162 Ų162141.5 Ų141.587%0.86677%0.765SS**  trans-177.3122.9131.4-85.8-14.3000111.1
418G23.1Very low25.2Very low68 Ų68138.9 Ų138.970%0.70177%0.766SS**  trans72.798.2146.700000116.8
419E20.9Very low24.8Very low188 Ų188134.4 Ų134.488%0.87976%0.759SS**  70.7113.480.4-75.4-167.7157.700114.2
420T21.5Very low24.6Very low102 Ų102131 Ų13163%0.62675%0.754SS**  135.5118.6121-66.20000116
421Q22Very low24.4Very low167 Ų167132.3 Ų132.378%0.7875%0.754SS**  trans69.6110.1149.5-68.1163.436.300118.6
422L21.8Very low24.4Very low150 Ų150132.9 Ų132.979%0.78575%0.754SS**  63.9115.871.5-74.1169.6000113.6
423N28.8Very low24.6Very low163 Ų163134.3 Ų134.387%0.87276%0.756SS**  trans-176.396.7150.3-83.2-22.6000104.1
424A23.7Very low24.7Very low74 Ų74136.5 Ų136.561%0.61276%0.762SS**  56.9129.657.500000114.5
425N24.3Very low25.1Very low145 Ų145135.8 Ų135.878%0.77576%0.762SS**  trans92.4133.6170.9-50.3-16.4000114.5
426N27.1Very low25.3Very low126 Ų126134.1 Ų134.167%0.67476%0.759SS**  cis-165.3131.66.3-101-3.4000105
427D23.1Very low25.9Very low143 Ų143136.4 Ų136.477%0.76576%0.762SS**  71.5134.390.9-83.1-22.1000116.5
428L24.7Very low26.5Very low161 Ų161133.8 Ų133.884%0.84375%0.753SS**  trans102.1102.4144.3-122.665.4000120.3
429S23.5Very low27.5Very low96 Ų96140.1 Ų140.167%0.67176%0.757SS**  83.4114.7117.2-173.20000121
430S25.6Very low28.8Very low96 Ų96135.4 Ų135.467%0.67174%0.738SS**  80.2134.8127.6-59.10000121.8
431D25.7Very low30.5Very low147 Ų147133.5 Ų133.579%0.78673%0.728SS**  trans8689152.2-57.6-15.8000119.2
432V27.4Very low32.3Very low131 Ų131135.5 Ų135.579%0.79473%0.729SS**  17.1115.5120.3-174.60000115.7
433I30.3Very low34.2Very low146 Ų146135.4 Ų135.475%0.74972%0.722SS**  -165.9122.7112.6-87.4154.3000107.1V435I433-V435 HydrophobicContact CG2-CG2 3.9Å; I433-V435 PolarHBondContact O-N 3.44Å
434I28.9Very low35.8Very low161 Ų161133.7 Ų133.783%0.82671%0.707SS**  trans-80.7104.7174.8-61.5169.4000106.9
435V32.3Very low37.9Very low121 Ų121135.3 Ų135.373%0.73370%0.704SS**  trans-117.7124.8156.5176.70000105.9I433 E437I433-V435 HydrophobicContact CG2-CG2 3.9Å; I433-V435 PolarHBondContact O-N 3.44Å; V435-E437 PolarHBondContact O-N 3.13Å
436D30.9Very low39.9Very low149 Ų149134.4 Ų134.480%0.79769%0.694SS**  trans-54.795.1-177.7-71.3-49.3000111.2
437E34.3Very low41.5Very low169 Ų169134.7 Ų134.779%0.7969%0.691SS**  trans-76122.4171.4-171132.6-154.200108.5V435 Y439V435-E437 PolarHBondContact O-N 3.13Å; E437-Y439 PolarHBondContact O-N 2.98Å
438P35.9Very low43.3Very low107 Ų107133 Ų13370%0.69568%0.679SS**  trans-63.2137.5-17221.6-32.9000112.3I440P438-I440 WeakPolarHBondContact O-CG1 3.31Å; P438-I440 PolarHBondContact O-N 3.47Å
439Y45.6Very low45.1Very low200 Ų200132.1 Ų132.178%0.78467%0.668SS**  trans-40.9106.8178.9179.4-96.8000113.4E437 S441E437-Y439 PolarHBondContact O-N 2.98Å; Y439-S441 PolarHBondContact O-N 3.4Å
440I48.5Very low46.3Very low90 Ų90131.5 Ų131.546%0.46266%0.657SS.*  trans-86.1112.3173.2-58.9-178.9000109.3P438 K444P438-I440 WeakPolarHBondContact O-CG1 3.31Å; P438-I440 PolarHBondContact O-N 3.47Å; I440-K444 HydrophobicContact CG2-CB 3.77Å; I440-K444 HydrophobicContact CG2-CD 4.14Å; I440-K444 HydrophobicContact CG2-CG 4.37Å
441S56.5Low47.5Very low62 Ų62134.8 Ų134.843%0.43466%0.662SS.*  trans-52.7141.2175.91720000113.2Y439 K443 K444 L445Y439-S441 PolarHBondContact O-N 3.4Å; S441-K443 PolarHBondContact O-N 3.12Å; S441-K443 PolarHBondContact OG-N 3.35Å; S441-K444 PolarHBondContact O-N 2.94Å; S441-L445 PolarHBondContact O-N 3Å
442R59.6Low48.4Very low209 Ų209131.5 Ų131.579%0.78966%0.655SS**Hα-helixtrans-51.8-25.8177.4-66.6-175.8-163.5-175.45.1114K446R442-K446 WeakPolarHBondContact O-CB 3.31Å; R442-K446 PolarHBondContact O-N 2.97Å
443K61.7Low48.9Very low147 Ų147129.4 Ų129.464%0.63964%0.642SS**Hα-helixtrans-64.8-39.1174.8-89.9-179.2177.6171.30112.1S441 K446 Q447S441-K443 PolarHBondContact O-N 3.12Å; S441-K443 PolarHBondContact OG-N 3.35Å; K443-K446 PolarHBondContact O-N 3.44Å; K443-Q447 PolarHBondContact O-N 3.04Å
444K61.6Low49.1Very low128 Ų128131.6 Ų131.656%0.55765%0.647SS**Hα-helixtrans-78-39.2-178.9-149.4176.9-172.2-176.60111.1I440 S441 K446 Q447 Q448I440-K444 HydrophobicContact CG2-CB 3.77Å; I440-K444 HydrophobicContact CG2-CD 4.14Å; I440-K444 HydrophobicContact CG2-CG 4.37Å; S441-K444 PolarHBondContact O-N 2.94Å; K444-K446 VanDerWaalsContact C-N 3.27Å; K444-K446 PolarHBondContact O-N 2.89Å; K444-Q447 PolarHBondContact O-N 2.88Å; K444-Q448 WeakPolarHBondContact O-CG 3.42Å; K444-Q448 PolarHBondContact O-N 3.43Å
445L67.7Low49Very low107 Ų107132.4 Ų132.456%0.5664%0.644SS**Hα-helixtrans-61.5-38.6170.5-165.771.4000111.1S441 K449S441-L445 PolarHBondContact O-N 3Å; L445-K449 VanDerWaalsContact O-CB 3.28Å; L445-K449 WeakPolarHBondContact O-CB 3.36Å; L445-K449 PolarHBondContact O-N 2.92Å
446K66.8Low48.8Very low127 Ų127131.8 Ų131.855%0.55265%0.645SS**Hα-helixtrans-69.5-40.4175.8-173.6170.4179-1720112.4R442 K443 K444 Q448 K449 D450R442-K446 WeakPolarHBondContact O-CB 3.31Å; R442-K446 PolarHBondContact O-N 2.97Å; K443-K446 PolarHBondContact O-N 3.44Å; K444-K446 VanDerWaalsContact C-N 3.27Å; K444-K446 PolarHBondContact O-N 2.89Å; K446-Q448 VanDerWaalsContact C-N 3.35Å; K446-Q448 PolarHBondContact O-N 3.25Å; K446-K449 CarbonylContact O-C 3.23Å; K446-K449 PolarHBondContact O-N 3.03Å; K446-D450 WeakPolarHBondContact CE-OD2 3.3Å; K446-D450 WeakPolarHBondContact CG-OD2 3.49Å; K446-D450 WeakPolarHBondContact O-CB 3.46Å; K446-D450 PolarHBondContact O-N 3.09Å
