A0A087YF35_POEFO Loading...

Fatty acyl-CoA reductase

Catalyzes the reduction of fatty acyl-CoA to fatty alcohols. Catalyzes the reduction of saturated and unsaturated C16 or C18 fatty acyl-CoA to fatty alcohols. It plays an essential role in the production of ether lipids/plasmalogens which synthesis requires fatty alcohols. In parallel, it is also required for wax monoesters production since fatty alcohols also constitute a substrate for their synthesis.

AlphaFold DB , UniProt , Accession A0A087YF35, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 549 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
1M50.3Low53.1Low214 Ų214120.5 Ų120.5100%1.05464%0.642SS**  012.60-144.4173.1-174.200112.8
2S50.6Low54Low105 Ų105118.8 Ų118.873%0.73463%0.634SS**  trans-117.5-0.5-17642.90000114
3T50.3Low54.9Low108 Ų108122.5 Ų122.566%0.66363%0.634SS**SBendtrans-100.7-30.7179.438.30000113.2F5T3-F5 VanDerWaalsContact C-N 3.34Å; T3-F5 PolarHBondContact O-N 3.45Å
4E50.9Low55.5Low158 Ų158121 Ų12174%0.73863%0.626SS**Hα-helixtrans-75.2-18.6178.7-72.6173.1159.300113.9
5F48.8Very low56.1Low168 Ų168121.4 Ų121.474%0.73762%0.624SS**Hα-helixtrans-82.4-19.6179.5-114.4-88.4000113.6T3T3-F5 VanDerWaalsContact C-N 3.34Å; T3-F5 PolarHBondContact O-N 3.45Å
6S50.9Low56.5Low70 Ų70121.3 Ų121.349%0.4962%0.62SS.*Hα-helixtrans-84.2-35.7-179.3-173.20000112.2
7E53.9Low56.9Low142 Ų142121.5 Ų121.566%0.66462%0.618SS**Hα-helixtrans-71.8-33.1-178.4-73.2-179.816000112.3L11E7-L11 WeakPolarHBondContact O-CG 3.5Å; E7-L11 PolarHBondContact O-N 3.37Å
8G54.4Low57.2Low33 Ų33121.9 Ų121.934%0.3462%0.617SS.*Hα-helixtrans-67.8-34.8176.700000113.8D12G8-D12 PolarHBondContact O-N 3.25Å
9Q55.5Low57.3Low134 Ų134122.6 Ų122.663%0.62662%0.618SS**Hα-helixtrans-75.5-27.7179.8-72.3-171.7-30.400113.6R13Q9-R13 PolarHBondContact O-N 3.18Å
10D58.6Low57Low91 Ų91123.3 Ų123.349%0.48762%0.618SS.*Hα-helixtrans-78.4-32.5174.6-85.4-23.3000111.7L14D10-L14 WeakPolarHBondContact O-CB 3.36Å; D10-L14 WeakPolarHBondContact O-CD1 3.22Å; D10-L14 VanDerWaalsContact O-CG 3.22Å; D10-L14 WeakPolarHBondContact O-CG 3.45Å; D10-L14 PolarHBondContact O-N 3.35Å
11L59.7Low56.9Low102 Ų102123.9 Ų123.953%0.53462%0.617SS.*Hα-helixtrans-67.2-46.1173.9-78.3162.5000112.1E7 R13 L14 E15E7-L11 WeakPolarHBondContact O-CG 3.5Å; E7-L11 PolarHBondContact O-N 3.37Å; L11-R13 VanDerWaalsContact C-N 3.27Å; L11-R13 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.18Å; L11-E15 PolarHBondContact O-N 2.79Å
12D64Low57Low101 Ų101120 Ų12054%0.5460%0.597SS.*Hα-helixtrans-62.1-36177.4-72.1-18000111.7G8 E16G8-D12 PolarHBondContact O-N 3.25Å; D12-E16 WeakPolarHBondContact O-CB 3.44Å; D12-E16 WeakPolarHBondContact O-CG 3.47Å; D12-E16 PolarHBondContact O-N 3.3Å
