A0A077YZ51_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZ51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 337 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
1M59Low78.8Confident228 Ų228112.7 Ų112.7100%1.12361%0.611SS**  010.50-74.6-169.6-178.500113.5
2T71.1Confident79.6Confident111 Ų111111.7 Ų111.768%0.68160%0.604SS**  trans-96.2-40.7-166.838.40000113.9E6T2-E6 WeakPolarHBondContact O-CG 3.33Å; T2-E6 PolarHBondContact O-N 2.93Å
3L76.8Confident79.8Confident125 Ų125107.5 Ų107.565%0.65459%0.593SS**Hα-helixtrans-73.9-38.9-173.9-144.1126.9000114F5 E6 I7L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 2.87Å; L3-E6 PolarHBondContact O-N 2.95Å; L3-I7 HydrophobicContact CD2-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3.47Å; L3-I7 VanDerWaalsContact O-N 3.13Å
4A79.4Confident79.9Confident66 Ų66111.8 Ų111.855%0.54560%0.596SS.*Hα-helixtrans-66.6-35.6178.400000112.3I8A4-I8 WeakPolarHBondContact O-CD1 3.47Å; A4-I8 VanDerWaalsContact O-CG1 3.26Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.1Å; A4-I8 VanDerWaalsContact O-N 3.13Å
5F82.8Confident80.2Confident142 Ų142107.9 Ų107.962%0.62358%0.582SS**Hα-helixtrans-68.1-41.5177.1-175-98.8000111.3L3 I8 V9L3-F5 VanDerWaalsContact C-N 3.33Å; L3-F5 PolarHBondContact O-N 2.87Å; F5-I8 PolarHBondContact O-N 2.93Å; F5-V9 HydrophobicContact CD1-CG2 4.17Å; F5-V9 HydrophobicContact CE1-CG2 3.84Å; F5-V9 HydrophobicContact CZ-CG2 4.1Å; F5-V9 WeakPolarHBondContact O-CG2 3.33Å; F5-V9 PolarHBondContact O-N 3.05Å
6E79.1Confident80.4Confident120 Ų120108.5 Ų108.556%0.56158%0.584SS**Hα-helixtrans-61.4-43.9175.6-72.9173.3-176.200112.2T2 L3 I8 V9 V10T2-E6 WeakPolarHBondContact O-CG 3.33Å; T2-E6 PolarHBondContact O-N 2.93Å; L3-E6 PolarHBondContact O-N 2.95Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.03Å; E6-V9 PolarHBondContact O-N 3.12Å; E6-V10 WeakPolarHBondContact O-CG2 3.49Å; E6-V10 PolarHBondContact O-N 3.33Å
7I83Confident80.1Confident98 Ų98109.8 Ų109.850%0.50358%0.58SS.*Hα-helixtrans-60.4-45.1176.1-66.6168.2000110.8L3 V9 V10 V11L3-I7 HydrophobicContact CD2-CD1 3.96Å; L3-I7 WeakPolarHBondContact O-CG1 3.27Å; L3-I7 PolarHBondContact O-N 3.47Å; L3-I7 VanDerWaalsContact O-N 3.13Å; I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.27Å; I7-V10 PolarHBondContact O-N 3.38Å; I7-V11 HydrophobicContact CG2-CG2 4.29Å; I7-V11 VanDerWaalsContact O-CG2 3.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.02Å; I7-V11 PolarHBondContact O-N 2.8Å
8I86.7Confident79.7Confident99 Ų99106.4 Ų106.451%0.50856%0.561SS.*Hα-helixtrans-60.4-43.5178.1-69.6163.4000110.7A4 F5 E6 V11 L12A4-I8 WeakPolarHBondContact O-CD1 3.47Å; A4-I8 VanDerWaalsContact O-CG1 3.26Å; A4-I8 WeakPolarHBondContact O-CG1 3.37Å; A4-I8 PolarHBondContact O-N 3.1Å; A4-I8 VanDerWaalsContact O-N 3.13Å; F5-I8 PolarHBondContact O-N 2.93Å; E6-I8 VanDerWaalsContact C-N 3.35Å; E6-I8 PolarHBondContact O-N 3.03Å; I8-V11 PolarHBondContact O-N 2.67Å; I8-L12 HydrophobicContact CG2-CD1 3.85Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 VanDerWaalsContact O-CG 3.26Å; I8-L12 WeakPolarHBondContact O-CG 3.41Å; I8-L12 PolarHBondContact O-N 2.93Å
9V84.1Confident79.5Confident71 Ų71106.6 Ų106.643%0.4356%0.562SS.*Hα-helixtrans-64.3-43.4178.4172.40000111.6F5 E6 I7 L12 A13F5-V9 HydrophobicContact CD1-CG2 4.17Å; F5-V9 HydrophobicContact CE1-CG2 3.84Å; F5-V9 HydrophobicContact CZ-CG2 4.1Å; F5-V9 WeakPolarHBondContact O-CG2 3.33Å; F5-V9 PolarHBondContact O-N 3.05Å; E6-V9 PolarHBondContact O-N 3.12Å; I7-V9 VanDerWaalsContact C-N 3.32Å; I7-V9 PolarHBondContact O-N 3.27Å; V9-L12 PolarHBondContact O-N 3.04Å; V9-A13 WeakPolarHBondContact O-CB 3.41Å; V9-A13 PolarHBondContact O-N 3.39Å
10V80.1Confident79.2Confident96 Ų96107.5 Ų107.558%0.58256%0.561SS**Hα-helixtrans-64-44.6178.3172.70000111.2E6 I7 L12 A13 W14E6-V10 WeakPolarHBondContact O-CG2 3.49Å; E6-V10 PolarHBondContact O-N 3.33Å; I7-V10 PolarHBondContact O-N 3.38Å; V10-L12 PolarHBondContact O-N 3.31Å; V10-A13 PolarHBondContact O-N 3.37Å; V10-W14 WeakPolarHBondContact O-CB 3.49Å; V10-W14 PolarHBondContact O-N 3.46Å
11V84.4Confident78.7Confident84 Ų84105.4 Ų105.451%0.50955%0.548SS..Hα-helixtrans-63.4-41.6178.2172.50000111.3I7 I8 W14 S15I7-V11 HydrophobicContact CG2-CG2 4.29Å; I7-V11 VanDerWaalsContact O-CG2 3.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.02Å; I7-V11 PolarHBondContact O-N 2.8Å; I8-V11 PolarHBondContact O-N 2.67Å; V11-W14 PolarHBondContact O-N 3.11Å; V11-S15 WeakPolarHBondContact O-CB 2.91Å; V11-S15 PolarHBondContact O-N 3.29Å; V11-S15 PolarHBondContact O-OG 3.12Å
12L88.3Confident79.1Confident100 Ų10098.9 Ų98.952%0.52452%0.516SS..Hα-helixtrans-65.2-43.5175.6-73.5171.3000111.9I8 V9 V10 W14 S15 L16I8-L12 HydrophobicContact CG2-CD1 3.85Å; I8-L12 HydrophobicContact CG2-CG 4.44Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 VanDerWaalsContact O-CG 3.26Å; I8-L12 WeakPolarHBondContact O-CG 3.41Å; I8-L12 PolarHBondContact O-N 2.93Å; V9-L12 PolarHBondContact O-N 3.04Å; V10-L12 PolarHBondContact O-N 3.31Å; L12-W14 PolarHBondContact O-N 2.8Å; L12-S15 PolarHBondContact O-N 2.99Å; L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.3Å
13A83.2Confident79.1Confident57 Ų57104.1 Ų104.147%0.47152%0.524SS..Hα-helixtrans-62.9-42.2177.300000111.9V9 V10 L16 Y17V9-A13 WeakPolarHBondContact O-CB 3.41Å; V9-A13 PolarHBondContact O-N 3.39Å; V10-A13 PolarHBondContact O-N 3.37Å; A13-L16 PolarHBondContact O-N 3.13Å; A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 PolarHBondContact O-N 2.99Å
14W80.4Confident78.5Confident168 Ų168102.6 Ų102.664%0.63652%0.516SS*.Hα-helixtrans-66.6-40.9177.6-147.482.1000111.7V10 V11 L12 Y17 I18V10-W14 WeakPolarHBondContact O-CB 3.49Å; V10-W14 PolarHBondContact O-N 3.46Å; V11-W14 PolarHBondContact O-N 3.11Å; L12-W14 PolarHBondContact O-N 2.8Å; W14-Y17 PolarHBondContact O-N 3.3Å; W14-I18 HydrophobicContact CD2-CD1 4.15Å; W14-I18 HydrophobicContact CE3-CD1 3.24Å; W14-I18 HydrophobicContact CE3-CG1 4.02Å; W14-I18 HydrophobicContact CH2-CD1 3.83Å; W14-I18 HydrophobicContact CH2-CG1 4.36Å; W14-I18 HydrophobicContact CZ3-CD1 3.06Å; W14-I18 HydrophobicContact CZ3-CG1 3.97Å; W14-I18 WeakPolarHBondContact O-CG1 3.11Å; W14-I18 PolarHBondContact O-N 2.82Å
15S84.4Confident76.6Confident54 Ų54102 Ų10238%0.37852%0.517SS..Hα-helixtrans-62.8-43.2175.4-58.10000112.1V11 L12 I18 L19V11-S15 WeakPolarHBondContact O-CB 2.91Å; V11-S15 PolarHBondContact O-N 3.29Å; V11-S15 PolarHBondContact O-OG 3.12Å; L12-S15 PolarHBondContact O-N 2.99Å; S15-I18 PolarHBondContact O-N 3.27Å; S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.33Å
16L82.9Confident74.5Confident117 Ų11798.3 Ų98.361%0.61351%0.508SS*.Hα-helixtrans-65.9-38.3175.3-73.3170.4000112.1L12 A13 L19 F20L12-L16 WeakPolarHBondContact O-CB 3.42Å; L12-L16 WeakPolarHBondContact O-CG 3.31Å; L12-L16 PolarHBondContact O-N 3.3Å; A13-L16 PolarHBondContact O-N 3.13Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-F20 WeakPolarHBondContact O-CB 3.34Å; L16-F20 PolarHBondContact O-N 2.92Å
17Y76.5Confident72.1Confident131 Ų13199.8 Ų99.851%0.51451%0.509SS..Hα-helixtrans-64-44.5176.1176.2-104.3000112.2A13 W14 F20 K21A13-Y17 WeakPolarHBondContact O-CB 3.49Å; A13-Y17 PolarHBondContact O-N 2.99Å; W14-Y17 PolarHBondContact O-N 3.3Å; Y17-F20 PolarHBondContact O-N 2.99Å; Y17-K21 HydrophobicContact CD1-CG 4.43Å; Y17-K21 HydrophobicContact CE1-CG 4.06Å; Y17-K21 HydrophobicContact CE2-CG 4.16Å; Y17-K21 VanDerWaalsContact CZ-CE 3.45Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 WeakPolarHBondContact O-CG 3.25Å; Y17-K21 PolarHBondContact O-N 3.2Å; Y17-K21 WeakPolarHBondContact OH-CE 3.34Å
18I72.6Confident69.6Low48 Ų48103.6 Ų103.625%0.24652%0.522CS..Hα-helixtrans-61.7-47.9174-65.5166.6000110.7W14 S15 F20 K21 I22W14-I18 HydrophobicContact CD2-CD1 4.15Å; W14-I18 HydrophobicContact CE3-CD1 3.24Å; W14-I18 HydrophobicContact CE3-CG1 4.02Å; W14-I18 HydrophobicContact CH2-CD1 3.83Å; W14-I18 HydrophobicContact CH2-CG1 4.36Å; W14-I18 HydrophobicContact CZ3-CD1 3.06Å; W14-I18 HydrophobicContact CZ3-CG1 3.97Å; W14-I18 WeakPolarHBondContact O-CG1 3.11Å; W14-I18 PolarHBondContact O-N 2.82Å; S15-I18 PolarHBondContact O-N 3.27Å; I18-F20 VanDerWaalsContact C-N 3.26Å; I18-F20 PolarHBondContact O-N 3.07Å; I18-K21 PolarHBondContact O-N 2.98Å; I18-K21 VanDerWaalsContact O-N 3.1Å; I18-I22 HydrophobicContact CG2-CD1 3.52Å; I18-I22 HydrophobicContact CG2-CG1 4.07Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.21Å
19L76.2Confident66.8Low110 Ų110103.4 Ų103.458%0.57653%0.527SS*.Hα-helixtrans-57.9-40.8178.3-78.3166.1000111.7S15 L16 R23S15-L19 WeakPolarHBondContact O-CB 3.37Å; S15-L19 WeakPolarHBondContact O-CG 3.41Å; S15-L19 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.39Å; L19-R23 WeakPolarHBondContact O-CB 3.36Å; L19-R23 PolarHBondContact O-N 3.24Å
20F73.2Confident64Low125 Ų125108.5 Ų108.555%0.54854%0.544SS..Hα-helixtrans-64.1-44.4174.3-180-94.5000112.1L16 Y17 I18 R23 N24L16-F20 WeakPolarHBondContact O-CB 3.34Å; L16-F20 PolarHBondContact O-N 2.92Å; Y17-F20 PolarHBondContact O-N 2.99Å; I18-F20 VanDerWaalsContact C-N 3.26Å; I18-F20 PolarHBondContact O-N 3.07Å; F20-R23 PolarHBondContact O-N 3.1Å; F20-N24 WeakPolarHBondContact CD2-ND2 3.44Å; F20-N24 VanDerWaalsContact CE1-ND2 3.32Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.26Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.39Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.48Å; F20-N24 WeakPolarHBondContact O-CB 3.24Å; F20-N24 PolarHBondContact O-N 3.45Å
21K69.1Low61.4Low64 Ų64110.2 Ų110.228%0.27856%0.555SS.*Hα-helixtrans-63.5-41.9178.4-78.5-68.7-167.11780112.6Y17 I18 S26 W27Y17-K21 HydrophobicContact CD1-CG 4.43Å; Y17-K21 HydrophobicContact CE1-CG 4.06Å; Y17-K21 HydrophobicContact CE2-CG 4.16Å; Y17-K21 VanDerWaalsContact CZ-CE 3.45Å; Y17-K21 WeakPolarHBondContact O-CB 3.37Å; Y17-K21 WeakPolarHBondContact O-CG 3.25Å; Y17-K21 PolarHBondContact O-N 3.2Å; Y17-K21 WeakPolarHBondContact OH-CE 3.34Å; I18-K21 PolarHBondContact O-N 2.98Å; I18-K21 VanDerWaalsContact O-N 3.1Å; K21-S26 WeakPolarHBondContact CA-OG 3.33Å; K21-S26 WeakPolarHBondContact CD-OG 3.09Å; K21-S26 PolarHBondContact O-N 3.17Å; K21-S26 PolarHBondContact O-OG 2.97Å; K21-W27 HydrophobicContact CB-CB 4.09Å; K21-W27 HydrophobicContact CB-CG 4.39Å; K21-W27 PolarHBondContact O-N 3.2Å; K21-W27 VanDerWaalsContact O-N 3.12Å