447Q61.7Low48.9Very low131 Ų131130.8 Ų130.861%0.61264%0.644SS**Hα-helixtrans-63.2-39.5173.8-82.7177.2-16.500112.8K443 K444 D450 Q451K443-Q447 PolarHBondContact O-N 3.04Å; K444-Q447 PolarHBondContact O-N 2.88Å; Q447-D450 PolarHBondContact O-N 3.35Å; Q447-Q451 WeakPolarHBondContact O-CG 3.42Å; Q447-Q451 PolarHBondContact O-N 3.4Å
448Q61.2Low48.5Very low109 Ų109129.8 Ų129.851%0.50964%0.64SS.*Hα-helixtrans-66.9-39.4174.6-72.8178.62.400111.6K444 K446 Q451 A452K444-Q448 WeakPolarHBondContact O-CG 3.42Å; K444-Q448 PolarHBondContact O-N 3.43Å; K446-Q448 VanDerWaalsContact C-N 3.35Å; K446-Q448 PolarHBondContact O-N 3.25Å; Q448-Q451 PolarHBondContact O-N 2.96Å; Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 3.1Å
449K61Low48.3Very low142 Ų142131.9 Ų131.962%0.61764%0.644SS**Hα-helixtrans-68.3-39.1174.6-146173.9-171178.20111.6L445 K446 Q451 A452 T453L445-K449 VanDerWaalsContact O-CB 3.28Å; L445-K449 WeakPolarHBondContact O-CB 3.36Å; L445-K449 PolarHBondContact O-N 2.92Å; K446-K449 CarbonylContact O-C 3.23Å; K446-K449 PolarHBondContact O-N 3.03Å; K449-Q451 VanDerWaalsContact C-N 3.31Å; K449-Q451 PolarHBondContact O-N 3.15Å; K449-A452 CarbonylContact O-C 3.6Å; K449-A452 PolarHBondContact O-N 3.49Å; K449-A452 VanDerWaalsContact O-N 3.16Å; K449-T453 VanDerWaalsContact O-CB 3.26Å; K449-T453 WeakPolarHBondContact O-CB 3.47Å; K449-T453 PolarHBondContact O-N 2.87Å; K449-T453 PolarHBondContact O-OG1 3.48Å
450D49.5Very low47.5Very low82 Ų82129.1 Ų129.144%0.43964%0.636SS.*Hα-helixtrans-69.2-30.6179.1-67.4-13.9000110.8K446 Q447K446-D450 WeakPolarHBondContact CE-OD2 3.3Å; K446-D450 WeakPolarHBondContact CG-OD2 3.49Å; K446-D450 WeakPolarHBondContact O-CB 3.46Å; K446-D450 PolarHBondContact O-N 3.09Å; Q447-D450 PolarHBondContact O-N 3.35Å
451Q50.5Low46.9Very low166 Ų166129.4 Ų129.478%0.77664%0.643SS**Hα-helixtrans-72.9-34.8169.3-75-179.86.200112.9Q447 Q448 K449Q447-Q451 WeakPolarHBondContact O-CG 3.42Å; Q447-Q451 PolarHBondContact O-N 3.4Å; Q448-Q451 PolarHBondContact O-N 2.96Å; K449-Q451 VanDerWaalsContact C-N 3.31Å; K449-Q451 PolarHBondContact O-N 3.15Å
452A44.7Very low45.7Very low77 Ų77133.8 Ų133.864%0.63667%0.667SS**Hα-helixtrans-79.9-29178.300000113.7Q448 K449Q448-A452 WeakPolarHBondContact O-CB 3.35Å; Q448-A452 PolarHBondContact O-N 3.1Å; K449-A452 CarbonylContact O-C 3.6Å; K449-A452 PolarHBondContact O-N 3.49Å; K449-A452 VanDerWaalsContact O-N 3.16Å
453T37.6Very low44.3Very low87 Ų87131.5 Ų131.553%0.53466%0.663SS.*SBendtrans-95.65.7-174.2-33.20000112.8K449 K455K449-T453 VanDerWaalsContact O-CB 3.26Å; K449-T453 WeakPolarHBondContact O-CB 3.47Å; K449-T453 PolarHBondContact O-N 2.87Å; K449-T453 PolarHBondContact O-OG1 3.48Å; T453-K455 PolarHBondContact O-N 2.94Å
454F35.3Very low43.1Very low192 Ų192127.8 Ų127.884%0.84266%0.656SS**SBendtrans-76.212.2168.7-124.7-84.9000113.5
455K27Very low42.7Very low179 Ų179129.9 Ų129.978%0.77867%0.673SS**SBendtrans-122113.9168.5-72.6-177.2178.2178.90109.7T453T453-K455 PolarHBondContact O-N 2.94Å
456S27.2Very low42.4Very low107 Ų107128.9 Ų128.975%0.74867%0.668SS**  trans77.5130.7169.1-440000114.4
457V33.4Very low43Very low129 Ų129124.9 Ų124.978%0.78266%0.662SS**  cis-148.2129.742.41700000109.9I459V457-I459 HydrophobicContact CG1-CG1 4.33Å
458E25.7Very low44Very low147 Ų147119.8 Ų119.869%0.68764%0.638SS**  trans-93.4115.1178.2-167.4-176.1-171.300109.7K460E458-K460 HydrophobicContact CG-CG 4.17Å; E458-K460 WeakPolarHBondContact OE1-CE 3.21Å; E458-K460 IonicContact OE1-NZ 3.25Å; E458-K460 WeakPolarHBondContact OE2-CE 3.44Å; E458-K460 IonicContact OE2-NZ 2.7Å; E458-K460 PolarHBondContact OE2-NZ 3.35Å
459I31.9Very low45.3Very low152 Ų152117.5 Ų117.578%0.77963%0.631SS**  trans-103.8112.7170.7-59.2172.7000107.1V457 P461V457-I459 HydrophobicContact CG1-CG1 4.33Å; I459-P461 VanDerWaalsContact O-CD 3.26Å; I459-P461 WeakPolarHBondContact O-CD 3.39Å
460K28Very low46.6Very low142 Ų142118.7 Ų118.762%0.61764%0.637SS**  trans-94109.6-177.8-68.3178.8-177.8171.10111E458E458-K460 HydrophobicContact CG-CG 4.17Å; E458-K460 WeakPolarHBondContact OE1-CE 3.21Å; E458-K460 IonicContact OE1-NZ 3.25Å; E458-K460 WeakPolarHBondContact OE2-CE 3.44Å; E458-K460 IonicContact OE2-NZ 2.7Å; E458-K460 PolarHBondContact OE2-NZ 3.35Å
461P36.3Very low48.5Very low95 Ų95119 Ų11962%0.61764%0.641SS**PPolyproline II helixtrans-78.9150.6166.931.7-32000111I459 K463I459-P461 VanDerWaalsContact O-CD 3.26Å; I459-P461 WeakPolarHBondContact O-CD 3.39Å; P461-K463 WeakPolarHBondContact O-CG 3.37Å; P461-K463 PolarHBondContact O-N 3.47Å
462V31.7Very low50.4Low155 Ų155111.9 Ų111.994%0.93961%0.608SS**PPolyproline II helixtrans-55116.6-176179.20000111
463K30.6Very low52.7Low160 Ų160110.2 Ų110.270%0.69659%0.587SS**PPolyproline II helixtrans-91.8125.7-175.1-60.3-179.3180-1790110.3P461P461-K463 WeakPolarHBondContact O-CG 3.37Å; P461-K463 PolarHBondContact O-N 3.47Å
464S36.6Very low55.3Low70 Ų70111.1 Ų111.149%0.4959%0.585SS.*PPolyproline II helixtrans-74.2155.5158.247.80000109.6D466 G467 W468S464-D466 PolarHBondContact O-N 2.92Å; S464-G467 PolarHBondContact O-N 2.96Å; S464-W468 PolarHBondContact OG-O 3.39Å