13R65.6Low56.9Low167 Ų167118.1 Ų118.163%0.6358%0.581SS**Hα-helixtrans-68.8-39.4174.7-97.3-178.3168.8175-2.8113.3Q9 L11 E17Q9-R13 PolarHBondContact O-N 3.18Å; L11-R13 VanDerWaalsContact C-N 3.27Å; L11-R13 PolarHBondContact O-N 3.05Å; R13-E17 WeakPolarHBondContact O-CB 3.29Å; R13-E17 WeakPolarHBondContact O-CG 3.29Å; R13-E17 PolarHBondContact O-N 2.9Å
14L62.8Low57Low101 Ų101115.6 Ų115.653%0.52957%0.567SS.*Hα-helixtrans-69-36.9177.3-73.8166.9000111.2D10 L11 E18D10-L14 WeakPolarHBondContact O-CB 3.36Å; D10-L14 WeakPolarHBondContact O-CD1 3.22Å; D10-L14 VanDerWaalsContact O-CG 3.22Å; D10-L14 WeakPolarHBondContact O-CG 3.45Å; D10-L14 PolarHBondContact O-N 3.35Å; L11-L14 PolarHBondContact O-N 3.18Å; L14-E18 WeakPolarHBondContact O-CB 3.36Å; L14-E18 PolarHBondContact O-N 2.92Å
15E65.3Low56.9Low127 Ų127112.6 Ų112.659%0.59355%0.553SS**Hα-helixtrans-66.6-44.9172.8-74.1-173.9175.100111.4L11 E17 E18 E19L11-E15 PolarHBondContact O-N 2.79Å; E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 2.89Å; E15-E18 PolarHBondContact O-N 2.96Å; E15-E19 WeakPolarHBondContact O-CB 3.47Å; E15-E19 PolarHBondContact O-N 2.89Å
16E61.8Low56.8Low120 Ų120107.3 Ų107.356%0.56154%0.537SS*.Hα-helixtrans-63.2-37.3174.9-79.3-175.2167.700112.8D12 Q20D12-E16 WeakPolarHBondContact O-CB 3.44Å; D12-E16 WeakPolarHBondContact O-CG 3.47Å; D12-E16 PolarHBondContact O-N 3.3Å; E16-Q20 VanDerWaalsContact O-CB 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.43Å; E16-Q20 VanDerWaalsContact O-CG 3.29Å; E16-Q20 WeakPolarHBondContact O-CG 3.42Å; E16-Q20 PolarHBondContact O-N 2.84Å
17E64.3Low56.5Low124 Ų124109.5 Ų109.558%0.57954%0.54SS*.Hα-helixtrans-70.6-38.3175.3-78.5-175.6179.100112.1R13 E15 K21R13-E17 WeakPolarHBondContact O-CB 3.29Å; R13-E17 WeakPolarHBondContact O-CG 3.29Å; R13-E17 PolarHBondContact O-N 2.9Å; E15-E17 VanDerWaalsContact C-N 3.35Å; E15-E17 PolarHBondContact O-N 2.89Å; E17-K21 WeakPolarHBondContact O-CB 3.15Å; E17-K21 PolarHBondContact O-N 3.44Å
18E62.5Low56.1Low130 Ų130106.7 Ų106.761%0.60753%0.528SS*.Hα-helixtrans-68.1-37.8172.9-81.6-167.1157.700112.2L14 E15 K21 Q22L14-E18 WeakPolarHBondContact O-CB 3.36Å; L14-E18 PolarHBondContact O-N 2.92Å; E15-E18 PolarHBondContact O-N 2.96Å; E18-K21 PolarHBondContact O-N 2.75Å; E18-Q22 WeakPolarHBondContact O-CB 3.1Å; E18-Q22 WeakPolarHBondContact O-CG 3.34Å; E18-Q22 PolarHBondContact O-N 3.48Å
19E58.3Low55.6Low134 Ų134114.1 Ų114.163%0.62655%0.546SS*.Hα-helixtrans-69.5-41.7176.7-138.4179.3-163.100110.9E15 K21 Q22 T23E15-E19 WeakPolarHBondContact O-CB 3.47Å; E15-E19 PolarHBondContact O-N 2.89Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.48Å; E19-Q22 PolarHBondContact O-N 3.49Å; E19-T23 VanDerWaalsContact O-CB 3.25Å; E19-T23 WeakPolarHBondContact O-CB 3.21Å; E19-T23 PolarHBondContact O-N 2.84Å; E19-T23 PolarHBondContact O-OG1 2.77Å