22I66.5Low58.6Low91 Ų91112.7 Ų112.747%0.46757%0.57SS.*Hα-helixtrans-65.6-49.4174.9-66.8172.5000110.2I18 N24 G25 W27I18-I22 HydrophobicContact CG2-CD1 3.52Å; I18-I22 HydrophobicContact CG2-CG1 4.07Å; I18-I22 WeakPolarHBondContact O-CG1 3.44Å; I18-I22 PolarHBondContact O-N 3.21Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.3Å; I22-G25 PolarHBondContact O-N 3Å; I22-W27 HydrophobicContact CD1-CE3 4.46Å; I22-W27 HydrophobicContact CG1-CB 4.37Å; I22-W27 HydrophobicContact CG1-CE3 4.04Å
23R70.4Confident55.5Low220 Ų220110.2 Ų110.283%0.8357%0.569SS**Hα-helixtrans-66.1-33.3-176.4-171.3174177.2160.2-0113.3L19 F20 G25L19-R23 WeakPolarHBondContact O-CB 3.36Å; L19-R23 PolarHBondContact O-N 3.24Å; F20-R23 PolarHBondContact O-N 3.1Å; R23-G25 VanDerWaalsContact C-N 3.3Å; R23-G25 PolarHBondContact O-N 3.34Å
24N65Low52.8Low93 Ų93113.2 Ų113.250%0.49758%0.583SS.*THydrogen-bonded Turntrans-89.613.7179.2-70.1-16.2000113.8F20 I22 S26F20-N24 WeakPolarHBondContact CD2-ND2 3.44Å; F20-N24 VanDerWaalsContact CE1-ND2 3.32Å; F20-N24 WeakPolarHBondContact CE1-ND2 3.26Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.39Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.48Å; F20-N24 WeakPolarHBondContact O-CB 3.24Å; F20-N24 PolarHBondContact O-N 3.45Å; I22-N24 VanDerWaalsContact C-N 3.34Å; I22-N24 PolarHBondContact O-N 3.3Å; N24-S26 PolarHBondContact O-N 3.09Å
25G38.9Very low50.1Low55 Ų55114.5 Ų114.557%0.56760%0.596SS**THydrogen-bonded Turntrans66.25.4174.800000115.1I22 R23 W27I22-G25 PolarHBondContact O-N 3Å; R23-G25 VanDerWaalsContact C-N 3.3Å; R23-G25 PolarHBondContact O-N 3.34Å; G25-W27 VanDerWaalsContact C-N 3.27Å
26S39.8Very low47.2Very low63 Ų63120 Ų12044%0.44162%0.616SS.*  trans-82.3-7.8179.165.20000113.3K21 N24K21-S26 WeakPolarHBondContact CA-OG 3.33Å; K21-S26 WeakPolarHBondContact CD-OG 3.09Å; K21-S26 PolarHBondContact O-N 3.17Å; K21-S26 PolarHBondContact O-OG 2.97Å; N24-S26 PolarHBondContact O-N 3.09Å
27W27.7Very low44.3Very low151 Ų151122.7 Ų122.757%0.57263%0.625SS**  trans-118.396.6171.3-133.458.9000108.5K21 I22 G25K21-W27 HydrophobicContact CB-CB 4.09Å; K21-W27 HydrophobicContact CB-CG 4.39Å; K21-W27 PolarHBondContact O-N 3.2Å; K21-W27 VanDerWaalsContact O-N 3.12Å; I22-W27 HydrophobicContact CD1-CE3 4.46Å; I22-W27 HydrophobicContact CG1-CB 4.37Å; I22-W27 HydrophobicContact CG1-CE3 4.04Å; G25-W27 VanDerWaalsContact C-N 3.27Å
28K30.7Very low41.7Very low178 Ų178127.4 Ų127.477%0.77464%0.642SS**  trans-80120.5159.3-73.7-177178.9179.30106.1F30K28-F30 PolarHBondContact O-N 2.79Å; K28-F30 VanDerWaalsContact O-N 3.1Å
29P28.2Very low39.4Very low95 Ų95130.8 Ų130.862%0.61767%0.669SS**  trans-57.3121.7169.323.8-29.8000106.9T31P29-T31 PolarHBondContact O-N 3.07Å
30F25.9Very low37Very low178 Ų178135.4 Ų135.478%0.78168%0.679SS**  trans-60.8106.3164.8-84.1-92.9000105.9K28 V32K28-F30 PolarHBondContact O-N 2.79Å; K28-F30 VanDerWaalsContact O-N 3.1Å; F30-V32 PolarHBondContact O-N 3.08Å
31T24.7Very low34.7Very low133 Ų133137.4 Ų137.482%0.81669%0.692SS**  trans-67.592.9162.642.50000105.9P29 G33P29-T31 PolarHBondContact O-N 3.07Å; T31-G33 VanDerWaalsContact C-N 3.31Å; T31-G33 PolarHBondContact O-N 3.5Å
32V25.4Very low32.6Very low136 Ų136138.4 Ų138.482%0.82471%0.705SS**  trans-62.4102.2164.4-169.50000104.5F30F30-V32 PolarHBondContact O-N 3.08Å
33G24.7Very low30.6Very low48 Ų48137 Ų13750%0.49570%0.704SS.*  trans-57.4162.617200000110.5T31 Q35T31-G33 VanDerWaalsContact C-N 3.31Å; T31-G33 PolarHBondContact O-N 3.5Å; G33-Q35 PolarHBondContact O-N 3.28Å
34P25.1Very low28.4Very low119 Ų119132.9 Ų132.977%0.77369%0.694SS**SBendtrans-50.7136.2175.124-32000109.7E36P34-E36 PolarHBondContact O-N 3.45Å
35Q24.5Very low26.6Very low195 Ų195135.5 Ų135.591%0.91170%0.698SS**SBendtrans-43.2104.6-175.3-72.5178.9-32.600112.8G33G33-Q35 PolarHBondContact O-N 3.28Å
36E22.8Very low25.9Very low169 Ų169135.6 Ų135.679%0.7969%0.688SS**  trans-156.2124.8172.8-107.4152.2-148.700111.4P34P34-E36 PolarHBondContact O-N 3.45Å
37E23Very low25.1Very low175 Ų175140 Ų14082%0.81871%0.705SS**  trans76.3109.8155.7-54.9-170162.500120.3C39E37-C39 PolarHBondContact O-N 2.79Å
38R22.6Very low25Very low230 Ų230142 Ų14287%0.86872%0.721SS**  trans-60.899.3167-63.3173.8-179.7177.8-1.5109.6W40R38-W40 PolarHBondContact O-N 3.42Å
39C22.6Very low24.7Very low118 Ų118139.6 Ų139.680%0.79771%0.707SS**  trans-83.3114.1169.9-72.10000110.9E37E37-C39 PolarHBondContact O-N 2.79Å
40W26.3Very low24.6Very low208 Ų208143.8 Ų143.879%0.78872%0.718SS**  trans-89.6116.5164.4-62.782.5000108.3R38 C42R38-W40 PolarHBondContact O-N 3.42Å; W40-C42 PolarHBondContact O-N 3.18Å
41M24.6Very low24.6Very low167 Ų167139.5 Ų139.582%0.82371%0.707SS**  trans-92.285.6163-96.2-174.279.400108.6
42C25.4Very low24.5Very low84 Ų84138.1 Ų138.157%0.56870%0.698SS**  trans-85.6121.5165.3-66.30000107.9W40 E44W40-C42 PolarHBondContact O-N 3.18Å; C42-E44 VanDerWaalsContact C-N 3.26Å; C42-E44 PolarHBondContact O-N 3.38Å
43S24.5Very low24.5Very low63 Ų63136 Ų13644%0.44170%0.695SS.*  trans-67.194.7157.559.40000107Y45S43-Y45 PolarHBondContact O-N 3.18Å
44E24.4Very low24.4Very low133 Ų133139.4 Ų139.462%0.62171%0.706SS**  trans-57.5104.9172-82.7-168.8154.900109C42 K72C42-E44 VanDerWaalsContact C-N 3.26Å; C42-E44 PolarHBondContact O-N 3.38Å; E44-K72 IonicContact OE2-NZ 3.95Å; E44-K72 PolarHBondContact OE2-NZ 2.88Å
45Y26.5Very low24.4Very low147 Ų147138.6 Ų138.658%0.57670%0.703SS**  trans-100.7123.8161.2-87.5-85.2000109.3S43 L47S43-Y45 PolarHBondContact O-N 3.18Å; Y45-L47 PolarHBondContact O-N 3.08Å
46V25.3Very low24.5Very low58 Ų58138.3 Ų138.335%0.35270%0.702SS.*  trans-36.3105.6175.2179.20000111.7Q48 R49 I70V46-Q48 PolarHBondContact O-N 3.23Å; V46-R49 HydrophobicContact CG1-CB 4.41Å; V46-I70 HydrophobicContact CG1-CG2 4.21Å; V46-I70 HydrophobicContact CG2-CG2 3.94Å
47L23.7Very low24.8Very low155 Ų155135.5 Ų135.581%0.81270%0.696SS**  trans-58.5117.6163.3-82.2156.4000108.6Y45 R49Y45-L47 PolarHBondContact O-N 3.08Å; L47-R49 PolarHBondContact O-N 3Å
48Q24.5Very low24.9Very low193 Ų193131.5 Ų131.590%0.90269%0.685SS**SBendtrans32.678157.1-89-178.2-23.600116V46V46-Q48 PolarHBondContact O-N 3.23Å
49R25Very low25.1Very low128 Ų128130.4 Ų130.448%0.48369%0.69SS.*  trans-133.9130.8167.5-73.6-178.2171.7176.1-8111.9V46 L47 V51 K72V46-R49 HydrophobicContact CG1-CB 4.41Å; L47-R49 PolarHBondContact O-N 3Å; R49-V51 PolarHBondContact O-N 2.76Å; R49-K72 PolarHBondContact NH1-O 3.18Å
50Q25.2Very low25.2Very low182 Ų182128.6 Ų128.685%0.8569%0.692SS**  trans-48.4119.4-171-69167.8-2700112.8V52Q50-V52 HydrophobicContact CB-CG2 4.39Å; Q50-V52 PolarHBondContact O-N 3.16Å; Q50-V52 VanDerWaalsContact O-N 3.11Å
51V25.3Very low25Very low88 Ų88121 Ų12153%0.53367%0.673SS.*  trans-76.694.2162.4-178.20000107R49 A53 L106R49-V51 PolarHBondContact O-N 2.76Å; V51-A53 PolarHBondContact O-N 3.39Å; V51-L106 HydrophobicContact CG2-CD1 4.14Å; V51-L106 HydrophobicContact CG2-CD2 4.21Å
52V23.9Very low25Very low105 Ų105118.9 Ų118.964%0.63667%0.669SS**  trans-76.1109.8166.2-177.30000106.4Q50 T54Q50-V52 HydrophobicContact CB-CG2 4.39Å; Q50-V52 PolarHBondContact O-N 3.16Å; Q50-V52 VanDerWaalsContact O-N 3.11Å; V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 PolarHBondContact O-N 3.17Å
53A24.1Very low25Very low92 Ų92119.4 Ų119.476%0.7667%0.672SS**  trans-62.198169.300000108V51 S55V51-A53 PolarHBondContact O-N 3.39Å; A53-S55 PolarHBondContact O-N 3.37Å
54T24.3Very low24.9Very low119 Ų119127.3 Ų127.373%0.7369%0.692SS**  trans-74.2121.8173.750.90000108.4V52V52-T54 VanDerWaalsContact C-N 3.33Å; V52-T54 PolarHBondContact O-N 3.17Å
55S24.6Very low24.8Very low102 Ų102124.9 Ų124.971%0.71369%0.694SS**SBendtrans83130.4167.474.80000118.1A53 V57A53-S55 PolarHBondContact O-N 3.37Å; S55-V57 PolarHBondContact O-N 3.03Å
56E26.1Very low24.7Very low189 Ų189120.3 Ų120.388%0.88369%0.692SS**  trans-46.1109170-62.8167.8163.900110.6P58E56-P58 WeakPolarHBondContact O-CD 3.45Å
57V28.2Very low24.6Very low109 Ų109126.6 Ų126.666%0.66172%0.715SS**PPolyproline II helixtrans-81.3116.5168.3-177.90000106.7S55 E59 A61S55-V57 PolarHBondContact O-N 3.03Å; V57-E59 PolarHBondContact O-N 2.8Å; V57-A61 HydrophobicContact CG1-CB 4.04Å
58P25.8Very low24.7Very low92 Ų92122.5 Ų122.560%0.59770%0.696SS**PPolyproline II helixtrans-58.6137.1179.6-20.631.1000110.7E56 G60 A61E56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-G60 PolarHBondContact O-N 3Å; P58-G60 VanDerWaalsContact O-N 3.13Å; P58-A61 WeakPolarHBondContact O-CB 3.5Å; P58-A61 PolarHBondContact O-N 3.28Å
59E26.2Very low24.8Very low207 Ų207122.2 Ų122.297%0.96769%0.687SS**THydrogen-bonded Turntrans-51.5121.8168.7-78.3-174.3151.300109.2V57V57-E59 PolarHBondContact O-N 2.8Å
60G24.9Very low24.9Very low80 Ų80118.5 Ų118.583%0.82568%0.676SS**THydrogen-bonded Turntrans98.2-4.9-177.800000116.1P58 V62P58-G60 PolarHBondContact O-N 3Å; P58-G60 VanDerWaalsContact O-N 3.13Å; G60-V62 PolarHBondContact O-N 3.43Å
61A23.7Very low24.9Very low48 Ų48115.2 Ų115.240%0.39766%0.663SS.*  trans-76.2113.7172.300000111V57 P58 P63V57-A61 HydrophobicContact CG1-CB 4.04Å; P58-A61 WeakPolarHBondContact O-CB 3.5Å; P58-A61 PolarHBondContact O-N 3.28Å; A61-P63 VanDerWaalsContact O-CD 3.24Å; A61-P63 WeakPolarHBondContact O-CD 3.09Å
62V22.9Very low25.1Very low123 Ų123115.6 Ų115.675%0.74566%0.658SS**  trans-66.1114.3171.5-178.70000108.6G60 R64G60-V62 PolarHBondContact O-N 3.43Å; V62-R64 PolarHBondContact O-N 3.17Å
63P25.3Very low25.2Very low95 Ų95115.8 Ų115.862%0.61765%0.652SS**  trans-71.595.5-178.328.3-32.1000109.6A61 A65A61-P63 VanDerWaalsContact O-CD 3.24Å; A61-P63 WeakPolarHBondContact O-CD 3.09Å; P63-A65 PolarHBondContact O-N 2.88Å
64R22.6Very low25.3Very low228 Ų228115.1 Ų115.186%0.8664%0.64SS**  trans-67.3106.4164.5-79.7-178.2166.6177.2-1.7107.7V62 G66V62-R64 PolarHBondContact O-N 3.17Å; R64-G66 PolarHBondContact O-N 3.23Å
65A23Very low25.3Very low82 Ų82114.1 Ų114.168%0.67863%0.629SS**SBendtrans35.679.2169.400000113.8P63 F67P63-A65 PolarHBondContact O-N 2.88Å; A65-F67 PolarHBondContact O-N 3.13Å
66G23.5Very low25.3Very low51 Ų51115 Ų11553%0.52663%0.631SS.*  trans-61.8122.417900000111.6R64 V68R64-G66 PolarHBondContact O-N 3.23Å; G66-V68 PolarHBondContact O-N 3.04Å
67F24.6Very low25.2Very low191 Ų191114.8 Ų114.884%0.83863%0.627SS**  trans-69.9120171.4-64.2-95.4000108.9A65A65-F67 PolarHBondContact O-N 3.13Å
68V25.9Very low25Very low68 Ų68116.9 Ų116.941%0.41262%0.623SS.*  trans-93101167.3-174.90000107.2G66 I70G66-V68 PolarHBondContact O-N 3.04Å; V68-I70 HydrophobicContact CG1-CG1 4.05Å; V68-I70 PolarHBondContact O-N 3.28Å
69R26.3Very low24.8Very low187 Ų187125 Ų12571%0.70664%0.641SS**  trans-75.5106.4167.9-112.2-178.9173.4177.1-3.2107.6L71 Q87R69-L71 PolarHBondContact O-N 2.69Å; R69-Q87 VanDerWaalsContact NH2-OE1 3.12Å