465N52.7Low58.1Low172 Ų172105.4 Ų105.492%0.9256%0.561SS**THydrogen-bonded Turntrans-54.8-19.8-169.5-85.6-9.4000116
466D61.1Low61.3Low86 Ų8697 Ų9746%0.4653%0.525SS..THydrogen-bonded Turntrans-102.412-179.8-64.3-29000113.9S464 W468 Y512S464-D466 PolarHBondContact O-N 2.92Å; D466-W468 PolarHBondContact O-N 3.26Å; D466-Y512 PolarHBondContact OD1-OH 3.39Å; D466-Y512 WeakPolarHBondContact OD2-CE1 3.36Å; D466-Y512 PolarHBondContact OD2-OH 3.09Å
467G78.3Confident64.5Low42 Ų4296.3 Ų96.343%0.43351%0.51SS..SBendtrans67.92.817300000115.6S464 R501S464-G467 PolarHBondContact O-N 2.96Å; G467-R501 PolarHBondContact O-NH2 3.46Å
468W83.6Confident67.4Low24 Ų2495 Ų959%0.09150%0.501CS..  trans-94.3129174.4-85.372000111.5S464 D466 E472 L476 I498 R501 V506 H509S464-W468 PolarHBondContact OG-O 3.39Å; D466-W468 PolarHBondContact O-N 3.26Å; W468-E472 HydrophobicContact CE3-CB 3.67Å; W468-E472 HydrophobicContact CZ3-CB 3.94Å; W468-L476 HydrophobicContact CH2-CD2 3.83Å; W468-L476 HydrophobicContact CZ3-CB 4.06Å; W468-L476 HydrophobicContact CZ3-CD2 3.86Å; W468-I498 HydrophobicContact CH2-CD1 4.27Å; W468-I498 HydrophobicContact CZ3-CD1 4.21Å; W468-R501 HydrophobicContact CH2-CG 4.43Å; W468-R501 HydrophobicContact CZ2-CG 4.44Å; W468-V506 HydrophobicContact CH2-CG2 4.22Å; W468-H509 AromaticContact CD1-CE1 3.67Å; W468-H509 AromaticContact CD1-CG 3.95Å; W468-H509 AromaticContact CD1-ND1 3.68Å; W468-H509 AromaticContact CD1-NE2 3.96Å; W468-H509 AromaticContact CD2-CD2 3.5Å; W468-H509 VanDerWaalsContact CD2-CD2 3.5Å; W468-H509 AromaticContact CD2-CG 3.97Å; W468-H509 AromaticContact CD2-NE2 3.56Å; W468-H509 AromaticContact CE2-CD2 3.3Å; W468-H509 AromaticContact CE2-CG 3.38Å; W468-H509 AromaticContact CE2-ND1 3.95Å; W468-H509 AromaticContact CE2-NE2 3.81Å; W468-H509 AromaticContact CE3-CD2 3.84Å; W468-H509 AromaticContact CE3-NE2 3.96Å; W468-H509 AromaticContact CG-CE1 3.81Å; W468-H509 AromaticContact CG-NE2 3.72Å; W468-H509 HydrophobicContact CH2-CB 4.42Å; W468-H509 AromaticContact CH2-CD2 3.87Å; W468-H509 HydrophobicContact CZ2-CB 3.51Å; W468-H509 AromaticContact CZ2-CD2 3.51Å; W468-H509 AromaticContact CZ2-CG 3.64Å; W468-H509 AromaticContact NE1-CD2 3.71Å; W468-H509 AromaticContact NE1-CE1 3.88Å; W468-H509 AromaticContact NE1-CG 3.36Å; W468-H509 AromaticContact NE1-ND1 3.5Å
469T88.3Confident70.7Confident62 Ų6288 Ų8838%0.3847%0.469SS..  trans-75.3154.2173.8670000111.1V471 E472 Q473T469-V471 PolarHBondContact O-N 3.47Å; T469-E472 PolarHBondContact N-OE2 2.88Å; T469-E472 PolarHBondContact O-N 2.99Å; T469-E472 WeakPolarHBondContact OG1-CB 3.35Å; T469-E472 VanDerWaalsContact OG1-CD 3.28Å; T469-E472 WeakPolarHBondContact OG1-CG 3.49Å; T469-E472 PolarHBondContact OG1-N 3.49Å; T469-E472 PolarHBondContact OG1-OE2 3.04Å; T469-Q473 PolarHBondContact O-N 2.87Å
470K87.8Confident73.6Confident167 Ų16783.6 Ų83.673%0.72645%0.446SS*.Hα-helixtrans-57.8-34.1177.5-170.5177.6-178.4-179.90112.5Q474K470-Q474 WeakPolarHBondContact O-CG 3.39Å; K470-Q474 PolarHBondContact O-N 3.45Å; K470-Q474 VanDerWaalsContact O-N 3.08Å
471V89.2Confident76.5Confident89 Ų8987.1 Ų87.154%0.53946%0.456SS..Hα-helixtrans-69.9-45.9178.4179.60000110.9T469 Q473 Q474 Q475T469-V471 PolarHBondContact O-N 3.47Å; V471-Q473 VanDerWaalsContact C-N 3.31Å; V471-Q473 PolarHBondContact O-N 3Å; V471-Q474 PolarHBondContact O-N 3.18Å; V471-Q475 WeakPolarHBondContact O-CG 3.39Å; V471-Q475 PolarHBondContact O-N 3.06Å
472E91.7Very high79.1Confident15 Ų1586.6 Ų86.67%0.0746%0.455CS..Hα-helixtrans-60.6-41.6176-72.1169.2141.700111.4W468 T469 Q475 L476 I498 T500 R501W468-E472 HydrophobicContact CE3-CB 3.67Å; W468-E472 HydrophobicContact CZ3-CB 3.94Å; T469-E472 PolarHBondContact N-OE2 2.88Å; T469-E472 PolarHBondContact O-N 2.99Å; T469-E472 WeakPolarHBondContact OG1-CB 3.35Å; T469-E472 VanDerWaalsContact OG1-CD 3.28Å; T469-E472 WeakPolarHBondContact OG1-CG 3.49Å; T469-E472 PolarHBondContact OG1-N 3.49Å; T469-E472 PolarHBondContact OG1-OE2 3.04Å; E472-Q475 PolarHBondContact O-N 2.86Å; E472-L476 PolarHBondContact O-N 2.95Å; E472-I498 HydrophobicContact CG-CG2 4.35Å; E472-T500 PolarHBondContact OE1-OG1 3Å; E472-R501 IonicContact OE1-CZ 3.94Å; E472-R501 IonicContact OE1-NE 3.59Å; E472-R501 PolarHBondContact OE1-NE 3.1Å; E472-R501 IonicContact OE1-NH2 3.67Å; E472-R501 PolarHBondContact OE1-NH2 2.96Å; E472-R501 IonicContact OE2-CZ 2.93Å; E472-R501 IonicContact OE2-NE 3.76Å; E472-R501 IonicContact OE2-NH2 3.4Å; E472-R501 PolarHBondContact OE2-NH2 3.47Å
473Q92.2Very high82.1Confident43 Ų4380.1 Ų80.120%0.20142%0.415CS..Hα-helixtrans-62.7-43.4176.9-175.963.627.100111.9T469 V471 Q475 L476 E477 H509T469-Q473 PolarHBondContact O-N 2.87Å; V471-Q473 VanDerWaalsContact C-N 3.31Å; V471-Q473 PolarHBondContact O-N 3Å; Q473-Q475 PolarHBondContact O-N 3.19Å; Q473-L476 PolarHBondContact O-N 3.08Å; Q473-E477 PolarHBondContact NE2-OE1 2.92Å; Q473-E477 WeakPolarHBondContact O-CG 3.32Å; Q473-E477 PolarHBondContact O-N 2.88Å; Q473-H509 PolarHBondContact OE1-NE2 3.44Å
474Q93Very high84.9Confident105 Ų10574.5 Ų74.549%0.49140%0.402SS..Hα-helixtrans-63.4-40.3175.8-76.7178.1-15.900112.2K470 V471 L476 E477 V478K470-Q474 WeakPolarHBondContact O-CG 3.39Å; K470-Q474 PolarHBondContact O-N 3.45Å; K470-Q474 VanDerWaalsContact O-N 3.08Å; V471-Q474 PolarHBondContact O-N 3.18Å; Q474-L476 VanDerWaalsContact C-N 3.34Å; Q474-E477 PolarHBondContact O-N 3.16Å; Q474-V478 VanDerWaalsContact O-CG2 3.31Å; Q474-V478 WeakPolarHBondContact O-CG2 3.42Å; Q474-V478 PolarHBondContact O-N 2.92Å