20Q52.4Low55Low136 Ų136113.9 Ų113.964%0.63655%0.549SS*.Hα-helixtrans-66.3-35172.8-78.4179.613.600112.2E16 S24E16-Q20 VanDerWaalsContact O-CB 3.29Å; E16-Q20 WeakPolarHBondContact O-CB 3.43Å; E16-Q20 VanDerWaalsContact O-CG 3.29Å; E16-Q20 WeakPolarHBondContact O-CG 3.42Å; E16-Q20 PolarHBondContact O-N 2.84Å; Q20-S24 WeakPolarHBondContact O-CB 3.04Å; Q20-S24 PolarHBondContact O-N 2.92Å
21K54.8Low54Low136 Ų136117.2 Ų117.259%0.59156%0.563SS**Hα-helixtrans-75.1-36.8177.5-159.1174.4-171.9-179.10111.9E17 E18 E19 S24 E25E17-K21 WeakPolarHBondContact O-CB 3.15Å; E17-K21 PolarHBondContact O-N 3.44Å; E18-K21 PolarHBondContact O-N 2.75Å; E19-K21 VanDerWaalsContact C-N 3.33Å; E19-K21 PolarHBondContact O-N 3.48Å; K21-S24 PolarHBondContact O-N 2.79Å; K21-E25 WeakPolarHBondContact O-CB 3.3Å; K21-E25 VanDerWaalsContact O-CG 3.26Å; K21-E25 WeakPolarHBondContact O-CG 3.19Å; K21-E25 PolarHBondContact O-N 3.45Å
22Q51.5Low52.9Low133 Ų133118.7 Ų118.762%0.62157%0.572SS**Hα-helixtrans-67.7-37.2169.6-82.5-177.6-0.900112.2E18 E19 S26E18-Q22 WeakPolarHBondContact O-CB 3.1Å; E18-Q22 WeakPolarHBondContact O-CG 3.34Å; E18-Q22 PolarHBondContact O-N 3.48Å; E19-Q22 PolarHBondContact O-N 3.49Å; Q22-S26 WeakPolarHBondContact O-CB 3.26Å; Q22-S26 PolarHBondContact O-N 3.37Å; Q22-S26 PolarHBondContact O-OG 2.93Å
23T49Very low51.9Low66 Ų66117.1 Ų117.141%0.40557%0.568SS.*Hα-helixtrans-69.5-40.3175.3-52.60000110.9E19 S26 Q27E19-T23 VanDerWaalsContact O-CB 3.25Å; E19-T23 WeakPolarHBondContact O-CB 3.21Å; E19-T23 PolarHBondContact O-N 2.84Å; E19-T23 PolarHBondContact O-OG1 2.77Å; T23-S26 WeakPolarHBondContact CA-OG 3.34Å; T23-S26 PolarHBondContact O-OG 3.36Å; T23-Q27 VanDerWaalsContact O-CB 3.25Å; T23-Q27 WeakPolarHBondContact O-CB 3.38Å; T23-Q27 WeakPolarHBondContact O-CG 3.18Å; T23-Q27 PolarHBondContact O-N 2.94Å
24S52.8Low51.2Low54 Ų54112.6 Ų112.638%0.37857%0.574SS.*Hα-helixtrans-68.5-41.7173.5-177.70000111.8Q20 K21 Q27 I28Q20-S24 WeakPolarHBondContact O-CB 3.04Å; Q20-S24 PolarHBondContact O-N 2.92Å; K21-S24 PolarHBondContact O-N 2.79Å; S24-Q27 PolarHBondContact O-N 2.77Å; S24-I28 WeakPolarHBondContact O-CB 3.25Å; S24-I28 VanDerWaalsContact O-CD1 3.3Å; S24-I28 WeakPolarHBondContact O-CD1 3.25Å; S24-I28 WeakPolarHBondContact O-CG1 3.37Å; S24-I28 PolarHBondContact O-N 2.85Å; S24-I28 WeakPolarHBondContact OG-CD1 3.2Å
25E47Very low51.3Low95 Ų95112.5 Ų112.544%0.44457%0.572SS.*Hα-helixtrans-71.9-33.1178.5-78.6-177-175.800112.3K21 R29K21-E25 WeakPolarHBondContact O-CB 3.3Å; K21-E25 VanDerWaalsContact O-CG 3.26Å; K21-E25 WeakPolarHBondContact O-CG 3.19Å; K21-E25 PolarHBondContact O-N 3.45Å; E25-R29 VanDerWaalsContact O-CB 3.28Å; E25-R29 WeakPolarHBondContact O-CB 3.2Å; E25-R29 VanDerWaalsContact O-CG 3.25Å; E25-R29 WeakPolarHBondContact O-CG 3.25Å; E25-R29 PolarHBondContact O-N 3.48Å