70I27.1Very low24.7Very low50 Ų50119 Ų11926%0.25664%0.636SS.*  trans-86.9106.7170.2-59.8167.7000107.3V46 V68 K72 I92V46-I70 HydrophobicContact CG1-CG2 4.21Å; V46-I70 HydrophobicContact CG2-CG2 3.94Å; V68-I70 HydrophobicContact CG1-CG1 4.05Å; V68-I70 PolarHBondContact O-N 3.28Å; I70-K72 PolarHBondContact O-N 3.13Å; I70-I92 HydrophobicContact CD1-CD1 3.4Å; I70-I92 HydrophobicContact CD1-CG1 4.32Å
71L25.6Very low24.6Very low113 Ų113120.6 Ų120.659%0.59263%0.629SS**  trans-74118.9170.1-71.6163.8000108R69 E73 I75R69-L71 PolarHBondContact O-N 2.69Å; L71-E73 PolarHBondContact O-N 3.47Å; L71-E73 VanDerWaalsContact O-N 3.17Å; L71-I75 HydrophobicContact CD1-CD1 4.5Å
72K28.9Very low24.6Very low97 Ų97123 Ų12342%0.42265%0.649SS.*SBendtrans-67.2-11.2-179.2-151.6174.8-179.2-178.20112.2E44 R49 I70E44-K72 IonicContact OE2-NZ 3.95Å; E44-K72 PolarHBondContact OE2-NZ 2.88Å; R49-K72 PolarHBondContact NH1-O 3.18Å; I70-K72 PolarHBondContact O-N 3.13Å
73E26Very low24.6Very low108 Ų108123.2 Ų123.251%0.50565%0.651SS.*SBendtrans-143.1139.2-177.7-63-176164.200114.2L71 I75L71-E73 PolarHBondContact O-N 3.47Å; L71-E73 VanDerWaalsContact O-N 3.17Å; E73-I75 PolarHBondContact O-N 3.25Å
74P25.6Very low24.5Very low78 Ų78126.6 Ų126.651%0.50666%0.659SS.*  trans-69.3116.4169.928.8-31.1000106.8T76P74-T76 VanDerWaalsContact C-N 3.33Å; P74-T76 PolarHBondContact O-N 2.9Å
75I24.5Very low24.6Very low99 Ų99121.3 Ų121.351%0.50865%0.647SS.*  trans-71.191.2177.3-55.2170.6000107.6L71 E73 F77L71-I75 HydrophobicContact CD1-CD1 4.5Å; E73-I75 PolarHBondContact O-N 3.25Å; I75-F77 HydrophobicContact CB-CE2 4.4Å; I75-F77 HydrophobicContact CG2-CD1 3.98Å; I75-F77 HydrophobicContact CG2-CD2 3.83Å; I75-F77 HydrophobicContact CG2-CE1 3.71Å; I75-F77 HydrophobicContact CG2-CE2 3.54Å; I75-F77 HydrophobicContact CG2-CG 4.04Å; I75-F77 HydrophobicContact CG2-CZ 3.49Å; I75-F77 VanDerWaalsContact CG2-CZ 3.49Å
76T24.5Very low24.7Very low121 Ų121122.5 Ų122.574%0.74264%0.638SS**  trans-88.3101.8157.932.10000108.1P74 R78P74-T76 VanDerWaalsContact C-N 3.33Å; P74-T76 PolarHBondContact O-N 2.9Å; T76-R78 PolarHBondContact O-N 3.22Å; T76-R78 VanDerWaalsContact O-N 3.08Å
77F23.5Very low24.7Very low183 Ų183126.7 Ų126.780%0.80364%0.644SS**  trans-61.4108.3177.8-65.6-87.1000110.6I75I75-F77 HydrophobicContact CB-CE2 4.4Å; I75-F77 HydrophobicContact CG2-CD1 3.98Å; I75-F77 HydrophobicContact CG2-CD2 3.83Å; I75-F77 HydrophobicContact CG2-CE1 3.71Å; I75-F77 HydrophobicContact CG2-CE2 3.54Å; I75-F77 HydrophobicContact CG2-CG 4.04Å; I75-F77 HydrophobicContact CG2-CZ 3.49Å; I75-F77 VanDerWaalsContact CG2-CZ 3.49Å
78R23.7Very low24.8Very low154 Ų154123.4 Ų123.458%0.58163%0.631SS**  trans-81.6131.8159.4-81.4-178166.1-162.8-7.3108.6T76 G80 Q160T76-R78 PolarHBondContact O-N 3.22Å; T76-R78 VanDerWaalsContact O-N 3.08Å; R78-G80 PolarHBondContact O-N 3.46Å; R78-Q160 VanDerWaalsContact CZ-CD 3.41Å
79R22.1Very low24.7Very low261 Ų261124.7 Ų124.799%0.98564%0.643SS**THydrogen-bonded Turntrans-59.4120.1169.8-90.2-176.6172.8178.6-1.7108.9
80G24.2Very low24.7Very low83 Ų83120.3 Ų120.386%0.85663%0.627SS**THydrogen-bonded Turntrans108.512.6165.400000117.9R78R78-G80 PolarHBondContact O-N 3.46Å
81V23.5Very low24.6Very low112 Ų112127.1 Ų127.168%0.67966%0.655SS**  trans-120.2116.8177.2-172.70000110.4
82A22.3Very low24.7Very low99 Ų99126 Ų12682%0.81865%0.649SS**  trans-68.6144.8174.200000110.8
83T23.7Very low24.6Very low128 Ų128126.9 Ų126.979%0.78566%0.664SS**  trans-96107.6-160.845.90000112.5
84E23.8Very low24.5Very low166 Ų166124.4 Ų124.478%0.77666%0.663SS**  trans-127.692.2161.1-76.8-179.8-176.300108.1
85L24Very low24.5Very low117 Ų117124.7 Ų124.761%0.61367%0.665SS**  trans-117.3109.7177.1-108.1155.7000108.5Q87L85-Q87 PolarHBondContact O-N 3.29Å
86H24.5Very low24.5Very low106 Ų106124.7 Ų124.749%0.49167%0.673SS.*  trans-56.6115175.6-70.7-59.5000110.9H88 E201H86-H88 PolarHBondContact O-N 2.9Å; H86-E201 WeakPolarHBondContact CE1-CG 3.35Å
87Q24.8Very low24.4Very low139 Ų139124.5 Ų124.565%0.6567%0.672SS**  trans-78.694.7178.4-69.9-179.611.400110.3R69 L85 S89R69-Q87 VanDerWaalsContact NH2-OE1 3.12Å; L85-Q87 PolarHBondContact O-N 3.29Å; Q87-S89 PolarHBondContact O-N 3.47Å
88H25.5Very low24.4Very low122 Ų122126.6 Ų126.657%0.56568%0.676SS**  trans-76.5108.3163.3-72-65.5000109.9H86 Y90H86-H88 PolarHBondContact O-N 2.9Å; H88-Y90 HydrophobicContact CB-CE2 4Å
89S25.2Very low24.5Very low95 Ų95121.6 Ų121.666%0.66467%0.672SS**  trans-89.5107.6177.1-580000109.7Q87Q87-S89 PolarHBondContact O-N 3.47Å
90Y25.4Very low24.6Very low96 Ų96113.3 Ų113.338%0.37665%0.653SS.*  trans-87126.3171.6-65.6-88.3000109.9H88 I92H88-Y90 HydrophobicContact CB-CE2 4Å; Y90-I92 PolarHBondContact O-N 3.47Å
91F26Very low24.6Very low193 Ų193113.7 Ų113.785%0.84664%0.64SS**  trans-80.9103.5170.6-99-90.2000109.5
92I26.8Very low24.7Very low88 Ų88112 Ų11245%0.45164%0.638SS.*  trans-98.3116.2164.9-58.1-179000107.1I70 Y90 A94I70-I92 HydrophobicContact CD1-CD1 3.4Å; I70-I92 HydrophobicContact CD1-CG1 4.32Å; Y90-I92 PolarHBondContact O-N 3.47Å; I92-A94 PolarHBondContact O-N 3.49Å
93P26.1Very low24.7Very low116 Ų116111.5 Ų111.575%0.75363%0.628SS**  trans-62.9107.4171.423.9-29.2000108.5
94A25.8Very low24.7Very low57 Ų57109.5 Ų109.547%0.47162%0.618SS.*  trans-58.2128.1171.100000108.4I92 S96I92-A94 PolarHBondContact O-N 3.49Å; A94-S96 PolarHBondContact O-N 2.94Å
95P25.1Very low24.8Very low84 Ų84105.7 Ų105.755%0.54560%0.603SS.*  trans-57.8132.6178.215.6-23000109.6V97 L105P95-V97 PolarHBondContact O-N 3.34Å; P95-V97 VanDerWaalsContact O-N 3.07Å; P95-L105 HydrophobicContact CG-CD1 3.45Å; P95-L105 VanDerWaalsContact CG-CD1 3.45Å
96S23.3Very low24.8Very low99 Ų99105.2 Ų105.269%0.69260%0.6SS**  trans-48111.1179.249.60000111.9A94 Y98A94-S96 PolarHBondContact O-N 2.94Å; S96-Y98 PolarHBondContact O-N 2.99Å
97V23.4Very low24.8Very low117 Ų117105.9 Ų105.971%0.70961%0.608SS**SBendtrans39.2-0.8139-165.80000120.2P95P95-V97 PolarHBondContact O-N 3.34Å; P95-V97 VanDerWaalsContact O-N 3.07Å
98Y23.1Very low24.8Very low226 Ų226104.6 Ų104.689%0.88661%0.61SS**SBendtrans-141.317.7-176.3-76.2-79.2000112.9S96S96-Y98 PolarHBondContact O-N 2.99Å
99G25.6Very low24.8Very low49 Ų49102.7 Ų102.751%0.50561%0.606SS.*SBendtrans-106.4163.6-177.900000114
100P24Very low24.9Very low88 Ų88103.1 Ų103.157%0.57161%0.607SS**SBendtrans-55.1151.5175.424.1-32.8000111A102P100-A102 PolarHBondContact O-N 3.31Å
101P24.4Very low24.9Very low90 Ų90100.7 Ų100.758%0.58460%0.602SS**  trans-51.1139.5-174.820.2-32.1000111.3S103 C104P101-S103 PolarHBondContact O-N 3.35Å; P101-C104 PolarHBondContact O-N 3.44Å
102A25.6Very low25Very low78 Ų7894.2 Ų94.265%0.64558%0.58SS**G310 helixtrans-53.1-16.1-175.100000114.5P100 C104 L105P100-A102 PolarHBondContact O-N 3.31Å; A102-C104 PolarHBondContact O-N 2.92Å; A102-L105 PolarHBondContact O-N 3.45Å
103S23.6Very low25Very low87 Ų8793.5 Ų93.561%0.60858%0.582SS**G310 helixtrans-62.8-19.9169.752.20000114.7P101P101-S103 PolarHBondContact O-N 3.35Å
104C22.9Very low25.1Very low86 Ų8693.8 Ų93.858%0.58157%0.568SS**G310 helixtrans-95.6-7.2-179.1-67.70000114.2P101 A102P101-C104 PolarHBondContact O-N 3.44Å; A102-C104 PolarHBondContact O-N 2.92Å
105L25.1Very low25.1Very low86 Ų8698.4 Ų98.445%0.4557%0.574SS.*SBendtrans-96.40.6-175.3-79.2154.5000114.1P95 A102P95-L105 HydrophobicContact CG-CD1 3.45Å; P95-L105 VanDerWaalsContact CG-CD1 3.45Å; A102-L105 PolarHBondContact O-N 3.45Å
106L24.4Very low25.1Very low107 Ų107100 Ų10056%0.5659%0.586SS**THydrogen-bonded Turntrans-90.41.8-171.3-76161.6000115V51V51-L106 HydrophobicContact CG2-CD1 4.14Å; V51-L106 HydrophobicContact CG2-CD2 4.21Å
107N23.8Very low25.3Very low120 Ų12099.4 Ų99.464%0.64258%0.575SS**THydrogen-bonded Turntrans-112.45.2-172.4-81.5-28000115.6
108T25.2Very low25.4Very low113 Ų11397.3 Ų97.369%0.69358%0.577SS**  trans-150.285.4-178.750.70000110
109V26Very low25.5Very low82 Ų8295.8 Ų95.850%0.49758%0.578SS.*  trans-108.1114.2167.2-174.60000106.8V111V109-V111 PolarHBondContact O-N 3.17Å
110P26.5Very low25.6Very low104 Ų10499.5 Ų99.568%0.67559%0.586SS**  trans-64125.217524.3-29.9000109.1
111V26.7Very low25.7Very low44 Ų44100.1 Ų100.127%0.26759%0.59SS.*  trans-93.9126173.4-173.70000107.5V109 F128V109-V111 PolarHBondContact O-N 3.17Å; V111-F128 HydrophobicContact CB-CE2 3.8Å; V111-F128 HydrophobicContact CG2-CD2 4.34Å; V111-F128 HydrophobicContact CG2-CE2 3.53Å; V111-F128 HydrophobicContact CG2-CZ 4.2Å
112S26.8Very low25.8Very low57 Ų57101.7 Ų101.740%0.39959%0.59SS.*  trans-103.1106.9173-36.50000108.3
113C27.1Very low25.9Very low73 Ų73104.9 Ų104.949%0.49359%0.586SS.*  trans-95.1131.3172.8-67.60000109.5
114W27.8Very low26Very low122 Ų122104.2 Ų104.246%0.46257%0.573SS.*BIsolated β-bridgetrans-111.2124.5177.2-57.286000108.9Y123 P235W114-Y123 HydrophobicContact CH2-CD2 4.4Å; W114-P235 HydrophobicContact CH2-CG 4.46Å; W114-P235 HydrophobicContact CZ3-CG 4.27Å
115R26.5Very low26.3Very low155 Ų155105.4 Ų105.459%0.58557%0.573SS**  trans-96110.8169.3-174.1171.3173.5178.9-6.8107.9D117 F124R115-D117 VanDerWaalsContact C-N 3.25Å; R115-D117 HydrophobicContact CG-CB 4.24Å; R115-D117 WeakPolarHBondContact CG-OD1 3.46Å; R115-D117 IonicContact CZ-OD2 2.69Å; R115-D117 IonicContact NE-OD1 3.1Å; R115-D117 PolarHBondContact NE-OD1 3.35Å; R115-D117 IonicContact NE-OD2 2.64Å; R115-D117 PolarHBondContact NE-OD2 3.34Å; R115-D117 IonicContact NH2-OD2 2.72Å; R115-D117 PolarHBondContact NH2-OD2 3.27Å; R115-D117 PolarHBondContact O-N 3.11Å; R115-F124 HydrophobicContact CB-CE2 4.45Å
116C25.3Very low26.3Very low118 Ų118105.5 Ų105.580%0.79757%0.571SS**  trans-88.465.2177.1-66.50000109.7
117D27.2Very low26.3Very low85 Ų85104.1 Ų104.146%0.45557%0.57SS.*  trans-97.8141.5171.8-7522.9000109.4R115R115-D117 VanDerWaalsContact C-N 3.25Å; R115-D117 HydrophobicContact CG-CB 4.24Å; R115-D117 WeakPolarHBondContact CG-OD1 3.46Å; R115-D117 IonicContact CZ-OD2 2.69Å; R115-D117 IonicContact NE-OD1 3.1Å; R115-D117 PolarHBondContact NE-OD1 3.35Å; R115-D117 IonicContact NE-OD2 2.64Å; R115-D117 PolarHBondContact NE-OD2 3.34Å; R115-D117 IonicContact NH2-OD2 2.72Å; R115-D117 PolarHBondContact NH2-OD2 3.27Å; R115-D117 PolarHBondContact O-N 3.11Å
118G25Very low26.4Very low74 Ų74106.3 Ų106.376%0.76358%0.575SS**THydrogen-bonded Turntrans-46.6143.6-17700000114.3N120G118-N120 VanDerWaalsContact C-N 3.35Å; G118-N120 PolarHBondContact O-N 2.89Å; G118-N120 VanDerWaalsContact O-N 3.13Å
119E27Very low26.3Very low194 Ų194108.4 Ų108.491%0.90758%0.576SS**THydrogen-bonded Turntrans72.8-22.4168-57.7-169.3155.600119