475Q94.6Very high87.2Confident73 Ų7380.7 Ų80.734%0.34142%0.42SS..Hα-helixtrans-62.8-41.5175.4-71.5172.9-14.500111.6V471 E472 Q473 V478 A479 I498V471-Q475 WeakPolarHBondContact O-CG 3.39Å; V471-Q475 PolarHBondContact O-N 3.06Å; E472-Q475 PolarHBondContact O-N 2.86Å; Q473-Q475 PolarHBondContact O-N 3.19Å; Q475-V478 PolarHBondContact O-N 3.06Å; Q475-A479 VanDerWaalsContact O-CB 3.27Å; Q475-A479 WeakPolarHBondContact O-CB 3.48Å; Q475-A479 PolarHBondContact O-N 3.22Å; Q475-I498 HydrophobicContact CB-CD1 4.43Å; Q475-I498 HydrophobicContact CB-CG1 3.95Å
476L94.1Very high88.7Confident2 Ų276.1 Ų76.11%0.0141%0.414CS..Hα-helixtrans-62.3-45.3176.2-177.461.7000112.3W468 E472 Q473 Q474 V478 A479 I480 I494 I498 V506 V510W468-L476 HydrophobicContact CH2-CD2 3.83Å; W468-L476 HydrophobicContact CZ3-CB 4.06Å; W468-L476 HydrophobicContact CZ3-CD2 3.86Å; E472-L476 PolarHBondContact O-N 2.95Å; Q473-L476 PolarHBondContact O-N 3.08Å; Q474-L476 VanDerWaalsContact C-N 3.34Å; L476-V478 PolarHBondContact O-N 3.24Å; L476-A479 PolarHBondContact O-N 3.49Å; L476-I480 HydrophobicContact CD1-CD1 3.76Å; L476-I480 HydrophobicContact CD1-CG1 4.1Å; L476-I480 HydrophobicContact CD2-CD1 4.49Å; L476-I480 HydrophobicContact CG-CD1 3.79Å; L476-I480 HydrophobicContact CG-CG1 4.45Å; L476-I480 WeakPolarHBondContact O-CB 3.49Å; L476-I480 VanDerWaalsContact O-CG1 3.29Å; L476-I480 WeakPolarHBondContact O-CG1 3.28Å; L476-I480 PolarHBondContact O-N 3.23Å; L476-I494 HydrophobicContact CD1-CG2 3.83Å; L476-I498 HydrophobicContact CB-CD1 3.68Å; L476-I498 HydrophobicContact CD1-CD1 3.94Å; L476-I498 HydrophobicContact CG-CD1 4.4Å; L476-V506 HydrophobicContact CD1-CG1 3.64Å; L476-V510 HydrophobicContact CD1-CG2 4.22Å; L476-V510 HydrophobicContact CD2-CG2 4.05Å
477E93.7Very high90Very high93 Ų9374.1 Ų74.144%0.43541%0.405SS..Hα-helixtrans-62.8-41.9178.6-74.5175.8-164.800112.2Q473 Q474 R481Q473-E477 PolarHBondContact NE2-OE1 2.92Å; Q473-E477 WeakPolarHBondContact O-CG 3.32Å; Q473-E477 PolarHBondContact O-N 2.88Å; Q474-E477 PolarHBondContact O-N 3.16Å; E477-R481 VanDerWaalsContact O-CG 3.29Å; E477-R481 WeakPolarHBondContact O-CG 3.13Å; E477-R481 PolarHBondContact O-N 3.12Å
478V94.6Very high90.4Very high100 Ų10076.8 Ų76.861%0.60641%0.414SS*.Hα-helixtrans-66.1-45.1176.1173.10000110.9Q474 Q475 L476 I480 R481 S482Q474-V478 VanDerWaalsContact O-CG2 3.31Å; Q474-V478 WeakPolarHBondContact O-CG2 3.42Å; Q474-V478 PolarHBondContact O-N 2.92Å; Q475-V478 PolarHBondContact O-N 3.06Å; L476-V478 PolarHBondContact O-N 3.24Å; V478-I480 PolarHBondContact O-N 3.2Å; V478-R481 PolarHBondContact O-N 3.41Å; V478-S482 PolarHBondContact O-N 3.23Å; V478-S482 PolarHBondContact O-OG 3.28Å
479A94.6Very high90.7Very high2 Ų282.3 Ų82.32%0.01744%0.441CS..Hα-helixtrans-65.2-38.5-179.800000113Q475 L476 R481 S482 I483 I494 C497Q475-A479 VanDerWaalsContact O-CB 3.27Å; Q475-A479 WeakPolarHBondContact O-CB 3.48Å; Q475-A479 PolarHBondContact O-N 3.22Å; L476-A479 PolarHBondContact O-N 3.49Å; A479-R481 VanDerWaalsContact C-N 3.32Å; A479-R481 PolarHBondContact O-N 3.02Å; A479-S482 WeakPolarHBondContact CA-OG 3.35Å; A479-S482 PolarHBondContact O-N 3.15Å; A479-S482 PolarHBondContact O-OG 2.91Å; A479-S482 VanDerWaalsContact O-OG 3.13Å; A479-I483 WeakPolarHBondContact O-CB 3.42Å; A479-I483 PolarHBondContact O-N 2.69Å; A479-I494 HydrophobicContact CB-CG1 4.41Å; A479-I494 HydrophobicContact CB-CG2 4.08Å; A479-C497 HydrophobicContact CB-CB 3.93Å
480I92.9Very high90.9Very high58 Ų5881 Ų8130%0.29743%0.429SS..Hα-helixtrans-67.1-35.1176.6-72.8172.3000111.4L476 V478 I494 V510L476-I480 HydrophobicContact CD1-CD1 3.76Å; L476-I480 HydrophobicContact CD1-CG1 4.1Å; L476-I480 HydrophobicContact CD2-CD1 4.49Å; L476-I480 HydrophobicContact CG-CD1 3.79Å; L476-I480 HydrophobicContact CG-CG1 4.45Å; L476-I480 WeakPolarHBondContact O-CB 3.49Å; L476-I480 VanDerWaalsContact O-CG1 3.29Å; L476-I480 WeakPolarHBondContact O-CG1 3.28Å; L476-I480 PolarHBondContact O-N 3.23Å; V478-I480 PolarHBondContact O-N 3.2Å; I480-I494 HydrophobicContact CG1-CD1 4.28Å; I480-V510 HydrophobicContact CD1-CG2 3.77Å
481R90.1Very high91.1Very high216 Ų21676.3 Ų76.382%0.81541%0.407SS*.Hα-helixtrans-73.4-38.3176.8-73.2176.6-176-146.53.2112.3E477 V478 A479E477-R481 VanDerWaalsContact O-CG 3.29Å; E477-R481 WeakPolarHBondContact O-CG 3.13Å; E477-R481 PolarHBondContact O-N 3.12Å; V478-R481 PolarHBondContact O-N 3.41Å; A479-R481 VanDerWaalsContact C-N 3.32Å; A479-R481 PolarHBondContact O-N 3.02Å
482S90.7Very high91.3Very high85 Ų8575.2 Ų75.259%0.59440%0.398SS*.Hα-helixtrans-75.8-32.1-179.464.20000112.8V478 A479V478-S482 PolarHBondContact O-N 3.23Å; V478-S482 PolarHBondContact O-OG 3.28Å; A479-S482 WeakPolarHBondContact CA-OG 3.35Å; A479-S482 PolarHBondContact O-N 3.15Å; A479-S482 PolarHBondContact O-OG 2.91Å; A479-S482 VanDerWaalsContact O-OG 3.13Å
483I92.8Very high91.3Very high19 Ų1980.3 Ų80.310%0.09742%0.417CS..SBendtrans-104.4101.3-177.2-54162.5000110.7A479 T487 R490 R493 I494A479-I483 WeakPolarHBondContact O-CB 3.42Å; A479-I483 PolarHBondContact O-N 2.69Å; I483-T487 HydrophobicContact CG2-CG2 4.41Å; I483-R490 HydrophobicContact CG2-CB 4.21Å; I483-R490 HydrophobicContact CG2-CG 3.74Å; I483-R490 PolarHBondContact O-NE 3.47Å; I483-R490 PolarHBondContact O-NH2 3.38Å; I483-R493 HydrophobicContact CD1-CB 3.62Å; I483-I494 HydrophobicContact CB-CG1 4.38Å; I483-I494 HydrophobicContact CD1-CB 4.44Å; I483-I494 HydrophobicContact CD1-CG1 3.6Å
484G89.4Confident91.5Very high42 Ų4278.2 Ų78.243%0.43341%0.407SS..  trans-58.3155.5178.500000114.1G486 T487 R490G484-G486 PolarHBondContact O-N 3.4Å; G484-G486 VanDerWaalsContact O-N 3.09Å; G484-T487 PolarHBondContact O-N 2.92Å; G484-T487 PolarHBondContact O-OG1 3.34Å; G484-R490 VanDerWaalsContact O-CD 3.28Å; G484-R490 WeakPolarHBondContact O-CD 3.5Å; G484-R490 PolarHBondContact O-NE 2.93Å
485K86.4Confident91.5Very high199 Ų19974.3 Ų74.387%0.86539%0.391SS*.THydrogen-bonded Turntrans-66.2-10.3-172.3-65.7-180-178.5177.90115.3
486G84.7Confident91.3Very high77 Ų7778.4 Ų78.479%0.79441%0.41SS*.THydrogen-bonded Turntrans-104.21.3-178.700000115.6G484G484-G486 PolarHBondContact O-N 3.4Å; G484-G486 VanDerWaalsContact O-N 3.09Å
487T88Confident91.1Very high44 Ų4481.2 Ų81.227%0.2743%0.429SS..  trans-72.3131-177.2-48.50000111I483 G484 R490I483-T487 HydrophobicContact CG2-CG2 4.41Å; G484-T487 PolarHBondContact O-N 2.92Å; G484-T487 PolarHBondContact O-OG1 3.34Å; T487-R490 WeakPolarHBondContact O-CB 3.46Å; T487-R490 PolarHBondContact O-N 3.08Å
488P86.6Confident91.1Very high97 Ų9776.8 Ų76.863%0.6341%0.408SS*.THydrogen-bonded Turntrans-59.5141.6170.525.9-33.5000109.7R490P488-R490 PolarHBondContact O-N 3.36Å
489E89.5Confident90.8Very high140 Ų14077.4 Ų77.465%0.65441%0.414SS*.THydrogen-bonded Turntrans57.528.2-177.6-57.9-178.7164.300114.6W491 D492 R493E489-W491 VanDerWaalsContact C-N 3.25Å; E489-W491 PolarHBondContact O-N 3.49Å; E489-W491 VanDerWaalsContact O-N 3.12Å; E489-D492 HydrophobicContact CB-CB 4.24Å; E489-D492 PolarHBondContact O-N 2.87Å; E489-R493 PolarHBondContact O-N 2.66Å; E489-R493 VanDerWaalsContact O-N 3.14Å
490R92.4Very high90.6Very high34 Ų3481.8 Ų81.813%0.12844%0.441CS..Hα-helixtrans-45.7-47179.6171.3168.5-166.3-84.3-5.5113.7I483 G484 T487 P488 R493 I494I483-R490 HydrophobicContact CG2-CB 4.21Å; I483-R490 HydrophobicContact CG2-CG 3.74Å; I483-R490 PolarHBondContact O-NE 3.47Å; I483-R490 PolarHBondContact O-NH2 3.38Å; G484-R490 VanDerWaalsContact O-CD 3.28Å; G484-R490 WeakPolarHBondContact O-CD 3.5Å; G484-R490 PolarHBondContact O-NE 2.93Å; T487-R490 WeakPolarHBondContact O-CB 3.46Å; T487-R490 PolarHBondContact O-N 3.08Å; P488-R490 PolarHBondContact O-N 3.36Å; R490-R493 PolarHBondContact O-N 3.44Å; R490-I494 HydrophobicContact CG-CD1 3.8Å; R490-I494 VanDerWaalsContact O-CG1 3.28Å; R490-I494 WeakPolarHBondContact O-CG1 3.37Å; R490-I494 PolarHBondContact O-N 3.13Å
491W92.8Very high90.4Very high70 Ų7081.8 Ų81.827%0.26544%0.437SS..Hα-helixtrans-70.6-31.8-177.3-69.3116.2000113.3E489 I494 T495 K503 V506 M507 V510E489-W491 VanDerWaalsContact C-N 3.25Å; E489-W491 PolarHBondContact O-N 3.49Å; E489-W491 VanDerWaalsContact O-N 3.12Å; W491-I494 HydrophobicContact CE3-CD1 3.9Å; W491-I494 HydrophobicContact CZ3-CD1 4.06Å; W491-I494 PolarHBondContact O-N 2.96Å; W491-T495 WeakPolarHBondContact O-CB 3.49Å; W491-T495 PolarHBondContact O-N 2.87Å; W491-T495 PolarHBondContact O-OG1 3.25Å; W491-K503 HydrophobicContact CB-CG 4.3Å; W491-V506 HydrophobicContact CZ3-CG1 4.45Å; W491-M507 HydrophobicContact CB-SD 4.3Å; W491-M507 HydrophobicContact CD2-CG 3.72Å; W491-M507 HydrophobicContact CD2-SD 4.3Å; W491-M507 HydrophobicContact CE3-CG 3.78Å; W491-M507 HydrophobicContact CG-CG 4.07Å; W491-M507 HydrophobicContact CG-SD 4.03Å; W491-M507 HydrophobicContact CZ3-CG 4.24Å; W491-V510 HydrophobicContact CH2-CB 4.1Å; W491-V510 HydrophobicContact CH2-CG1 4.02Å; W491-V510 HydrophobicContact CH2-CG2 4.16Å; W491-V510 HydrophobicContact CZ3-CB 4.48Å; W491-V510 HydrophobicContact CZ3-CG2 4.1Å
492D93.5Very high90.5Very high66 Ų6675.2 Ų75.235%0.35342%0.421SS..Hα-helixtrans-67.5-43.8176.2-60.5-63.1000110.3E489 I494 T495 E496 K503E489-D492 HydrophobicContact CB-CB 4.24Å; E489-D492 PolarHBondContact O-N 2.87Å; D492-I494 PolarHBondContact O-N 3.27Å; D492-T495 WeakPolarHBondContact O-CB 3.38Å; D492-T495 PolarHBondContact O-N 3.26Å; D492-E496 PolarHBondContact O-N 3.35Å; D492-K503 VanDerWaalsContact OD1-CD 3.27Å; D492-K503 WeakPolarHBondContact OD1-CD 3.35Å; D492-K503 VanDerWaalsContact OD1-CE 3.23Å; D492-K503 WeakPolarHBondContact OD1-CE 3.47Å; D492-K503 IonicContact OD1-NZ 3.39Å; D492-K503 PolarHBondContact OD1-NZ 3.33Å; D492-K503 IonicContact OD2-NZ 2.94Å; D492-K503 PolarHBondContact OD2-NZ 3.43Å
493R91.9Very high90.6Very high121 Ų12175 Ų7546%0.45741%0.409SS..Hα-helixtrans-64.2-39.5174.9-65-174.6-174.2-173.21.1113.5I483 E489 R490 T495 E496 C497I483-R493 HydrophobicContact CD1-CB 3.62Å; E489-R493 PolarHBondContact O-N 2.66Å; E489-R493 VanDerWaalsContact O-N 3.14Å; R490-R493 PolarHBondContact O-N 3.44Å; R493-T495 VanDerWaalsContact C-N 3.29Å; R493-T495 PolarHBondContact O-N 2.87Å; R493-E496 PolarHBondContact O-N 2.8Å; R493-C497 PolarHBondContact O-N 3.12Å