120N26.4Very low26.3Very low126 Ų126113 Ų11367%0.67459%0.593SS**  trans-147.4104.7176.6-80.9-47.6000113.8G118 Q122G118-N120 VanDerWaalsContact C-N 3.35Å; G118-N120 PolarHBondContact O-N 2.89Å; G118-N120 VanDerWaalsContact O-N 3.13Å; N120-Q122 PolarHBondContact O-N 3.33Å; N120-Q122 VanDerWaalsContact O-N 3.1Å
121P27Very low26.1Very low101 Ų101113.2 Ų113.266%0.65659%0.588SS**  trans-67.8110.5171.626.9-30.9000110
122Q26.1Very low26.2Very low124 Ų124118.7 Ų118.758%0.57961%0.611SS**  trans-89.6119.3170.6-70.3-175.5-6.900109.4N120 F124N120-Q122 PolarHBondContact O-N 3.33Å; N120-Q122 VanDerWaalsContact O-N 3.1Å; Q122-F124 HydrophobicContact CB-CD2 4.39Å; Q122-F124 HydrophobicContact CB-CE2 3.77Å; Q122-F124 HydrophobicContact CB-CZ 4.15Å; Q122-F124 WeakPolarHBondContact O-CD2 3.01Å; Q122-F124 PolarHBondContact O-N 2.99Å
123Y27.7Very low26.1Very low144 Ų144124.9 Ų124.957%0.56563%0.63SS**BIsolated β-bridgetrans-72.8116.3168.2178.2-105.6000108.5W114 D125W114-Y123 HydrophobicContact CH2-CD2 4.4Å; Y123-D125 HydrophobicContact CD1-CB 3.99Å; Y123-D125 HydrophobicContact CE1-CB 3.34Å; Y123-D125 PolarHBondContact OH-OD1 2.93Å
124F25.8Very low25.9Very low74 Ų74125.7 Ų125.733%0.32564%0.636SS.*  trans-96.499.1170-70.5-85.3000108.3R115 Q122 H126R115-F124 HydrophobicContact CB-CE2 4.45Å; Q122-F124 HydrophobicContact CB-CD2 4.39Å; Q122-F124 HydrophobicContact CB-CE2 3.77Å; Q122-F124 HydrophobicContact CB-CZ 4.15Å; Q122-F124 WeakPolarHBondContact O-CD2 3.01Å; Q122-F124 PolarHBondContact O-N 2.99Å; F124-H126 PolarHBondContact O-N 3.29Å
125D28.1Very low25.6Very low110 Ų110124.4 Ų124.459%0.58864%0.638SS**  trans-75.476168.8-145.29000108.7Y123 S127Y123-D125 HydrophobicContact CD1-CB 3.99Å; Y123-D125 HydrophobicContact CE1-CB 3.34Å; Y123-D125 PolarHBondContact OH-OD1 2.93Å; D125-S127 PolarHBondContact O-N 3.29Å; D125-S127 VanDerWaalsContact O-N 3.1Å
126H27Very low25.5Very low89 Ų89122.8 Ų122.841%0.41264%0.64SS.*  trans-83.877.2166.3-77.5-48.3000108.5F124 F128F124-H126 PolarHBondContact O-N 3.29Å; H126-F128 PolarHBondContact O-N 3.06Å; H126-F128 VanDerWaalsContact O-N 3.14Å
127S24.4Very low25.4Very low78 Ų78125.6 Ų125.655%0.54564%0.644SS.*  trans-57.6115.9148.159.30000106.3D125 Q129D125-S127 PolarHBondContact O-N 3.29Å; D125-S127 VanDerWaalsContact O-N 3.1Å; S127-Q129 PolarHBondContact O-N 2.65Å
128F24.2Very low25.2Very low166 Ų166130.6 Ų130.673%0.72866%0.656SS**  trans-6377168.9-82.4-98.7000108.9V111 H126V111-F128 HydrophobicContact CB-CE2 3.8Å; V111-F128 HydrophobicContact CG2-CD2 4.34Å; V111-F128 HydrophobicContact CG2-CE2 3.53Å; V111-F128 HydrophobicContact CG2-CZ 4.2Å; H126-F128 PolarHBondContact O-N 3.06Å; H126-F128 VanDerWaalsContact O-N 3.14Å
129Q24.5Very low25.2Very low156 Ų156135.3 Ų135.373%0.72966%0.659SS**  trans-83.2120.7146.5-78.5-172.5-12.800105.1S127 D131S127-Q129 PolarHBondContact O-N 2.65Å; Q129-D131 PolarHBondContact O-N 3.07Å
130Q25.5Very low25Very low180 Ų180134.3 Ų134.384%0.84165%0.652SS**  trans-68.172.6174.8-161.5176.119.700107.6
131D22.9Very low24.8Very low107 Ų107133.3 Ų133.357%0.57265%0.652SS**  trans-80.6121.5-179.7-149.3-3.8000107.6Q129 K133 C134Q129-D131 PolarHBondContact O-N 3.07Å; D131-K133 PolarHBondContact O-N 2.88Å; D131-C134 PolarHBondContact O-N 3.5Å
132E27.6Very low24.5Very low160 Ų160134.5 Ų134.575%0.74866%0.659SS**THydrogen-bonded Turntrans-62.38.1-175.8-75.4-173.7144.500113.7K308E132-K308 IonicContact OE1-NZ 2.92Å; E132-K308 PolarHBondContact OE1-NZ 3.12Å
133K24.4Very low24.4Very low186 Ų186136.4 Ų136.481%0.80967%0.668SS**THydrogen-bonded Turntrans-128.51.2-176-71-177.4177.1176.20115.3D131 D135D131-K133 PolarHBondContact O-N 2.88Å; K133-D135 PolarHBondContact O-N 2.77Å; K133-D135 VanDerWaalsContact O-N 3.09Å
134C23.1Very low24.1Very low91 Ų91138.1 Ų138.162%0.61569%0.687SS**  trans-86.878.5176.3-90.70000112.2D131 L136D131-C134 PolarHBondContact O-N 3.5Å; C134-L136 PolarHBondContact O-N 3.46Å
135D22.8Very low23.9Very low95 Ų95142.8 Ų142.851%0.50871%0.713SS.*  trans-7745.8178.6-128.2-8.6000112.4K133 M137 R138K133-D135 PolarHBondContact O-N 2.77Å; K133-D135 VanDerWaalsContact O-N 3.09Å; D135-M137 PolarHBondContact O-N 3.45Å; D135-R138 PolarHBondContact O-N 2.96Å; D135-R138 WeakPolarHBondContact OD2-CD 3.44Å; D135-R138 IonicContact OD2-CZ 3.62Å; D135-R138 IonicContact OD2-NE 3.87Å; D135-R138 IonicContact OD2-NH1 2.73Å; D135-R138 PolarHBondContact OD2-NH1 3.17Å
136L22.7Very low23.5Very low120 Ų120141.1 Ų141.163%0.62872%0.722SS**THydrogen-bonded Turntrans-79.511.1-177.5-101.7155.7000114.5C134C134-L136 PolarHBondContact O-N 3.46Å
137M23.7Very low23.2Very low178 Ų178139.9 Ų139.988%0.87773%0.733SS**THydrogen-bonded Turntrans-926.2164.3-76.2-102-69.400112.7D135D135-M137 PolarHBondContact O-N 3.45Å
138R23.7Very low23.1Very low190 Ų190144.2 Ų144.272%0.71775%0.75SS**  trans-109.26.1-174.5-90.6-179.9169.3168.3-7.2117.1D135D135-R138 PolarHBondContact O-N 2.96Å; D135-R138 WeakPolarHBondContact OD2-CD 3.44Å; D135-R138 IonicContact OD2-CZ 3.62Å; D135-R138 IonicContact OD2-NE 3.87Å; D135-R138 IonicContact OD2-NH1 2.73Å; D135-R138 PolarHBondContact OD2-NH1 3.17Å
139E24Very low22.9Very low173 Ų173141.9 Ų141.981%0.80875%0.753SS**  trans-100.614.5174.8-78.3-167.1167.600115.1P141E139-P141 WeakPolarHBondContact O-CD 2.95Å
140F22.9Very low22.8Very low173 Ų173141.2 Ų141.276%0.75976%0.76SS**SBendtrans-79.6116.6158-80.2-82.4000108.4
141P22.6Very low22.6Very low104 Ų104139 Ų13968%0.67576%0.759SS**  trans-57131.9178.221.9-31000109.2E139 E143E139-P141 WeakPolarHBondContact O-CD 2.95Å; P141-E143 PolarHBondContact O-N 3.44Å
142P21.9Very low22.4Very low126 Ų126138.7 Ų138.782%0.81877%0.765SS**SBendtrans-80.156.8-173.835.1-36.1000110.2
143E22.2Very low22Very low164 Ų164138.7 Ų138.777%0.76678%0.775SS**  trans-162.887.6-175.8-109.1163.7-143.300110.6P141P141-E143 PolarHBondContact O-N 3.44Å
144L22.5Very low21.8Very low181 Ų181132.4 Ų132.495%0.94876%0.763SS**  trans-162.372.1143.7-101.6152.4000107.3G146L144-G146 PolarHBondContact O-N 2.86Å
145I20.8Very low21.7Very low171 Ų171139.3 Ų139.388%0.87778%0.778SS**  trans-61.1121.8163.2-61.9172.4000107.1
146G20.2Very low21.6Very low76 Ų76144.5 Ų144.578%0.78480%0.796SS**  trans-169.462.6178.800000113.8L144L144-G146 PolarHBondContact O-N 2.86Å
147G20Very low21.6Very low63 Ų63147.1 Ų147.165%0.64981%0.806SS**SBendtrans111.895.1155.700000116.8C149G147-C149 PolarHBondContact O-N 2.83Å
148N22.5Very low21.6Very low169 Ų169147.3 Ų147.390%0.90480%0.804SS**SBendtrans53.140144.2-69.9-2.4000120.6
149C21.5Very low21.6Very low116 Ų116144.7 Ų144.778%0.78481%0.809SS**  trans-138.297.5163-80.60000111.6G147 V151G147-C149 PolarHBondContact O-N 2.83Å; C149-V151 PolarHBondContact O-N 3.45Å
150T20.7Very low21.5Very low143 Ų143142.2 Ų142.288%0.87780%0.798SS**  trans-68.2116.5163.839.40000109.4
151V21.4Very low21.6Very low133 Ų133145.6 Ų145.681%0.80681%0.805SS**  trans-11198.7168.5-176.40000108.6C149C149-V151 PolarHBondContact O-N 3.45Å
152S20.1Very low21.6Very low101 Ų101144.8 Ų144.871%0.70681%0.808SS**  trans-65.3137.1166.329.90000110.3G154S152-G154 VanDerWaalsContact C-N 3.3Å; S152-G154 PolarHBondContact O-N 3.33Å
153V19.2Very low21.6Very low160 Ų160142.1 Ų142.197%0.9780%0.803SS**  trans-65.692.1169.2-176.10000107.3
154G20.1Very low21.6Very low54 Ų54141.8 Ų141.856%0.55781%0.806SS**  trans-136.5138-170.200000110.7S152S152-G154 VanDerWaalsContact C-N 3.3Å; S152-G154 PolarHBondContact O-N 3.33Å
155Y20.5Very low21.6Very low236 Ų236139.9 Ų139.993%0.92580%0.797SS**  trans-43.2141.3176.1-74.9-104.6000112.7E157Y155-E157 VanDerWaalsContact C-N 3.34Å; Y155-E157 PolarHBondContact O-N 3.32Å
156F21.4Very low21.7Very low203 Ų203142.1 Ų142.189%0.8980%0.801SS**SBendtrans-60.583.1179.7-87.1-99.3000112.2
157E22.8Very low21.8Very low176 Ų176142 Ų14282%0.82279%0.793SS**SBendtrans-133.4-7.7165.8-98.3-174.3160.600115Y155Y155-E157 VanDerWaalsContact C-N 3.34Å; Y155-E157 PolarHBondContact O-N 3.32Å
158E22.7Very low21.9Very low181 Ų181147 Ų14785%0.84680%0.798SS**SBendtrans-119.7-4.4-172.8-74.6-170.7144.400117.9Q160E158-Q160 PolarHBondContact O-N 3.22Å
159V23.9Very low21.9Very low136 Ų136145.4 Ų145.482%0.82480%0.799SS**  trans-84.733.5179.6-162.20000112.6
160Q22.7Very low22Very low121 Ų121146.6 Ų146.657%0.56580%0.798SS**  trans-99.618.5179.6-124.6171.511.100113.2R78 E158R78-Q160 VanDerWaalsContact CZ-CD 3.41Å; E158-Q160 PolarHBondContact O-N 3.22Å
161R23.4Very low22.1Very low243 Ų243148.2 Ų148.292%0.91780%0.796SS**SBendtrans-127.54.2-173.6-83.1-175.1178.71731.7117.4
162A23.2Very low22.2Very low88 Ų88148 Ų14873%0.72780%0.797SS**  trans-119.615.1-179.100000115.2N164A162-N164 PolarHBondContact O-N 2.82Å
163G21.9Very low22.5Very low70 Ų70152.5 Ų152.572%0.72281%0.807SS**THydrogen-bonded Turntrans-79.296.8169.500000110
164N22.9Very low22.7Very low156 Ų156152.1 Ų152.183%0.83480%0.799SS**THydrogen-bonded Turntrans-168.38.9160.5-96.9-10.4000115.6A162A162-N164 PolarHBondContact O-N 2.82Å
165N22Very low22.9Very low141 Ų141160.8 Ų160.875%0.75482%0.815SS**  trans-122.825.8-166.8-76.21.8000117.5
166F23.3Very low23.2Very low219 Ų219154.4 Ų154.496%0.96181%0.805SS**  trans-119.533.9173-74.5-77.9000113.9
167A21.1Very low23.3Very low73 Ų73152.4 Ų152.460%0.60380%0.804SS**  trans-94.4135.3149.200000106.9
168H22.6Very low23.5Very low167 Ų167149.4 Ų149.477%0.77380%0.802SS**  trans99.780179.5-53-62.9000116.8
169C22.6Very low23.5Very low136 Ų136148 Ų14892%0.91981%0.806SS**SBendtrans-110.316.4146.6-69.10000111.8
170D23.1Very low23.7Very low142 Ų142145.7 Ų145.776%0.75980%0.801SS**SBendtrans-112.686.8166.7-79.6-33.8000107.3
171Q23Very low23.7Very low177 Ų177148.5 Ų148.583%0.82782%0.82SS**  trans162.6125.8142.9-90.7175.79.600109.7E173Q171-E173 PolarHBondContact O-N 3.3Å
172P23.8Very low23.8Very low127 Ų127140 Ų14083%0.82581%0.809SS**  trans-67122.6164.227.9-28.9000107.7D174P172-D174 PolarHBondContact O-N 3.19Å
173E26.8Very low24Very low197 Ų197145.2 Ų145.292%0.92182%0.818SS**  trans-62.2105.9169-81.1-166.1158.900109.2Q171 R175Q171-E173 PolarHBondContact O-N 3.3Å; E173-R175 PolarHBondContact O-N 3.13Å
174D22.8Very low24Very low152 Ų152145.8 Ų145.881%0.81382%0.823SS**  trans-33.1111.3163.8-118.6-24.6000112.7P172P172-D174 PolarHBondContact O-N 3.19Å
175R24.1Very low24.1Very low235 Ų235147.5 Ų147.589%0.88783%0.827SS**  trans-142.4108146.3-76.6-162.7173.4168.9-0.3110.6E173E173-R175 PolarHBondContact O-N 3.13Å
176S26.1Very low24.2Very low102 Ų102146 Ų14671%0.71383%0.827SS**SBendtrans93.4102.4156.574.40000117.9
177N24.5Very low24.2Very low162 Ų162140.7 Ų140.787%0.86682%0.824SS**  trans54.684.5138.5-64-11.8000117.2
178S26.9Very low24.4Very low112 Ų112139.9 Ų139.978%0.78382%0.822SS**  -157.9120.3128.160.30000111.8A180S178-A180 PolarHBondContact O-N 3.33Å
179T23.3Very low24.6Very low151 Ų151137.4 Ų137.493%0.92681%0.814SS**  trans-64.3106.6166.6130000109.5
180A27.1Very low24.9Very low88 Ų88133.8 Ų133.873%0.72779%0.79SS**  trans-138.595.116300000109.4S178 G182S178-A180 PolarHBondContact O-N 3.33Å; A180-G182 PolarHBondContact O-N 3Å; A180-G182 VanDerWaalsContact O-N 3.13Å
181N23.2Very low25.3Very low180 Ų180131.6 Ų131.696%0.96378%0.783SS**  trans-55.2110.9161.6-75.7-23.8000108.6
182G26.8Very low25.7Very low66 Ų66124.9 Ų124.968%0.6876%0.758SS**  trans-145113.2171.100000107.9A180 G184A180-G182 PolarHBondContact O-N 3Å; A180-G182 VanDerWaalsContact O-N 3.13Å; G182-G184 PolarHBondContact O-N 2.73Å
183E25.8Very low26.1Very low197 Ų197123.4 Ų123.492%0.92174%0.739SS**  trans-45.6129.1-177.6-66.8171.8137.100112.2Q185E183-Q185 PolarHBondContact O-N 2.98Å
184G23.2Very low26.4Very low81 Ų81121.8 Ų121.884%0.83572%0.724SS**  trans-58.7107.7-178.800000112.2G182G182-G184 PolarHBondContact O-N 2.73Å
185Q23.7Very low26.9Very low193 Ų193122.6 Ų122.690%0.90272%0.716SS**  trans-10388.8155.1-73.3-178.72.600106.9E183 A187E183-Q185 PolarHBondContact O-N 2.98Å; Q185-A187 PolarHBondContact O-N 3.34Å
186S24.3Very low27.3Very low109 Ų109112.7 Ų112.776%0.76268%0.682SS**  trans-59.1122.3156.550.50000106.3G188S186-G188 PolarHBondContact O-N 2.96Å
187A23.6Very low27.7Very low108 Ų108113.4 Ų113.489%0.89367%0.672SS**  trans-65.776.8165.200000106.7Q185 I189Q185-A187 PolarHBondContact O-N 3.34Å; A187-I189 PolarHBondContact O-N 3.42Å
188G24.7Very low28.1Very low55 Ų55110.2 Ų110.257%0.56765%0.652SS**  trans-66.4121.4-167.200000109.6S186 S190S186-G188 PolarHBondContact O-N 2.96Å; G188-S190 PolarHBondContact O-N 2.93Å; G188-S190 VanDerWaalsContact O-N 3.08Å
189I27.8Very low28.5Very low116 Ų116107.5 Ų107.560%0.59563%0.626SS**  trans-41.9120.8159.2-67.1172.8000107A187 F193 R194A187-I189 PolarHBondContact O-N 3.42Å; I189-F193 HydrophobicContact CG2-CB 3.75Å; I189-F193 HydrophobicContact CG2-CD1 3.75Å; I189-F193 HydrophobicContact CG2-CG 4.19Å; I189-R194 HydrophobicContact CG2-CB 4.24Å
190S28.9Very low29Very low60 Ų60109.2 Ų109.242%0.4262%0.617SS.*  trans-51.1136.6-177.6116.80000108.7G188 A192 F193 R194G188-S190 PolarHBondContact O-N 2.93Å; G188-S190 VanDerWaalsContact O-N 3.08Å; S190-A192 PolarHBondContact O-N 3.06Å; S190-A192 PolarHBondContact OG-N 3.03Å; S190-F193 WeakPolarHBondContact O-CA 3.32Å; S190-F193 VanDerWaalsContact O-CB 3.31Å; S190-F193 WeakPolarHBondContact O-CB 3.19Å; S190-F193 PolarHBondContact O-N 3.07Å; S190-F193 PolarHBondContact OG-N 2.88Å; S190-R194 PolarHBondContact O-N 3.24Å
191P30.3Very low29.2Very low95 Ų95110.1 Ų110.162%0.61761%0.606SS**Hα-helixtrans-53.8-27178.7-27.133.4000112.9R195P191-R195 WeakPolarHBondContact O-CG 3.33Å; P191-R195 PolarHBondContact O-N 3.22Å; P191-R195 VanDerWaalsContact O-N 3.12Å
192A32.7Very low29.7Very low37 Ų37104.9 Ų104.931%0.30658%0.578SS.*Hα-helixtrans-71.4-37.9173.400000112.4S190 R195 V196S190-A192 PolarHBondContact O-N 3.06Å; S190-A192 PolarHBondContact OG-N 3.03Å; A192-R195 PolarHBondContact O-N 3.21Å; A192-V196 VanDerWaalsContact O-CG2 3.25Å; A192-V196 WeakPolarHBondContact O-CG2 3.35Å; A192-V196 PolarHBondContact O-N 3.14Å; A192-V196 VanDerWaalsContact O-N 3.13Å
193F32.7Very low30Very low95 Ų95106.6 Ų106.642%0.41758%0.577SS.*Hα-helixtrans-69.3-37.3175.7-152.7-93.8000111.6I189 S190 V196 F197I189-F193 HydrophobicContact CG2-CB 3.75Å; I189-F193 HydrophobicContact CG2-CD1 3.75Å; I189-F193 HydrophobicContact CG2-CG 4.19Å; S190-F193 WeakPolarHBondContact O-CA 3.32Å; S190-F193 VanDerWaalsContact O-CB 3.31Å; S190-F193 WeakPolarHBondContact O-CB 3.19Å; S190-F193 PolarHBondContact O-N 3.07Å; S190-F193 PolarHBondContact OG-N 2.88Å; F193-V196 PolarHBondContact O-N 3.19Å; F193-F197 AromaticContact CD1-CD2 3.93Å; F193-F197 HydrophobicContact CD1-CD2 3.93Å; F193-F197 AromaticContact CD1-CE2 3.9Å; F193-F197 HydrophobicContact CD1-CE2 3.9Å; F193-F197 AromaticContact CE1-CD2 3.95Å; F193-F197 HydrophobicContact CE1-CD2 3.95Å; F193-F197 AromaticContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CE2 3.42Å; F193-F197 VanDerWaalsContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CZ 4.47Å; F193-F197 HydrophobicContact CZ-CE2 4.13Å; F193-F197 PolarHBondContact O-N 2.89Å
194R32.6Very low30.7Very low163 Ų163106.4 Ų106.462%0.61558%0.576SS**Hα-helixtrans-64.4-42.8173.2-158.5178-166.2157.66.3112.4I189 S190 V196 F197 E198I189-R194 HydrophobicContact CG2-CB 4.24Å; S190-R194 PolarHBondContact O-N 3.24Å; R194-V196 VanDerWaalsContact C-N 3.29Å; R194-V196 PolarHBondContact O-N 3.38Å; R194-F197 PolarHBondContact O-N 3.48Å; R194-E198 IonicContact NE-OE1 3.48Å; R194-E198 WeakPolarHBondContact O-CB 3.04Å; R194-E198 WeakPolarHBondContact O-CG 3.43Å; R194-E198 PolarHBondContact O-N 3.25Å
195R31.8Very low31.5Very low169 Ų169106.5 Ų106.564%0.63856%0.564SS**Hα-helixtrans-63.2-32.7173.7-75.1-179.4-157.5-1774.8113.4P191 A192 K199P191-R195 WeakPolarHBondContact O-CG 3.33Å; P191-R195 PolarHBondContact O-N 3.22Å; P191-R195 VanDerWaalsContact O-N 3.12Å; A192-R195 PolarHBondContact O-N 3.21Å; R195-K199 VanDerWaalsContact O-CB 3.27Å; R195-K199 WeakPolarHBondContact O-CB 3.15Å; R195-K199 PolarHBondContact O-N 2.96Å
196V33.3Very low32Very low28 Ų2899 Ų9917%0.1754%0.535CS..Hα-helixtrans-67.9-49.3175.71700000109.4A192 F193 R194 K199 Y200 Y219A192-V196 VanDerWaalsContact O-CG2 3.25Å; A192-V196 WeakPolarHBondContact O-CG2 3.35Å; A192-V196 PolarHBondContact O-N 3.14Å; A192-V196 VanDerWaalsContact O-N 3.13Å; F193-V196 PolarHBondContact O-N 3.19Å; R194-V196 VanDerWaalsContact C-N 3.29Å; R194-V196 PolarHBondContact O-N 3.38Å; V196-K199 PolarHBondContact O-N 2.93Å; V196-Y200 HydrophobicContact CG1-CD2 3.74Å; V196-Y200 HydrophobicContact CG1-CE2 3.7Å; V196-Y200 WeakPolarHBondContact O-CD2 3.34Å; V196-Y200 PolarHBondContact O-N 3.32Å; V196-Y219 HydrophobicContact CG2-CD1 4.27Å; V196-Y219 HydrophobicContact CG2-CE1 4.07Å
197F34.3Very low32.5Very low117 Ų117102 Ų10251%0.51354%0.542SS..Hα-helixtrans-59.7-48.8173.8-91.5-92.3000112.2F193 R194 K199 Y200 E201F193-F197 AromaticContact CD1-CD2 3.93Å; F193-F197 HydrophobicContact CD1-CD2 3.93Å; F193-F197 AromaticContact CD1-CE2 3.9Å; F193-F197 HydrophobicContact CD1-CE2 3.9Å; F193-F197 AromaticContact CE1-CD2 3.95Å; F193-F197 HydrophobicContact CE1-CD2 3.95Å; F193-F197 AromaticContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CE2 3.42Å; F193-F197 VanDerWaalsContact CE1-CE2 3.42Å; F193-F197 HydrophobicContact CE1-CZ 4.47Å; F193-F197 HydrophobicContact CZ-CE2 4.13Å; F193-F197 PolarHBondContact O-N 2.89Å; R194-F197 PolarHBondContact O-N 3.48Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 2.99Å; F197-Y200 CarbonylContact O-C 3.55Å; F197-Y200 PolarHBondContact O-N 3.35Å; F197-E201 WeakPolarHBondContact O-CB 3.37Å; F197-E201 PolarHBondContact O-N 3.1Å
198E33.3Very low32.9Very low94 Ų9499.1 Ų99.144%0.43951%0.514SS..Hα-helixtrans-59.3-35.6177.8-77.1170176.900112.9R194 N202R194-E198 IonicContact NE-OE1 3.48Å; R194-E198 WeakPolarHBondContact O-CB 3.04Å; R194-E198 WeakPolarHBondContact O-CG 3.43Å; R194-E198 PolarHBondContact O-N 3.25Å; E198-N202 PolarHBondContact O-N 2.96Å
199K34.3Very low33.3Very low55 Ų55104.8 Ų104.824%0.23953%0.526CS..Hα-helixtrans-70.2-32.7173.5-172.7-178.9-167.2160.20113.1R195 V196 F197 P203 V208 F211R195-K199 VanDerWaalsContact O-CB 3.27Å; R195-K199 WeakPolarHBondContact O-CB 3.15Å; R195-K199 PolarHBondContact O-N 2.96Å; V196-K199 PolarHBondContact O-N 2.93Å; F197-K199 VanDerWaalsContact C-N 3.29Å; F197-K199 PolarHBondContact O-N 2.99Å; K199-P203 WeakPolarHBondContact O-CA 3.46Å; K199-V208 HydrophobicContact CB-CG2 4.34Å; K199-V208 HydrophobicContact CD-CB 4.07Å; K199-V208 HydrophobicContact CD-CG1 3.85Å; K199-V208 HydrophobicContact CD-CG2 3.99Å; K199-V208 HydrophobicContact CG-CB 4.49Å; K199-V208 HydrophobicContact CG-CG2 3.94Å; K199-F211 HydrophobicContact CD-CD2 3.91Å; K199-F211 HydrophobicContact CD-CE2 3.36Å; K199-F211 HydrophobicContact CD-CZ 4.31Å
200Y34.7Very low33.6Very low187 Ų187105.7 Ų105.773%0.73354%0.537SS*.Hα-helixtrans-81.9-29.1177.6-82.9-70.7000112.7V196 F197V196-Y200 HydrophobicContact CG1-CD2 3.74Å; V196-Y200 HydrophobicContact CG1-CE2 3.7Å; V196-Y200 WeakPolarHBondContact O-CD2 3.34Å; V196-Y200 PolarHBondContact O-N 3.32Å; F197-Y200 CarbonylContact O-C 3.55Å; F197-Y200 PolarHBondContact O-N 3.35Å
201E31.3Very low33.9Very low107 Ų107105.7 Ų105.750%0.553%0.529SS..Hα-helixtrans-82.2-39.2177.5-117.8166.1-171.400112.1H86 F197H86-E201 WeakPolarHBondContact CE1-CG 3.35Å; F197-E201 WeakPolarHBondContact O-CB 3.37Å; F197-E201 PolarHBondContact O-N 3.1Å
202N33.8Very low34.2Very low71 Ų71103.5 Ų103.538%0.3852%0.516SS..  trans-133.279.4179.3-86.2-54.9000111.5E198 E204 S205E198-N202 PolarHBondContact O-N 2.96Å; N202-E204 PolarHBondContact O-N 3.47Å; N202-S205 WeakPolarHBondContact CB-OG 3.38Å; N202-S205 PolarHBondContact O-N 3.02Å; N202-S205 VanDerWaalsContact O-N 3.12Å; N202-S205 PolarHBondContact O-OG 3.03Å
203P33.6Very low34.1Very low102 Ų102108.8 Ų108.866%0.66254%0.539SS*.THydrogen-bonded Turntrans-61.4-17.8179.324.2-33.1000113.5K199K199-P203 WeakPolarHBondContact O-CA 3.46Å
204E39.6Very low33.9Very low192 Ų192107.7 Ų107.790%0.89754%0.544SS*.THydrogen-bonded Turntrans-95.9-18.3178.8-59.4-170.9170.300114N202N202-E204 PolarHBondContact O-N 3.47Å
205S40.3Very low33.7Very low83 Ų83104 Ų10458%0.5853%0.533SS*.THydrogen-bonded Turntrans-87.2-13.5-17376.40000114N202N202-S205 WeakPolarHBondContact CB-OG 3.38Å; N202-S205 PolarHBondContact O-N 3.02Å; N202-S205 VanDerWaalsContact O-N 3.12Å; N202-S205 PolarHBondContact O-OG 3.03Å
206A34.6Very low33.5Very low36 Ų3698.3 Ų98.330%0.29852%0.52SS..  trans-114.7118-175.400000108V208A206-V208 HydrophobicContact CB-CB 4.49Å; A206-V208 HydrophobicContact CB-CG2 3.11Å; A206-V208 PolarHBondContact O-N 2.97Å
207N34.1Very low33.1Very low171 Ų171103.9 Ų103.991%0.91454%0.539SS*.  trans-61.353.6160.2-82.7-28.2000109E209N207-E209 PolarHBondContact O-N 3.49Å
208V32.7Very low32.8Very low49 Ų49104 Ų10430%0.29754%0.541SS..  trans-79.687.1-179.5-156.80000105.3K199 A206 T210 F211K199-V208 HydrophobicContact CB-CG2 4.34Å; K199-V208 HydrophobicContact CD-CB 4.07Å; K199-V208 HydrophobicContact CD-CG1 3.85Å; K199-V208 HydrophobicContact CD-CG2 3.99Å; K199-V208 HydrophobicContact CG-CB 4.49Å; K199-V208 HydrophobicContact CG-CG2 3.94Å; A206-V208 HydrophobicContact CB-CB 4.49Å; A206-V208 HydrophobicContact CB-CG2 3.11Å; A206-V208 PolarHBondContact O-N 2.97Å; V208-T210 PolarHBondContact O-N 3.39Å; V208-F211 HydrophobicContact CG1-CE2 4.15Å; V208-F211 HydrophobicContact CG1-CZ 4.14Å