494I94.7Very high90.5Very high0 Ų077.5 Ų77.50%043%0.433CS..Hα-helixtrans-63.6-39.7174.9-67.9167.1000110.3L476 A479 I480 I483 R490 W491 D492 E496 C497 V506L476-I494 HydrophobicContact CD1-CG2 3.83Å; A479-I494 HydrophobicContact CB-CG1 4.41Å; A479-I494 HydrophobicContact CB-CG2 4.08Å; I480-I494 HydrophobicContact CG1-CD1 4.28Å; I483-I494 HydrophobicContact CB-CG1 4.38Å; I483-I494 HydrophobicContact CD1-CB 4.44Å; I483-I494 HydrophobicContact CD1-CG1 3.6Å; R490-I494 HydrophobicContact CG-CD1 3.8Å; R490-I494 VanDerWaalsContact O-CG1 3.28Å; R490-I494 WeakPolarHBondContact O-CG1 3.37Å; R490-I494 PolarHBondContact O-N 3.13Å; W491-I494 HydrophobicContact CE3-CD1 3.9Å; W491-I494 HydrophobicContact CZ3-CD1 4.06Å; W491-I494 PolarHBondContact O-N 2.96Å; D492-I494 PolarHBondContact O-N 3.27Å; I494-E496 VanDerWaalsContact C-N 3.33Å; I494-C497 WeakPolarHBondContact O-CB 3.27Å; I494-C497 PolarHBondContact O-N 3.33Å; I494-V506 HydrophobicContact CG2-CG1 3.93Å
495T93.1Very high90.7Very high23 Ų2379.4 Ų79.414%0.14143%0.43CS..Hα-helixtrans-67.6-34.6178.8-50.90000111.4W491 D492 R493 C497 I498 R501 K503W491-T495 WeakPolarHBondContact O-CB 3.49Å; W491-T495 PolarHBondContact O-N 2.87Å; W491-T495 PolarHBondContact O-OG1 3.25Å; D492-T495 WeakPolarHBondContact O-CB 3.38Å; D492-T495 PolarHBondContact O-N 3.26Å; R493-T495 VanDerWaalsContact C-N 3.29Å; R493-T495 PolarHBondContact O-N 2.87Å; T495-C497 PolarHBondContact O-N 3.01Å; T495-I498 CarbonylContact O-C 3.58Å; T495-I498 PolarHBondContact O-N 2.83Å; T495-R501 WeakPolarHBondContact CG2-O 3.5Å; T495-K503 HydrophobicContact CG2-CB 4.25Å; T495-K503 WeakPolarHBondContact OG1-CA 3.43Å
496E91.2Very high91Very high159 Ų15969.9 Ų69.974%0.74339%0.389SS*.Hα-helixtrans-61.5-30.2174.4-166.8173.8-168.800112.7D492 R493 I494 I498D492-E496 PolarHBondContact O-N 3.35Å; R493-E496 PolarHBondContact O-N 2.8Å; I494-E496 VanDerWaalsContact C-N 3.33Å; E496-I498 VanDerWaalsContact C-N 3.26Å; E496-I498 PolarHBondContact O-N 3.14Å
497C90.4Very high91.4Very high60 Ų6070 Ų7041%0.40537%0.37SS..THydrogen-bonded Turntrans-72.3-15.4173.1-61.80000113.9A479 R493 I494 T495A479-C497 HydrophobicContact CB-CB 3.93Å; R493-C497 PolarHBondContact O-N 3.12Å; I494-C497 WeakPolarHBondContact O-CB 3.27Å; I494-C497 PolarHBondContact O-N 3.33Å; T495-C497 PolarHBondContact O-N 3.01Å
498I93Very high91.6Very high0 Ų070.7 Ų70.70%038%0.38CS..  trans-131.775.2-177.7-45.9174.1000109.4W468 E472 Q475 L476 T495 E496 T500 R501W468-I498 HydrophobicContact CH2-CD1 4.27Å; W468-I498 HydrophobicContact CZ3-CD1 4.21Å; E472-I498 HydrophobicContact CG-CG2 4.35Å; Q475-I498 HydrophobicContact CB-CD1 4.43Å; Q475-I498 HydrophobicContact CB-CG1 3.95Å; L476-I498 HydrophobicContact CB-CD1 3.68Å; L476-I498 HydrophobicContact CD1-CD1 3.94Å; L476-I498 HydrophobicContact CG-CD1 4.4Å; T495-I498 CarbonylContact O-C 3.58Å; T495-I498 PolarHBondContact O-N 2.83Å; E496-I498 VanDerWaalsContact C-N 3.26Å; E496-I498 PolarHBondContact O-N 3.14Å; I498-T500 PolarHBondContact O-N 3.35Å; I498-R501 HydrophobicContact CG2-CB 4.14Å; I498-R501 HydrophobicContact CG2-CG 3.98Å; I498-R501 PolarHBondContact O-N 3.02Å; I498-R501 VanDerWaalsContact O-N 3.13Å
499P89.1Confident91.8Very high114 Ų11466.8 Ų66.874%0.7435%0.354SS*.THydrogen-bonded Turntrans-68.6-9-173.628.8-36.1000113.9R501P499-R501 VanDerWaalsContact C-N 3.33Å
500T88.6Confident91.9Very high93 Ų9361.8 Ų61.857%0.57133%0.333SS*.THydrogen-bonded Turntrans-80.2-13.2176.157.20000113.2E472 I498E472-T500 PolarHBondContact OE1-OG1 3Å; I498-T500 PolarHBondContact O-N 3.35Å
501R89.2Confident91.9Very high58 Ų5867.3 Ų67.322%0.21936%0.358CS..SBendtrans-125151.6-175.4-61-60.7175.5153.47.9112G467 W468 E472 T495 I498 P499 E505 V506G467-R501 PolarHBondContact O-NH2 3.46Å; W468-R501 HydrophobicContact CH2-CG 4.43Å; W468-R501 HydrophobicContact CZ2-CG 4.44Å; E472-R501 IonicContact OE1-CZ 3.94Å; E472-R501 IonicContact OE1-NE 3.59Å; E472-R501 PolarHBondContact OE1-NE 3.1Å; E472-R501 IonicContact OE1-NH2 3.67Å; E472-R501 PolarHBondContact OE1-NH2 2.96Å; E472-R501 IonicContact OE2-CZ 2.93Å; E472-R501 IonicContact OE2-NE 3.76Å; E472-R501 IonicContact OE2-NH2 3.4Å; E472-R501 PolarHBondContact OE2-NH2 3.47Å; T495-R501 WeakPolarHBondContact CG2-O 3.5Å; I498-R501 HydrophobicContact CG2-CB 4.14Å; I498-R501 HydrophobicContact CG2-CG 3.98Å; I498-R501 PolarHBondContact O-N 3.02Å; I498-R501 VanDerWaalsContact O-N 3.13Å; P499-R501 VanDerWaalsContact C-N 3.33Å; R501-E505 WeakPolarHBondContact CA-OE2 3.41Å; R501-V506 HydrophobicContact CB-CG2 3.9Å
502T92.8Very high91.8Very high78 Ų7868.3 Ų68.348%0.47936%0.362SS..  trans-85.7157.3175.666.50000111.3A504 E505 V506T502-A504 PolarHBondContact O-N 2.94Å; T502-E505 PolarHBondContact N-OE2 2.69Å; T502-E505 PolarHBondContact O-N 2.87Å; T502-E505 VanDerWaalsContact O-N 3.09Å; T502-E505 VanDerWaalsContact OG1-CG 3.31Å; T502-E505 WeakPolarHBondContact OG1-CG 3.42Å; T502-E505 PolarHBondContact OG1-N 3.45Å; T502-E505 PolarHBondContact OG1-OE2 3.46Å; T502-V506 WeakPolarHBondContact O-CG2 3.3Å; T502-V506 PolarHBondContact O-N 3.32Å
503K92.4Very high91.6Very high80 Ų8067.9 Ų67.935%0.34836%0.359SS..Hα-helixtrans-51.9-40.5176.8-176.1-175.2-172.1167.70112.5W491 D492 T495 M507W491-K503 HydrophobicContact CB-CG 4.3Å; D492-K503 VanDerWaalsContact OD1-CD 3.27Å; D492-K503 WeakPolarHBondContact OD1-CD 3.35Å; D492-K503 VanDerWaalsContact OD1-CE 3.23Å; D492-K503 WeakPolarHBondContact OD1-CE 3.47Å; D492-K503 IonicContact OD1-NZ 3.39Å; D492-K503 PolarHBondContact OD1-NZ 3.33Å; D492-K503 IonicContact OD2-NZ 2.94Å; D492-K503 PolarHBondContact OD2-NZ 3.43Å; T495-K503 HydrophobicContact CG2-CB 4.25Å; T495-K503 WeakPolarHBondContact OG1-CA 3.43Å; K503-M507 HydrophobicContact CG-SD 4.06Å; K503-M507 WeakPolarHBondContact O-CB 3.43Å; K503-M507 VanDerWaalsContact O-CG 3.24Å; K503-M507 WeakPolarHBondContact O-CG 3.28Å; K503-M507 PolarHBondContact O-N 2.85Å; K503-M507 VanDerWaalsContact O-N 3.07Å