209E32.5Very low32.6Very low173 Ų173103.6 Ų103.681%0.80854%0.536SS*.  trans-19.1112.6143.6-68.7-179156.300108N207 F211N207-E209 PolarHBondContact O-N 3.49Å; E209-F211 PolarHBondContact O-N 3.42Å
210T35.1Very low32.4Very low135 Ų135107.5 Ų107.583%0.82856%0.555SS**  trans-37.8113.4177.536.60000108.6V208 S212V208-T210 PolarHBondContact O-N 3.39Å; T210-S212 PolarHBondContact O-N 2.91Å; T210-S212 VanDerWaalsContact O-N 3.1Å
211F33.8Very low32Very low61 Ų61105.5 Ų105.527%0.26855%0.546SS..  trans-50.4126.9173.5-79.5-59.8000106.2K199 V208 E209 E215 Y219K199-F211 HydrophobicContact CD-CD2 3.91Å; K199-F211 HydrophobicContact CD-CE2 3.36Å; K199-F211 HydrophobicContact CD-CZ 4.31Å; V208-F211 HydrophobicContact CG1-CE2 4.15Å; V208-F211 HydrophobicContact CG1-CZ 4.14Å; E209-F211 PolarHBondContact O-N 3.42Å; F211-E215 WeakPolarHBondContact CA-OE2 3.44Å; F211-E215 HydrophobicContact CB-CB 4.19Å; F211-E215 HydrophobicContact CD1-CB 4.02Å; F211-E215 HydrophobicContact CG-CB 4.45Å; F211-Y219 HydrophobicContact CE1-CE2 4.42Å
212S36.6Very low31.7Very low49 Ų49103.5 Ų103.534%0.34354%0.544SS..  trans-55.4146.217358.90000108.4T210 S214 E215 S216T210-S212 PolarHBondContact O-N 2.91Å; T210-S212 VanDerWaalsContact O-N 3.1Å; S212-S214 WeakPolarHBondContact CB-OG 3.01Å; S212-S214 PolarHBondContact O-N 2.87Å; S212-S214 PolarHBondContact OG-OG 3.36Å; S212-E215 PolarHBondContact N-OE2 2.78Å; S212-E215 PolarHBondContact O-N 3.49Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 2.97Å; S212-E215 PolarHBondContact OG-OE2 3.17Å; S212-S216 PolarHBondContact O-N 2.95Å
213D30.6Very low31.5Very low147 Ų147106.9 Ų106.979%0.78656%0.555SS**Hα-helixtrans-53.8-21.6176.1-74.3-29.3000112.4S216 Y217D213-S216 PolarHBondContact O-OG 3.2Å; D213-S216 VanDerWaalsContact O-OG 3.11Å; D213-Y217 WeakPolarHBondContact O-CB 3.37Å; D213-Y217 PolarHBondContact O-N 2.84Å
214S29.3Very low31.4Very low73 Ų73105.2 Ų105.251%0.5155%0.546SS..Hα-helixtrans-69.2-37.7171.336.80000113.9S212 H218S212-S214 WeakPolarHBondContact CB-OG 3.01Å; S212-S214 PolarHBondContact O-N 2.87Å; S212-S214 PolarHBondContact OG-OG 3.36Å; S214-H218 PolarHBondContact O-CD2 3.46Å; S214-H218 PolarHBondContact O-N 3.12Å
215E27.9Very low30.9Very low84 Ų84101.3 Ų101.339%0.39353%0.528SS..Hα-helixtrans-73.3-45.5-178.8-75.9165.7141.900111F211 S212 Y217 H218 Y219F211-E215 WeakPolarHBondContact CA-OE2 3.44Å; F211-E215 HydrophobicContact CB-CB 4.19Å; F211-E215 HydrophobicContact CD1-CB 4.02Å; F211-E215 HydrophobicContact CG-CB 4.45Å; S212-E215 PolarHBondContact N-OE2 2.78Å; S212-E215 PolarHBondContact O-N 3.49Å; S212-E215 WeakPolarHBondContact OG-CG 3.46Å; S212-E215 PolarHBondContact OG-N 2.97Å; S212-E215 PolarHBondContact OG-OE2 3.17Å; E215-Y217 VanDerWaalsContact C-N 3.28Å; E215-Y217 PolarHBondContact O-N 3.02Å; E215-H218 PolarHBondContact O-N 3.14Å; E215-H218 VanDerWaalsContact O-N 3.1Å; E215-Y219 HydrophobicContact CB-CE2 4.15Å; E215-Y219 WeakPolarHBondContact O-CD2 3.39Å; E215-Y219 PolarHBondContact O-N 3.12Å
216S27.1Very low30.3Very low51 Ų51102.2 Ų102.236%0.35753%0.525SS..Hα-helixtrans-58.2-38.9176.658.60000112.7S212 D213 H218 Y219 E220S212-S216 PolarHBondContact O-N 2.95Å; D213-S216 PolarHBondContact O-OG 3.2Å; D213-S216 VanDerWaalsContact O-OG 3.11Å; S216-H218 VanDerWaalsContact C-N 3.35Å; S216-H218 PolarHBondContact O-N 3.48Å; S216-Y219 PolarHBondContact O-N 2.87Å; S216-E220 PolarHBondContact O-N 3.1Å; S216-E220 VanDerWaalsContact O-N 3.09Å
217Y26.6Very low30.1Very low144 Ų144103.8 Ų103.857%0.56553%0.534SS*.Hα-helixtrans-63.3-36.8176.2-169.3-98.5000113.1D213 E215 R221D213-Y217 WeakPolarHBondContact O-CB 3.37Å; D213-Y217 PolarHBondContact O-N 2.84Å; E215-Y217 VanDerWaalsContact C-N 3.28Å; E215-Y217 PolarHBondContact O-N 3.02Å; Y217-R221 WeakPolarHBondContact O-CB 3.46Å; Y217-R221 PolarHBondContact O-N 2.89Å
218H27.5Very low30Very low121 Ų121104.5 Ų104.556%0.5652%0.524SS*.Hα-helixtrans-70.1-33.9176.2-84.2-66.4000112.3S214 E215 S216 S222S214-H218 PolarHBondContact O-CD2 3.46Å; S214-H218 PolarHBondContact O-N 3.12Å; E215-H218 PolarHBondContact O-N 3.14Å; E215-H218 VanDerWaalsContact O-N 3.1Å; S216-H218 VanDerWaalsContact C-N 3.35Å; S216-H218 PolarHBondContact O-N 3.48Å; H218-S222 PolarHBondContact O-N 3.01Å; H218-S222 VanDerWaalsContact O-N 3.16Å; H218-S222 PolarHBondContact O-OG 2.97Å
219Y28Very low29.9Very low84 Ų84108 Ų10833%0.32954%0.541SS..Hα-helixtrans-74.7-43.1-180-68.8-66.3000113.3V196 F211 E215 S216 R221 S222 F223V196-Y219 HydrophobicContact CG2-CD1 4.27Å; V196-Y219 HydrophobicContact CG2-CE1 4.07Å; F211-Y219 HydrophobicContact CE1-CE2 4.42Å; E215-Y219 HydrophobicContact CB-CE2 4.15Å; E215-Y219 WeakPolarHBondContact O-CD2 3.39Å; E215-Y219 PolarHBondContact O-N 3.12Å; S216-Y219 PolarHBondContact O-N 2.87Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.32Å; Y219-S222 PolarHBondContact O-N 3.48Å; Y219-F223 PolarHBondContact O-N 3.13Å
220E30Very low29.5Very low137 Ų137103.5 Ų103.564%0.6453%0.533SS*.Hα-helixtrans-61.5-37.9175.6-75.1-174.5166.700112.1S216 S224S216-E220 PolarHBondContact O-N 3.1Å; S216-E220 VanDerWaalsContact O-N 3.09Å; E220-S224 WeakPolarHBondContact O-CB 3.32Å; E220-S224 PolarHBondContact O-N 3.1Å; E220-S224 PolarHBondContact O-OG 2.91Å
221R26.5Very low29.1Very low146 Ų146101.1 Ų101.155%0.55152%0.521SS*.Hα-helixtrans-65.1-42.1176-146.2177-169-171.61.4111.1Y217 Y219 S224 Q225Y217-R221 WeakPolarHBondContact O-CB 3.46Å; Y217-R221 PolarHBondContact O-N 2.89Å; Y219-R221 VanDerWaalsContact C-N 3.27Å; Y219-R221 PolarHBondContact O-N 3.32Å; R221-S224 PolarHBondContact O-N 3.35Å; R221-Q225 VanDerWaalsContact O-CB 3.26Å; R221-Q225 WeakPolarHBondContact O-CB 3.36Å; R221-Q225 PolarHBondContact O-N 3.43Å
222S25.8Very low28.7Very low64 Ų64103.1 Ų103.145%0.44854%0.54SS..Hα-helixtrans-67.2-40.5179.5-56.40000112.4H218 Y219 Q225 L226H218-S222 PolarHBondContact O-N 3.01Å; H218-S222 VanDerWaalsContact O-N 3.16Å; H218-S222 PolarHBondContact O-OG 2.97Å; Y219-S222 PolarHBondContact O-N 3.48Å; S222-Q225 PolarHBondContact O-N 2.7Å; S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 PolarHBondContact O-N 3.16Å
223F29.9Very low28.3Very low142 Ų142109.3 Ų109.362%0.62356%0.561SS**Hα-helixtrans-66.7-44.2176-169.6-93.5000112Y219 Q225 L226 C227Y219-F223 PolarHBondContact O-N 3.13Å; F223-Q225 VanDerWaalsContact C-N 3.34Å; F223-Q225 PolarHBondContact O-N 2.69Å; F223-L226 PolarHBondContact O-N 3.19Å; F223-C227 PolarHBondContact O-N 3.1Å
224S30Very low28.2Very low67 Ų67105.2 Ų105.247%0.46954%0.544SS..Hα-helixtrans-64.9-38.1176.6-55.90000112E220 R221 W228E220-S224 WeakPolarHBondContact O-CB 3.32Å; E220-S224 PolarHBondContact O-N 3.1Å; E220-S224 PolarHBondContact O-OG 2.91Å; R221-S224 PolarHBondContact O-N 3.35Å; S224-W228 WeakPolarHBondContact O-CB 3.35Å; S224-W228 VanDerWaalsContact O-CD1 3.31Å; S224-W228 PolarHBondContact O-N 2.79Å
225Q30.5Very low28.1Very low111 Ų111105.8 Ų105.852%0.51955%0.546SS..Hα-helixtrans-65.9-44.6175.4-151.498.920.200110.9R221 S222 F223 C227 W228 D229R221-Q225 VanDerWaalsContact O-CB 3.26Å; R221-Q225 WeakPolarHBondContact O-CB 3.36Å; R221-Q225 PolarHBondContact O-N 3.43Å; S222-Q225 PolarHBondContact O-N 2.7Å; F223-Q225 VanDerWaalsContact C-N 3.34Å; F223-Q225 PolarHBondContact O-N 2.69Å; Q225-C227 PolarHBondContact O-N 2.72Å; Q225-W228 PolarHBondContact O-N 2.74Å; Q225-W228 VanDerWaalsContact O-N 3.17Å; Q225-D229 WeakPolarHBondContact O-CB 3.26Å; Q225-D229 VanDerWaalsContact O-CG 3.23Å; Q225-D229 PolarHBondContact O-N 2.79Å
226L27Very low28.1Very low101 Ų101109 Ų10953%0.52956%0.559SS.*Hα-helixtrans-60.3-41.9175.3-88.5156.8000112.6S222 F223 D229 A230S222-L226 WeakPolarHBondContact O-CB 3.41Å; S222-L226 PolarHBondContact O-N 3.16Å; F223-L226 PolarHBondContact O-N 3.19Å; L226-D229 PolarHBondContact O-N 3.24Å; L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.84Å
227C30.9Very low28Very low70 Ų70109.7 Ų109.747%0.47357%0.574SS.*Hα-helixtrans-67.9-33.1175-71.60000113.1F223 Q225 C231F223-C227 PolarHBondContact O-N 3.1Å; Q225-C227 PolarHBondContact O-N 2.72Å; C227-C231 WeakPolarHBondContact O-CB 3.44Å; C227-C231 PolarHBondContact O-N 3.06Å
228W31.3Very low28Very low185 Ų185109.3 Ų109.370%0.70158%0.581SS**Hα-helixtrans-72.7-41.8173.9-95.592.8000112.3S224 Q225 A230 C231S224-W228 WeakPolarHBondContact O-CB 3.35Å; S224-W228 VanDerWaalsContact O-CD1 3.31Å; S224-W228 PolarHBondContact O-N 2.79Å; Q225-W228 PolarHBondContact O-N 2.74Å; Q225-W228 VanDerWaalsContact O-N 3.17Å; W228-A230 VanDerWaalsContact C-N 3.34Å; W228-C231 PolarHBondContact O-N 3.22Å
229D30.2Very low27.9Very low122 Ų122107.7 Ų107.765%0.65258%0.581SS**Hα-helixtrans-70.6-31.2178.4-70.5-22.2000111.6Q225 L226 C231Q225-D229 WeakPolarHBondContact O-CB 3.26Å; Q225-D229 VanDerWaalsContact O-CG 3.23Å; Q225-D229 PolarHBondContact O-N 2.79Å; L226-D229 PolarHBondContact O-N 3.24Å; D229-C231 VanDerWaalsContact C-N 3.33Å
230A26Very low27.8Very low79 Ų79112.2 Ų112.265%0.65361%0.606SS**THydrogen-bonded Turntrans-80.8-5.117600000114.3L226 W228 P232L226-A230 WeakPolarHBondContact O-CB 3.38Å; L226-A230 PolarHBondContact O-N 2.84Å; W228-A230 VanDerWaalsContact C-N 3.34Å; A230-P232 WeakPolarHBondContact O-CD 3.42Å
231C26.2Very low27.6Very low85 Ų85113.2 Ų113.257%0.57462%0.615SS**  trans-112.777.1178.9-149.60000111C227 W228 D229 K233C227-C231 WeakPolarHBondContact O-CB 3.44Å; C227-C231 PolarHBondContact O-N 3.06Å; W228-C231 PolarHBondContact O-N 3.22Å; D229-C231 VanDerWaalsContact C-N 3.33Å; C231-K233 PolarHBondContact O-N 3.17Å
232P25.1Very low27.5Very low103 Ų103111.2 Ų111.267%0.66962%0.619SS**  trans-72.3101.1178.830-32.4000108.7A230A230-P232 WeakPolarHBondContact O-CD 3.42Å
233K28.7Very low27.4Very low180 Ų180113.1 Ų113.178%0.78363%0.632SS**  trans83.7107175.9-51.4170.6-178.4175.30114.2C231C231-K233 PolarHBondContact O-N 3.17Å
234S27.6Very low27.1Very low61 Ų61111.3 Ų111.343%0.42763%0.628SS.*  trans-55.7130.9153.3165.40000109.2F236 G237S234-F236 PolarHBondContact O-N 3.32Å; S234-F236 WeakPolarHBondContact OG-CB 3.41Å; S234-F236 PolarHBondContact OG-N 2.64Å; S234-G237 PolarHBondContact O-N 2.86Å
235P28.2Very low26.8Very low85 Ų85119.3 Ų119.355%0.55265%0.648SS**THydrogen-bonded Turntrans-63.4-7.8175.225.6-32.8000112.9W114 G237W114-P235 HydrophobicContact CH2-CG 4.46Å; W114-P235 HydrophobicContact CZ3-CG 4.27Å; P235-G237 VanDerWaalsContact C-N 3.34Å; P235-G237 PolarHBondContact O-N 3.01Å
236F26.5Very low26.6Very low151 Ų151120.1 Ų120.166%0.66266%0.655SS**THydrogen-bonded Turntrans-85.73.1-179.5-66-76000114.9S234 L238S234-F236 PolarHBondContact O-N 3.32Å; S234-F236 WeakPolarHBondContact OG-CB 3.41Å; S234-F236 PolarHBondContact OG-N 2.64Å; F236-L238 HydrophobicContact CB-CD1 4.18Å; F236-L238 HydrophobicContact CB-CG 4.04Å; F236-L238 PolarHBondContact O-N 3.3Å
237G25.2Very low26.4Very low66 Ų66121.6 Ų121.668%0.6867%0.669SS**  trans50.527.917600000113.1S234 P235 P239S234-G237 PolarHBondContact O-N 2.86Å; P235-G237 VanDerWaalsContact C-N 3.34Å; P235-G237 PolarHBondContact O-N 3.01Å; G237-P239 WeakPolarHBondContact O-CD 3.39Å
238L26.1Very low26.1Very low135 Ų135129.6 Ų129.671%0.70769%0.689SS**  trans-66.7113.1-174.9-82166.8000106.3F236 E240F236-L238 HydrophobicContact CB-CD1 4.18Å; F236-L238 HydrophobicContact CB-CG 4.04Å; F236-L238 PolarHBondContact O-N 3.3Å; L238-E240 PolarHBondContact O-N 3.07Å; L238-E240 VanDerWaalsContact O-N 3.14Å
239P26.8Very low25.8Very low87 Ų87126.5 Ų126.557%0.56569%0.693SS**  trans-58.2127178.918.6-24.2000107.5G237 D241 V242G237-P239 WeakPolarHBondContact O-CD 3.39Å; P239-D241 PolarHBondContact O-N 3.13Å; P239-V242 HydrophobicContact CG-CG2 3.95Å
240E25.9Very low25.6Very low180 Ų180132.2 Ų132.284%0.84171%0.705SS**THydrogen-bonded Turntrans-35.9124.8156.5-65.8170.7164.600107.2L238L238-E240 PolarHBondContact O-N 3.07Å; L238-E240 VanDerWaalsContact O-N 3.14Å
241D24.6Very low25.6Very low158 Ų158132.1 Ų132.185%0.84571%0.712SS**THydrogen-bonded Turntrans90.612.9168.5-54.6-31.7000122.7P239 S243P239-D241 PolarHBondContact O-N 3.13Å; D241-S243 PolarHBondContact O-N 3.28Å
242V25Very low25.6Very low104 Ų104135.4 Ų135.463%0.6372%0.722SS**  trans-83.688.7168.8-167.90000112.2P239 I244P239-V242 HydrophobicContact CG-CG2 3.95Å; V242-I244 HydrophobicContact CG1-CG1 4.14Å; V242-I244 PolarHBondContact O-N 3.41Å
243S24Very low25.8Very low103 Ų103135.8 Ų135.872%0.7273%0.725SS**  trans-66.286.8168.2680000111.2D241 R245D241-S243 PolarHBondContact O-N 3.28Å; S243-R245 PolarHBondContact O-N 2.92Å
244I24.4Very low25.8Very low104 Ų104136.9 Ų136.953%0.53373%0.729SS.*  trans-68.3106.4172.8-57161.2000108.1V242 L246 R276V242-I244 HydrophobicContact CG1-CG1 4.14Å; V242-I244 PolarHBondContact O-N 3.41Å; I244-L246 PolarHBondContact O-N 2.75Å; I244-L246 VanDerWaalsContact O-N 3.13Å; I244-R276 VanDerWaalsContact CB-NH2 3.33Å; I244-R276 VanDerWaalsContact CG2-NH2 3.25Å; I244-R276 VanDerWaalsContact O-CZ 3.31Å; I244-R276 PolarHBondContact O-NH1 2.9Å; I244-R276 PolarHBondContact O-NH2 3.31Å
245R23.5Very low25.9Very low235 Ų235139.8 Ų139.889%0.88775%0.747SS**  trans-62.5111.6170.7-75.1-178.3175.2-179.8-0.4108.9S243 T247S243-R245 PolarHBondContact O-N 2.92Å; R245-T247 PolarHBondContact O-N 2.94Å
246L24.4Very low26.3Very low129 Ų129141.4 Ų141.468%0.67576%0.76SS**  trans-66.4114166.2-73.6166.5000107.9I244 R248I244-L246 PolarHBondContact O-N 2.75Å; I244-L246 VanDerWaalsContact O-N 3.13Å; L246-R248 PolarHBondContact O-N 3.43Å
247T24.7Very low26.4Very low132 Ų132143.2 Ų143.281%0.8177%0.771SS**PPolyproline II helixtrans-54.1123.3166.117.30000108.6R245 P249R245-T247 PolarHBondContact O-N 2.94Å; T247-P249 WeakPolarHBondContact O-CD 3.34Å
248R23.3Very low26.7Very low237 Ų237145.4 Ų145.489%0.89477%0.773SS**PPolyproline II helixtrans-55.9125.9174.3-75.3-178.3-178.5174.41.4108.3L246 R250L246-R248 PolarHBondContact O-N 3.43Å; R248-R250 PolarHBondContact O-N 2.96Å
249P25.9Very low26.9Very low121 Ų121146 Ų14679%0.78678%0.782SS**PPolyproline II helixtrans-59132.41698.8-7.1000108.9T247T247-P249 WeakPolarHBondContact O-CD 3.34Å
250R25.1Very low27.1Very low241 Ų241150.3 Ų150.391%0.90980%0.795SS**PPolyproline II helixtrans-57.4144.8175.9-77.1-179.9173.2178.7-1.6109.8R248 I252R248-R250 PolarHBondContact O-N 2.96Å; R250-I252 PolarHBondContact O-N 3.37Å
251G25.4Very low27.2Very low78 Ų78146.8 Ų146.880%0.80479%0.787SS**PPolyproline II helixtrans-50118.3-165.700000115
252I27.6Very low27.4Very low154 Ų154146.9 Ų146.979%0.7979%0.786SS**PPolyproline II helixtrans-77.1126.2161.7-59.9170.3000106.4R250 K254R250-I252 PolarHBondContact O-N 3.37Å; I252-K254 PolarHBondContact O-N 3.09Å
253P28.2Very low27.5Very low111 Ų111147.9 Ų147.972%0.72179%0.792SS**PPolyproline II helixtrans-58.5135.7179.421.9-30.6000110.6P255P253-P255 WeakPolarHBondContact O-CD 3.47Å
254K30Very low27.6Very low202 Ų202152.2 Ų152.288%0.87880%0.798SS**PPolyproline II helixtrans-55.6126173.8-91.7179.9172.1-179.20109.2I252I252-K254 PolarHBondContact O-N 3.09Å
255P29.7Very low27.7Very low123 Ų123153 Ų15380%0.79981%0.81SS**PPolyproline II helixtrans-63140.2161.7-14.228.8000109.4P253P253-P255 WeakPolarHBondContact O-CD 3.47Å
256S35.1Very low27.7Very low119 Ų119148.4 Ų148.483%0.83281%0.808SS**PPolyproline II helixtrans-56.7156.717643.80000113.2
257E29.8Very low27.7Very low189 Ų189152.2 Ų152.288%0.88381%0.813SS**PPolyproline II helixtrans-48.2152.7-162.1-76.5175.9159.700118.5
258P31.3Very low27.7Very low112 Ų112157.8 Ų157.873%0.72782%0.82SS**PPolyproline II helixtrans-87.3139.7-167.535-31.2000113.1E260P258-E260 PolarHBondContact O-N 2.73Å
259V31Very low27.7Very low146 Ų146154.7 Ų154.789%0.88581%0.813SS**PPolyproline II helixtrans-67.5120162.7-178.80000108P261V259-P261 WeakPolarHBondContact O-CD 3.46Å
260E29.7Very low27.6Very low179 Ų179151.5 Ų151.584%0.83680%0.802SS**PPolyproline II helixtrans-54.9126.8-172.9-67.4-177.8145.900113.6P258P258-E260 PolarHBondContact O-N 2.73Å
261P29.6Very low27.5Very low105 Ų105151.9 Ų151.968%0.68280%0.803SS**PPolyproline II helixtrans-89.3117.2155.813.43.4000109.5V259V259-P261 WeakPolarHBondContact O-CD 3.46Å
262I27.5Very low27.5Very low160 Ų160156.8 Ų156.882%0.82180%0.803SS**SBendtrans-50.1137.4164.4-55.8165.2000107.9
263V27.4Very low27.4Very low126 Ų126160.9 Ų160.976%0.76481%0.808SS**SBendtrans93.9108.5179.7-1640000115.8P265V263-P265 VanDerWaalsContact O-CD 3.27Å; V263-P265 WeakPolarHBondContact O-CD 3.34Å
264K25.5Very low27.2Very low194 Ų194166.4 Ų166.484%0.84382%0.815SS**  trans-58115.7173.2-74.4177.2177.4174.60111.2
265P26.4Very low26.9Very low120 Ų120162.1 Ų162.178%0.77981%0.809SS**  trans-85.411316719.3-4.5000109.2V263 R267V263-P265 VanDerWaalsContact O-CD 3.27Å; V263-P265 WeakPolarHBondContact O-CD 3.34Å; P265-R267 PolarHBondContact O-N 3.5Å
266T24Very low26.7Very low139 Ų139162.6 Ų162.685%0.85380%0.795SS**  trans-77.87.4176.639.30000114.2R268T266-R268 PolarHBondContact O-N 3.41Å
267R24.7Very low26.1Very low208 Ų208160.7 Ų160.779%0.78578%0.782SS**  trans-89.297179.2-79-177.7172178.8-2.8111.5P265 F269P265-R267 PolarHBondContact O-N 3.5Å; R267-F269 HydrophobicContact CB-CE2 4.49Å; R267-F269 PolarHBondContact O-N 2.99Å
268R23.8Very low25.9Very low249 Ų249157.8 Ų157.894%0.9478%0.781SS**  trans-65.498161.7-76.6-176.7175.9-171.4-0108.2T266 G270T266-R268 PolarHBondContact O-N 3.41Å; R268-G270 PolarHBondContact O-N 3.48Å
269F25Very low25.5Very low173 Ų173156.3 Ų156.376%0.75978%0.778SS**  trans-61.1105.7166-77-86.2000108.6R267R267-F269 HydrophobicContact CB-CE2 4.49Å; R267-F269 PolarHBondContact O-N 2.99Å
270G22.6Very low25.1Very low53 Ų53156.5 Ų156.555%0.54678%0.779SS.*  trans-58.4141171.400000110.4R268 F272R268-G270 PolarHBondContact O-N 3.48Å; G270-F272 WeakPolarHBondContact O-CD2 3.31Å; G270-F272 PolarHBondContact O-N 2.9Å
271R24.2Very low24.7Very low249 Ų249153.4 Ų153.494%0.9478%0.777SS**  trans-59.3104.8179.5-68.4176.3175-176.7-1.6110.3R273R271-R273 PolarHBondContact O-N 3.49Å
272F25.3Very low24.4Very low181 Ų181153.2 Ų153.279%0.79478%0.776SS**  trans-68112.4171.7-73.1-86.6000110.5G270G270-F272 WeakPolarHBondContact O-CD2 3.31Å; G270-F272 PolarHBondContact O-N 2.9Å
273R23.8Very low24.2Very low240 Ų240151.6 Ų151.691%0.90677%0.773SS**  trans-77114.3162-83.2-177.7172.6-174.4-1.4107.3R271 C275R271-R273 PolarHBondContact O-N 3.49Å; R273-C275 PolarHBondContact O-N 3.32Å
274R25.6Very low24Very low227 Ų227153.2 Ų153.286%0.85778%0.777SS**  trans-63.9116.3-179.9-69.5-178.5175.8-174.6-2.8110.8
275C23.6Very low23.8Very low112 Ų112151.1 Ų151.176%0.75777%0.772SS**  trans-67.7136.8160.5-80.80000109.5R273R273-C275 PolarHBondContact O-N 3.32Å
276R25.2Very low23.6Very low134 Ų134151.8 Ų151.851%0.50678%0.777SS.*SBendtrans-99.218.9-162.4-135.3-175.2-168.1142.3-0.5114.7I244I244-R276 VanDerWaalsContact CB-NH2 3.33Å; I244-R276 VanDerWaalsContact CG2-NH2 3.25Å; I244-R276 VanDerWaalsContact O-CZ 3.31Å; I244-R276 PolarHBondContact O-NH1 2.9Å; I244-R276 PolarHBondContact O-NH2 3.31Å
277S23.2Very low23.5Very low79 Ų79149.1 Ų149.155%0.55278%0.778SS**SBendtrans-128.512.1-170.942.90000115.1
278C23.9Very low23.4Very low128 Ų128149 Ų14987%0.86579%0.786SS**SBendtrans-13125.1172.4-52.30000113.3
279A23.3Very low23.4Very low81 Ų81140.5 Ų140.567%0.66978%0.776SS**  trans-143.481.2-17600000112.5
280V22.3Very low23.4Very low150 Ų150142 Ų14291%0.90978%0.782SS**  trans-125.589.8154-169.80000103.9
281S22.6Very low23.3Very low113 Ų113144.6 Ų144.679%0.7980%0.798SS**  -161.6107.997.6177.20000110
282P22.6Very low23.2Very low101 Ų101136 Ų13666%0.65679%0.787SS**SBendtrans-116.2114.8154.931.5-17.2000107.7
283V24Very low23.1Very low126 Ų126135.4 Ų135.476%0.76479%0.791SS**  trans61.279.4145.5-170.50000113.6M285V283-M285 VanDerWaalsContact C-N 3.33Å; V283-M285 PolarHBondContact O-N 3.46Å
284L22.2Very low23.1Very low161 Ų161133.4 Ų133.484%0.84379%0.792SS**  trans-80.795.2139.7-83.1166.5000107.2
285M22.5Very low23Very low150 Ų150127.2 Ų127.274%0.73979%0.789SS**  trans63.1107.9141.4-49.1-154.4-167.800119.2V283V283-M285 VanDerWaalsContact C-N 3.33Å; V283-M285 PolarHBondContact O-N 3.46Å
286C21.2Very low22.9Very low133 Ų133130.7 Ų130.790%0.89979%0.794SS**  trans43.8109.8130.2-580000119.1
287G22.6Very low22.8Very low83 Ų83129.6 Ų129.686%0.85681%0.805SS**  trans-174.9106.6161.200000112.1
288E22.6Very low22.9Very low205 Ų205134 Ų13496%0.95882%0.822SS**  trans-62.9150.8179.4-57.2172.1146.300112.6
289G23.3Very low22.9Very low71 Ų71131.6 Ų131.673%0.73282%0.819SS**  trans148.786.8154.500000119.7
290K24.4Very low23Very low206 Ų206132.1 Ų132.190%0.89682%0.823SS**  trans52102.9134.5-63.6-178.8178.4177.30121.2
291A21.7Very low23.2Very low106 Ų106131.6 Ų131.688%0.87682%0.82SS**  32.5119.7122.100000120.9
292G21.5Very low23.4Very low69 Ų69134.6 Ų134.671%0.71182%0.819SS**  trans97.5106.1140.400000116.3
293I23.9Very low23.7Very low169 Ų169133.7 Ų133.787%0.86781%0.809SS**  trans-169.3122.2143.7-85.4137.6000107.3