504A91.2Very high91.4Very high72 Ų7264.8 Ų64.860%0.59536%0.356SS*.Hα-helixtrans-65.7-42.9179.500000112.4T502 M507 A508T502-A504 PolarHBondContact O-N 2.94Å; A504-M507 PolarHBondContact O-N 3.32Å; A504-A508 WeakPolarHBondContact O-CB 3.34Å; A504-A508 PolarHBondContact O-N 3.47Å
505E92.4Very high91.2Very high82 Ų8267.4 Ų67.438%0.38337%0.372SS..Hα-helixtrans-66.1-42.9178.1-70169.1157.200112R501 T502 A508 H509R501-E505 WeakPolarHBondContact CA-OE2 3.41Å; T502-E505 PolarHBondContact N-OE2 2.69Å; T502-E505 PolarHBondContact O-N 2.87Å; T502-E505 VanDerWaalsContact O-N 3.09Å; T502-E505 VanDerWaalsContact OG1-CG 3.31Å; T502-E505 WeakPolarHBondContact OG1-CG 3.42Å; T502-E505 PolarHBondContact OG1-N 3.45Å; T502-E505 PolarHBondContact OG1-OE2 3.46Å; E505-A508 PolarHBondContact O-N 3.2Å; E505-H509 WeakPolarHBondContact O-CB 3.39Å; E505-H509 PolarHBondContact O-N 3.03Å
506V93.5Very high90.9Very high0 Ų069.5 Ų69.50%038%0.382CS..Hα-helixtrans-61.4-45.9176.8175.10000110.7W468 L476 W491 I494 R501 T502 H509 V510W468-V506 HydrophobicContact CH2-CG2 4.22Å; L476-V506 HydrophobicContact CD1-CG1 3.64Å; W491-V506 HydrophobicContact CZ3-CG1 4.45Å; I494-V506 HydrophobicContact CG2-CG1 3.93Å; R501-V506 HydrophobicContact CB-CG2 3.9Å; T502-V506 WeakPolarHBondContact O-CG2 3.3Å; T502-V506 PolarHBondContact O-N 3.32Å; V506-H509 PolarHBondContact O-N 2.9Å; V506-V510 WeakPolarHBondContact O-CG2 3.38Å; V506-V510 PolarHBondContact O-N 3.39Å
507M92.5Very high90.7Very high79 Ų7966.2 Ų66.239%0.38937%0.373SS..Hα-helixtrans-64.3-42177.4-72.3177.367.800112.2W491 K503 A504 H509 V510 K511W491-M507 HydrophobicContact CB-SD 4.3Å; W491-M507 HydrophobicContact CD2-CG 3.72Å; W491-M507 HydrophobicContact CD2-SD 4.3Å; W491-M507 HydrophobicContact CE3-CG 3.78Å; W491-M507 HydrophobicContact CG-CG 4.07Å; W491-M507 HydrophobicContact CG-SD 4.03Å; W491-M507 HydrophobicContact CZ3-CG 4.24Å; K503-M507 HydrophobicContact CG-SD 4.06Å; K503-M507 WeakPolarHBondContact O-CB 3.43Å; K503-M507 VanDerWaalsContact O-CG 3.24Å; K503-M507 WeakPolarHBondContact O-CG 3.28Å; K503-M507 PolarHBondContact O-N 2.85Å; K503-M507 VanDerWaalsContact O-N 3.07Å; A504-M507 PolarHBondContact O-N 3.32Å; M507-H509 VanDerWaalsContact C-N 3.34Å; M507-V510 PolarHBondContact O-N 3.24Å; M507-K511 WeakPolarHBondContact O-CB 3.32Å; M507-K511 PolarHBondContact O-N 2.94Å
508A91.9Very high90.5Very high59 Ų5970.1 Ų70.149%0.48839%0.385SS..Hα-helixtrans-62.2-41.4176.600000111.7A504 E505 K511 Y512A504-A508 WeakPolarHBondContact O-CB 3.34Å; A504-A508 PolarHBondContact O-N 3.47Å; E505-A508 PolarHBondContact O-N 3.2Å; A508-K511 PolarHBondContact O-N 3.44Å; A508-Y512 WeakPolarHBondContact O-CB 3.49Å; A508-Y512 PolarHBondContact O-N 3.39Å
509H92.1Very high90.1Very high15 Ų1577.6 Ų77.67%0.06942%0.42CS..Hα-helixtrans-65.4-44.9178.3-169.853.9000112.5W468 Q473 E505 V506 M507 K511 Y512 L513W468-H509 AromaticContact CD1-CE1 3.67Å; W468-H509 AromaticContact CD1-CG 3.95Å; W468-H509 AromaticContact CD1-ND1 3.68Å; W468-H509 AromaticContact CD1-NE2 3.96Å; W468-H509 AromaticContact CD2-CD2 3.5Å; W468-H509 VanDerWaalsContact CD2-CD2 3.5Å; W468-H509 AromaticContact CD2-CG 3.97Å; W468-H509 AromaticContact CD2-NE2 3.56Å; W468-H509 AromaticContact CE2-CD2 3.3Å; W468-H509 AromaticContact CE2-CG 3.38Å; W468-H509 AromaticContact CE2-ND1 3.95Å; W468-H509 AromaticContact CE2-NE2 3.81Å; W468-H509 AromaticContact CE3-CD2 3.84Å; W468-H509 AromaticContact CE3-NE2 3.96Å; W468-H509 AromaticContact CG-CE1 3.81Å; W468-H509 AromaticContact CG-NE2 3.72Å; W468-H509 HydrophobicContact CH2-CB 4.42Å; W468-H509 AromaticContact CH2-CD2 3.87Å; W468-H509 HydrophobicContact CZ2-CB 3.51Å; W468-H509 AromaticContact CZ2-CD2 3.51Å; W468-H509 AromaticContact CZ2-CG 3.64Å; W468-H509 AromaticContact NE1-CD2 3.71Å; W468-H509 AromaticContact NE1-CE1 3.88Å; W468-H509 AromaticContact NE1-CG 3.36Å; W468-H509 AromaticContact NE1-ND1 3.5Å; Q473-H509 PolarHBondContact OE1-NE2 3.44Å; E505-H509 WeakPolarHBondContact O-CB 3.39Å; E505-H509 PolarHBondContact O-N 3.03Å; V506-H509 PolarHBondContact O-N 2.9Å; M507-H509 VanDerWaalsContact C-N 3.34Å; H509-K511 VanDerWaalsContact C-N 3.28Å; H509-K511 PolarHBondContact O-N 2.66Å; H509-Y512 WeakPolarHBondContact O-CB 3.5Å; H509-Y512 PolarHBondContact O-N 3.03Å; H509-L513 WeakPolarHBondContact O-CG 3.32Å; H509-L513 PolarHBondContact O-N 2.9Å
510V91.9Very high89.6Confident35 Ų3581.2 Ų81.221%0.21242%0.424CS..Hα-helixtrans-62.7-37.9175.6176.60000111.3L476 I480 W491 V506 M507 L513 S514L476-V510 HydrophobicContact CD1-CG2 4.22Å; L476-V510 HydrophobicContact CD2-CG2 4.05Å; I480-V510 HydrophobicContact CD1-CG2 3.77Å; W491-V510 HydrophobicContact CH2-CB 4.1Å; W491-V510 HydrophobicContact CH2-CG1 4.02Å; W491-V510 HydrophobicContact CH2-CG2 4.16Å; W491-V510 HydrophobicContact CZ3-CB 4.48Å; W491-V510 HydrophobicContact CZ3-CG2 4.1Å; V506-V510 WeakPolarHBondContact O-CG2 3.38Å; V506-V510 PolarHBondContact O-N 3.39Å; M507-V510 PolarHBondContact O-N 3.24Å; V510-L513 PolarHBondContact O-N 2.86Å; V510-S514 WeakPolarHBondContact O-CB 3.41Å; V510-S514 PolarHBondContact O-N 3.27Å