294Q22.7Very low23.9Very low198 Ų198132.8 Ų132.893%0.92582%0.815SS**  trans-79.4132.8167.7-74.9173.8-23.100109.1
295A23.1Very low24.2Very low97 Ų97131.7 Ų131.780%0.80281%0.81SS**  trans-126.9116.8167.300000109.8
296Q22.7Very low24.4Very low184 Ų184127.7 Ų127.786%0.8681%0.808SS**  trans-76.4156.7177.1-87.5-173.8-12.900112.2
297P23Very low24.8Very low112 Ų112128.2 Ų128.273%0.72780%0.797SS**  trans-84.7126-175.933.4-28.5000109.8
298N24.4Very low25.2Very low171 Ų171132 Ų13291%0.91479%0.789SS**  trans-166.9123.9157.1-92.6-27000112.7
299G24.8Very low25.6Very low78 Ų78127.2 Ų127.280%0.80478%0.779SS**  trans78.592.2136.100000119
300A25.5Very low25.9Very low92 Ų92128 Ų12876%0.7678%0.778SS**  trans-127.494.7150.500000108.7
301T25.4Very low26Very low138 Ų138128.1 Ų128.185%0.84778%0.779SS**PPolyproline II helixtrans-87.7123.9171.735.30000109.5
302F27.2Very low26.2Very low176 Ų176126.5 Ų126.577%0.77277%0.766SS**PPolyproline II helixtrans-84.7130.7167-70.2-92.4000108.8
303N30Very low26.4Very low82 Ų82128.3 Ų128.344%0.43976%0.759SS.*PPolyproline II helixtrans-77.8152.1174.149.7-4.6000110.8N305 G306 E307N303-N305 PolarHBondContact O-N 3.13Å; N303-G306 PolarHBondContact O-N 2.95Å; N303-G306 VanDerWaalsContact O-N 3.12Å; N303-E307 PolarHBondContact OD1-O 2.67Å; N303-E307 VanDerWaalsContact OD1-O 3.07Å
304A27.1Very low26.6Very low108 Ų108126.4 Ų126.489%0.89375%0.749SS**THydrogen-bonded Turntrans-60-5.9-173.700000115.5
305N29.1Very low26.8Very low137 Ų137127.2 Ų127.273%0.73375%0.745SS**THydrogen-bonded Turntrans-103.94-178.5-62.2-0.1000113.4N303 E307N303-N305 PolarHBondContact O-N 3.13Å; N305-E307 PolarHBondContact O-N 2.88Å; N305-E307 VanDerWaalsContact O-N 3.13Å
306G26Very low27Very low67 Ų67130.8 Ų130.869%0.69174%0.743SS**  trans68.79.7173.700000115.8N303N303-G306 PolarHBondContact O-N 2.95Å; N303-G306 VanDerWaalsContact O-N 3.12Å
307E29.1Very low27Very low143 Ų143129 Ų12967%0.66874%0.738SS**  trans-86121.2178.7-75.1-174.1154.700111.7N303 N305 S309N303-E307 PolarHBondContact OD1-O 2.67Å; N303-E307 VanDerWaalsContact OD1-O 3.07Å; N305-E307 PolarHBondContact O-N 2.88Å; N305-E307 VanDerWaalsContact O-N 3.13Å; E307-S309 PolarHBondContact O-N 3.47Å
308K32.2Very low27.2Very low162 Ų162131.7 Ų131.770%0.70473%0.734SS**  trans-58105.9174.5-75.9179176.5175.70110E132 A310E132-K308 IonicContact OE1-NZ 2.92Å; E132-K308 PolarHBondContact OE1-NZ 3.12Å; K308-A310 PolarHBondContact O-N 3.24Å
309S30.5Very low27.3Very low106 Ų106134 Ų13474%0.74173%0.73SS**  trans-60.3122.1166.4171.80000109.9E307 K311E307-S309 PolarHBondContact O-N 3.47Å; S309-K311 PolarHBondContact O-N 3.29Å
310A28.8Very low27.4Very low87 Ų87134.6 Ų134.672%0.71974%0.736SS**  trans-67.4115179.800000111.6K308K308-A310 PolarHBondContact O-N 3.24Å
311K26.3Very low27.5Very low208 Ų208134.9 Ų134.990%0.90473%0.728SS**  trans157.6129.5155.5-90.6159-175-175.30107.7S309S309-K311 PolarHBondContact O-N 3.29Å
312A26Very low27.8Very low72 Ų72131.6 Ų131.660%0.59571%0.709SS**  cis-165.3135.60.800000107.1I314A312-I314 VanDerWaalsContact C-N 3.34Å; A312-I314 PolarHBondContact O-N 3.13Å
313D27.6Very low28.3Very low107 Ų107127.2 Ų127.257%0.57269%0.693SS**  trans42.534.1143.4-71.9-38000120.8Y315 K316D313-Y315 PolarHBondContact O-N 3.45Å; D313-K316 PolarHBondContact O-N 2.96Å; D313-K316 VanDerWaalsContact O-N 3.16Å
314I26.7Very low28.4Very low129 Ų129127.7 Ų127.766%0.66270%0.701SS**G310 helixtrans-66-19.3174.4-70.3172.3000112.3A312 K316A312-I314 VanDerWaalsContact C-N 3.34Å; A312-I314 PolarHBondContact O-N 3.13Å; I314-K316 VanDerWaalsContact C-N 3.35Å
315Y26.6Very low29Very low215 Ų215126.7 Ų126.784%0.84368%0.684SS**G310 helixtrans-78.3-12.6175.8-71.2-77.1000114.5D313D313-Y315 PolarHBondContact O-N 3.45Å
316K28.1Very low30Very low172 Ų172126.1 Ų126.175%0.74868%0.675SS**G310 helixtrans-97.1-0178-80.4-178.4177.31700114.6D313 I314D313-K316 PolarHBondContact O-N 2.96Å; D313-K316 VanDerWaalsContact O-N 3.16Å; I314-K316 VanDerWaalsContact C-N 3.35Å
317L23.1Very low30.9Very low147 Ų147127.8 Ų127.877%0.7767%0.665SS**SBendtrans-122.89.5-162.5-84.8167.8000116.8
318R27Very low31.3Very low169 Ų169127.1 Ų127.164%0.63866%0.662SS**SBendtrans-116.9-24.3-167.4-116.5179.8-167.6-168.77119.3
319W26.2Very low32.2Very low220 Ų220125.9 Ų125.983%0.83366%0.658SS**  trans-153134.1178.8-64.180.1000109.3V321W319-V321 HydrophobicContact CB-CB 4.12Å; W319-V321 HydrophobicContact CB-CG2 3.61Å; W319-V321 HydrophobicContact CG-CG2 4.46Å; W319-V321 PolarHBondContact O-N 3.3Å
320G26.7Very low33.3Very low89 Ų89127.4 Ų127.492%0.91865%0.654SS**  trans-68.438.1167.200000112.5P322G320-P322 WeakPolarHBondContact O-CD 3.28Å
321V28.3Very low34.2Very low99 Ų99130.3 Ų130.360%0.665%0.646SS**  trans-85.6113.3176.4172.70000105.6W319W319-V321 HydrophobicContact CB-CB 4.12Å; W319-V321 HydrophobicContact CB-CG2 3.61Å; W319-V321 HydrophobicContact CG-CG2 4.46Å; W319-V321 PolarHBondContact O-N 3.3Å
322P32Very low35Very low68 Ų68125.5 Ų125.544%0.44263%0.625SS.*  trans-59.2142.4173.3-17.732.2000108.6G320 Q327G320-P322 WeakPolarHBondContact O-CD 3.28Å; P322-Q327 HydrophobicContact CB-CG 3.86Å; P322-Q327 HydrophobicContact CG-CG 4.44Å; P322-Q327 VanDerWaalsContact CG-NE2 3.34Å
323D36.6Very low36.6Very low84 Ų84128.6 Ų128.645%0.44963%0.632SS.*  trans-47.2121.3174.4-169.2-25.9000109.8T325 K326 Q327D323-T325 PolarHBondContact O-N 2.94Å; D323-T325 VanDerWaalsContact O-N 3.12Å; D323-T325 PolarHBondContact OD1-N 3.42Å; D323-T325 PolarHBondContact OD1-OG1 3.25Å; D323-K326 HydrophobicContact CB-CB 4.18Å; D323-K326 HydrophobicContact CB-CD 4.37Å; D323-K326 HydrophobicContact CB-CG 4.18Å; D323-K326 WeakPolarHBondContact O-CA 3.18Å; D323-K326 WeakPolarHBondContact O-CB 3.34Å; D323-K326 PolarHBondContact O-N 2.99Å; D323-Q327 PolarHBondContact O-N 2.97Å; D323-Q327 VanDerWaalsContact O-N 3.13Å
324P33.1Very low38Very low93 Ų93131.4 Ų131.460%0.60464%0.639SS**Hα-helixtrans-58.9-27.2-175.320.6-31.2000112.3Q327 E328P324-Q327 PolarHBondContact O-N 3.43Å; P324-E328 PolarHBondContact O-N 3.36Å
325T38.6Very low39.1Very low86 Ų86131 Ų13153%0.52863%0.634SS.*Hα-helixtrans-69.9-32.6173.957.70000112.9D323 E329D323-T325 PolarHBondContact O-N 2.94Å; D323-T325 VanDerWaalsContact O-N 3.12Å; D323-T325 PolarHBondContact OD1-N 3.42Å; D323-T325 PolarHBondContact OD1-OG1 3.25Å; T325-E329 PolarHBondContact O-N 3.33Å
326K51Low39.8Very low125 Ų125128 Ų12854%0.54363%0.628SS.*Hα-helixtrans-76.2-29.9174.3-76.3-171.3172.3-173.30113.3D323 E330D323-K326 HydrophobicContact CB-CB 4.18Å; D323-K326 HydrophobicContact CB-CD 4.37Å; D323-K326 HydrophobicContact CB-CG 4.18Å; D323-K326 WeakPolarHBondContact O-CA 3.18Å; D323-K326 WeakPolarHBondContact O-CB 3.34Å; D323-K326 PolarHBondContact O-N 2.99Å; K326-E330 WeakPolarHBondContact O-CB 3.4Å; K326-E330 WeakPolarHBondContact O-CG 3.26Å; K326-E330 PolarHBondContact O-N 3.34Å
327Q44Very low40.4Very low102 Ų102129.4 Ų129.448%0.47765%0.651SS.*Hα-helixtrans-69.8-34.9175.7-70.5-163.8-21.600112.2P322 D323 P324 W331P322-Q327 HydrophobicContact CB-CG 3.86Å; P322-Q327 HydrophobicContact CG-CG 4.44Å; P322-Q327 VanDerWaalsContact CG-NE2 3.34Å; D323-Q327 PolarHBondContact O-N 2.97Å; D323-Q327 VanDerWaalsContact O-N 3.13Å; P324-Q327 PolarHBondContact O-N 3.43Å; Q327-W331 WeakPolarHBondContact O-CB 3.45Å; Q327-W331 PolarHBondContact O-N 3.01Å
328E39Very low41.3Very low130 Ų130128.5 Ų128.561%0.60765%0.645SS**Hα-helixtrans-68-45.5173.7-107178.416300111.7P324 W331 F332P324-E328 PolarHBondContact O-N 3.36Å; E328-W331 PolarHBondContact O-N 3.44Å; E328-F332 WeakPolarHBondContact O-CD2 3.39Å; E328-F332 PolarHBondContact O-N 3.35Å
329E50.8Low42Very low136 Ų136126.4 Ų126.464%0.63665%0.646SS**Hα-helixtrans-61.5-47174.9-77-178.1158.700112.2T325 W331 F332 D333T325-E329 PolarHBondContact O-N 3.33Å; E329-W331 VanDerWaalsContact C-N 3.29Å; E329-W331 PolarHBondContact O-N 3.33Å; E329-F332 PolarHBondContact O-N 3.33Å; E329-D333 PolarHBondContact O-N 3.4Å
330E53Low42.9Very low137 Ų137121.2 Ų121.264%0.6464%0.635SS**Hα-helixtrans-66.2-28.3177.7-77.6-178.1176.400113.1K326 K334K326-E330 WeakPolarHBondContact O-CB 3.4Å; K326-E330 WeakPolarHBondContact O-CG 3.26Å; K326-E330 PolarHBondContact O-N 3.34Å; E330-K334 VanDerWaalsContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CB 3.39Å; E330-K334 PolarHBondContact O-N 3.46Å
331W46.9Very low43.9Very low149 Ų149123.1 Ų123.156%0.56462%0.618SS**Hα-helixtrans-76.1-41.3175.5-173.289.1000111.7Q327 E328 E329 K334 H335Q327-W331 WeakPolarHBondContact O-CB 3.45Å; Q327-W331 PolarHBondContact O-N 3.01Å; E328-W331 PolarHBondContact O-N 3.44Å; E329-W331 VanDerWaalsContact C-N 3.29Å; E329-W331 PolarHBondContact O-N 3.33Å; W331-K334 PolarHBondContact O-N 3.3Å; W331-H335 AromaticContact CE2-CD2 3.55Å; W331-H335 AromaticContact CZ2-CD2 3.82Å; W331-H335 AromaticContact NE1-CD2 3.51Å; W331-H335 AromaticContact NE1-NE2 3.72Å; W331-H335 PolarHBondContact O-N 3.4Å
332F43.2Very low44.9Very low106 Ų106124.6 Ų124.647%0.46562%0.62SS.*Hα-helixtrans-65.5-43.8176.2-95-78.3000112.5E328 E329 K334 H335 Q336E328-F332 WeakPolarHBondContact O-CD2 3.39Å; E328-F332 PolarHBondContact O-N 3.35Å; E329-F332 PolarHBondContact O-N 3.33Å; F332-K334 VanDerWaalsContact C-N 3.26Å; F332-K334 PolarHBondContact O-N 3.13Å; F332-H335 PolarHBondContact O-N 3.28Å; F332-Q336 PolarHBondContact O-N 3.01Å
333D60Low45.7Very low137 Ų137128.3 Ų128.373%0.73363%0.632SS**Hα-helixtrans-63.7-30.9177.6-91.8-7.7000112.8E329E329-D333 PolarHBondContact O-N 3.4Å
334K57Low46.4Very low166 Ų166131.5 Ų131.572%0.72265%0.645SS**Hα-helixtrans-83.5-12.5-176.7-150.5171.9-174.1173.40113.5E330 W331 F332E330-K334 VanDerWaalsContact O-CB 3.31Å; E330-K334 WeakPolarHBondContact O-CB 3.39Å; E330-K334 PolarHBondContact O-N 3.46Å; W331-K334 PolarHBondContact O-N 3.3Å; F332-K334 VanDerWaalsContact C-N 3.26Å; F332-K334 PolarHBondContact O-N 3.13Å
335H51Low47.4Very low121 Ų121134.5 Ų134.556%0.5665%0.648SS**SBendtrans-127.415.4-171.9-68.2-10.4000114W331 F332W331-H335 AromaticContact CE2-CD2 3.55Å; W331-H335 AromaticContact CZ2-CD2 3.82Å; W331-H335 AromaticContact NE1-CD2 3.51Å; W331-H335 AromaticContact NE1-NE2 3.72Å; W331-H335 PolarHBondContact O-N 3.4Å; F332-H335 PolarHBondContact O-N 3.28Å
336Q41.3Very low48.1Very low151 Ų151138.5 Ų138.571%0.70666%0.658SS**  trans-10119176.2-94.2-165.7-0.400115.7F332F332-Q336 PolarHBondContact O-N 3.01Å
337T40.4Very low47.9Very low202 Ų202139.7 Ų139.7100%1.23967%0.668SS**  trans-101.40174.835.50000115.1

Retrieved 337 of 337 residues in 393.3 ms (Link to these results)