511K92.4Very high88.2Confident150 Ų15087.1 Ų87.165%0.65245%0.445SS*.Hα-helixtrans-63.8-45.6174.8-168.8177.8-179.4-177.30111.1M507 A508 H509 S514 T515M507-K511 WeakPolarHBondContact O-CB 3.32Å; M507-K511 PolarHBondContact O-N 2.94Å; A508-K511 PolarHBondContact O-N 3.44Å; H509-K511 VanDerWaalsContact C-N 3.28Å; H509-K511 PolarHBondContact O-N 2.66Å; K511-S514 PolarHBondContact O-N 3.17Å; K511-S514 PolarHBondContact O-OG 2.9Å; K511-T515 PolarHBondContact O-N 3.19Å; K511-T515 PolarHBondContact O-OG1 3.33Å
512Y90.3Very high88.2Confident90 Ų9088.6 Ų88.635%0.35346%0.456SS..Hα-helixtrans-59.3-47175.6172.1-109.8000112.4D466 A508 H509 S514 T515 L516D466-Y512 PolarHBondContact OD1-OH 3.39Å; D466-Y512 WeakPolarHBondContact OD2-CE1 3.36Å; D466-Y512 PolarHBondContact OD2-OH 3.09Å; A508-Y512 WeakPolarHBondContact O-CB 3.49Å; A508-Y512 PolarHBondContact O-N 3.39Å; H509-Y512 WeakPolarHBondContact O-CB 3.5Å; H509-Y512 PolarHBondContact O-N 3.03Å; Y512-S514 VanDerWaalsContact C-N 3.29Å; Y512-S514 PolarHBondContact O-N 3.07Å; Y512-T515 WeakPolarHBondContact CA-OG1 3.39Å; Y512-T515 PolarHBondContact O-N 3.03Å; Y512-T515 VanDerWaalsContact O-N 3.1Å; Y512-T515 PolarHBondContact O-OG1 3.44Å; Y512-L516 HydrophobicContact CD1-CD1 4.12Å; Y512-L516 HydrophobicContact CD2-CG 4.5Å; Y512-L516 HydrophobicContact CE1-CD1 3.51Å; Y512-L516 HydrophobicContact CE1-CG 4.26Å; Y512-L516 HydrophobicContact CE2-CD1 4.18Å; Y512-L516 HydrophobicContact CE2-CD2 4.24Å; Y512-L516 HydrophobicContact CE2-CG 4.1Å; Y512-L516 PolarHBondContact O-N 2.87Å
513L89.5Confident87.9Confident58 Ų5889.1 Ų89.130%0.30446%0.455SS..Hα-helixtrans-59.3-40174.5-68.8175.9000111.8H509 V510 T515 L516 V517H509-L513 WeakPolarHBondContact O-CG 3.32Å; H509-L513 PolarHBondContact O-N 2.9Å; V510-L513 PolarHBondContact O-N 2.86Å; L513-T515 VanDerWaalsContact C-N 3.34Å; L513-T515 PolarHBondContact O-N 3.15Å; L513-L516 PolarHBondContact O-N 2.98Å; L513-V517 WeakPolarHBondContact O-CG2 3.3Å; L513-V517 PolarHBondContact O-N 3.34Å
514S88.2Confident87.7Confident56 Ų5689.6 Ų89.639%0.39246%0.461SS..Hα-helixtrans-64.6-36.7175.876.10000112.7V510 K511 Y512 V517 Q518V510-S514 WeakPolarHBondContact O-CB 3.41Å; V510-S514 PolarHBondContact O-N 3.27Å; K511-S514 PolarHBondContact O-N 3.17Å; K511-S514 PolarHBondContact O-OG 2.9Å; Y512-S514 VanDerWaalsContact C-N 3.29Å; Y512-S514 PolarHBondContact O-N 3.07Å; S514-V517 PolarHBondContact O-N 3.41Å; S514-Q518 WeakPolarHBondContact O-CG 3.47Å; S514-Q518 PolarHBondContact O-N 3.45Å
515T89.7Confident87.5Confident54 Ų5490.6 Ų90.633%0.33145%0.453SS..Hα-helixtrans-70.8-36.7176.253.20000112.5K511 Y512 L513 Q518 Q519K511-T515 PolarHBondContact O-N 3.19Å; K511-T515 PolarHBondContact O-OG1 3.33Å; Y512-T515 WeakPolarHBondContact CA-OG1 3.39Å; Y512-T515 PolarHBondContact O-N 3.03Å; Y512-T515 VanDerWaalsContact O-N 3.1Å; Y512-T515 PolarHBondContact O-OG1 3.44Å; L513-T515 VanDerWaalsContact C-N 3.34Å; L513-T515 PolarHBondContact O-N 3.15Å; T515-Q518 PolarHBondContact O-N 3.41Å; T515-Q519 WeakPolarHBondContact O-CG 3.4Å; T515-Q519 PolarHBondContact O-N 2.91Å
516L86.8Confident87.2Confident67 Ų6791.2 Ų91.235%0.35146%0.457SS..Hα-helixtrans-65.3-40.1174.4-73.3-179.7000111.9Y512 L513 Q518 Q519 K520Y512-L516 HydrophobicContact CD1-CD1 4.12Å; Y512-L516 HydrophobicContact CD2-CG 4.5Å; Y512-L516 HydrophobicContact CE1-CD1 3.51Å; Y512-L516 HydrophobicContact CE1-CG 4.26Å; Y512-L516 HydrophobicContact CE2-CD1 4.18Å; Y512-L516 HydrophobicContact CE2-CD2 4.24Å; Y512-L516 HydrophobicContact CE2-CG 4.1Å; Y512-L516 PolarHBondContact O-N 2.87Å; L513-L516 PolarHBondContact O-N 2.98Å; L516-Q518 VanDerWaalsContact C-N 3.32Å; L516-Q519 PolarHBondContact O-N 3.31Å; L516-K520 PolarHBondContact O-N 3Å
517V87.5Confident86.7Confident91 Ų9197.3 Ų97.355%0.55249%0.488SS*.Hα-helixtrans-64.7-39.2174.9172.20000110.8L513 S514 K520L513-V517 WeakPolarHBondContact O-CG2 3.3Å; L513-V517 PolarHBondContact O-N 3.34Å; S514-V517 PolarHBondContact O-N 3.41Å; V517-K520 PolarHBondContact O-N 2.8Å
518Q86.5Confident86.3Confident141 Ų14198.6 Ų98.666%0.65950%0.495SS*.Hα-helixtrans-68.1-34.7175.6-77.5177.9-13.200113.5S514 T515 L516 K520 H521S514-Q518 WeakPolarHBondContact O-CG 3.47Å; S514-Q518 PolarHBondContact O-N 3.45Å; T515-Q518 PolarHBondContact O-N 3.41Å; L516-Q518 VanDerWaalsContact C-N 3.32Å; Q518-K520 VanDerWaalsContact C-N 3.28Å; Q518-K520 PolarHBondContact O-N 3.3Å; Q518-H521 VanDerWaalsContact O-OXT 3.08Å
519Q83.3Confident85.9Confident157 Ų157101.6 Ų101.673%0.73450%0.495SS*.Hα-helixtrans-73.3-19.3176.5-77.4-177.7-12.500113.7T515 L516T515-Q519 WeakPolarHBondContact O-CG 3.4Å; T515-Q519 PolarHBondContact O-N 2.91Å; L516-Q519 PolarHBondContact O-N 3.31Å
520K79.3Confident85.4Confident190 Ų190108.8 Ų108.883%0.82653%0.531SS*.Hα-helixtrans-86.4-17.6-179.6-165.2175.9179.1-178.10113L516 V517 Q518L516-K520 PolarHBondContact O-N 3Å; V517-K520 PolarHBondContact O-N 2.8Å; Q518-K520 VanDerWaalsContact C-N 3.28Å; Q518-K520 PolarHBondContact O-N 3.3Å
521H59.3Low84.8Confident217 Ų217115.5 Ų115.5100%1.00556%0.56SS**  trans-95.50171.3-83.9-75.6000109.8Q518Q518-H521 VanDerWaalsContact O-OXT 3.08Å

Retrieved 521 of 521 residues in 214 ms (Link to these results)

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