26S48.6Very low52.1Low57 Ų57108.3 Ų108.340%0.39956%0.559SS.*Hα-helixtrans-70.6-40.6171.558.90000111.7Q22 T23 R29 L30Q22-S26 WeakPolarHBondContact O-CB 3.26Å; Q22-S26 PolarHBondContact O-N 3.37Å; Q22-S26 PolarHBondContact O-OG 2.93Å; T23-S26 WeakPolarHBondContact CA-OG 3.34Å; T23-S26 PolarHBondContact O-OG 3.36Å; S26-R29 PolarHBondContact O-N 2.84Å; S26-L30 WeakPolarHBondContact O-CB 3.36Å; S26-L30 WeakPolarHBondContact O-CD1 3.48Å; S26-L30 PolarHBondContact O-N 3.3Å
27Q44Very low53.7Low117 Ų117103.9 Ų103.955%0.54754%0.541SS..Hα-helixtrans-65.5-38.5171.6-75.3177.74.400112.4T23 S24 L30 M31T23-Q27 VanDerWaalsContact O-CB 3.25Å; T23-Q27 WeakPolarHBondContact O-CB 3.38Å; T23-Q27 WeakPolarHBondContact O-CG 3.18Å; T23-Q27 PolarHBondContact O-N 2.94Å; S24-Q27 PolarHBondContact O-N 2.77Å; Q27-L30 PolarHBondContact O-N 2.63Å; Q27-M31 WeakPolarHBondContact O-CB 3.28Å; Q27-M31 WeakPolarHBondContact O-CG 3.45Å; Q27-M31 PolarHBondContact O-N 2.84Å
28I45.3Very low55.3Low82 Ų8298 Ų9842%0.42151%0.514SS..Hα-helixtrans-70.6-35.2175.1-70.5164000110.9S24 M31 N32S24-I28 WeakPolarHBondContact O-CB 3.25Å; S24-I28 VanDerWaalsContact O-CD1 3.3Å; S24-I28 WeakPolarHBondContact O-CD1 3.25Å; S24-I28 WeakPolarHBondContact O-CG1 3.37Å; S24-I28 PolarHBondContact O-N 2.85Å; S24-I28 WeakPolarHBondContact OG-CD1 3.2Å; I28-M31 PolarHBondContact O-N 3.37Å; I28-N32 WeakPolarHBondContact O-CB 3.36Å; I28-N32 PolarHBondContact O-N 2.81Å
29R43.2Very low57Low189 Ų18993.6 Ų93.671%0.71350%0.497SS*.Hα-helixtrans-67.4-37.6170.7-79.7179.2-172.7-1715.6112.2E25 S26 N32 S33E25-R29 VanDerWaalsContact O-CB 3.28Å; E25-R29 WeakPolarHBondContact O-CB 3.2Å; E25-R29 VanDerWaalsContact O-CG 3.25Å; E25-R29 WeakPolarHBondContact O-CG 3.25Å; E25-R29 PolarHBondContact O-N 3.48Å; S26-R29 PolarHBondContact O-N 2.84Å; R29-N32 PolarHBondContact O-N 3.36Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 2.87Å
30L43Very low58.8Low130 Ų13093.1 Ų93.168%0.68149%0.494SS*.Hα-helixtrans-67.4-33.4172.2-91.6147.8000112.6S26 Q27 S33S26-L30 WeakPolarHBondContact O-CB 3.36Å; S26-L30 WeakPolarHBondContact O-CD1 3.48Å; S26-L30 PolarHBondContact O-N 3.3Å; Q27-L30 PolarHBondContact O-N 2.63Å; L30-S33 PolarHBondContact O-OG 2.96Å
31M37.6Very low61Low161 Ų16187.5 Ų87.579%0.79347%0.468SS*.Hα-helixtrans-80-27.2174.9-77.4177.4137.900113.4Q27 I28Q27-M31 WeakPolarHBondContact O-CB 3.28Å; Q27-M31 WeakPolarHBondContact O-CG 3.45Å; Q27-M31 PolarHBondContact O-N 2.84Å; I28-M31 PolarHBondContact O-N 3.37Å
32N36.6Very low63Low133 Ų13381 Ų8171%0.71144%0.439SS*.Hα-helixtrans-97.3-9.8-179.4-78.1-22.7000114.6I28 R29 G34I28-N32 WeakPolarHBondContact O-CB 3.36Å; I28-N32 PolarHBondContact O-N 2.81Å; R29-N32 PolarHBondContact O-N 3.36Å; N32-G34 PolarHBondContact O-N 3.4Å
33S42.8Very low65.3Low67 Ų6776.6 Ų76.647%0.46943%0.425SS..SBendtrans-78.5103.9158.261.10000107.4R29 L30 M35R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 2.87Å; L30-S33 PolarHBondContact O-OG 2.96Å; S33-M35 PolarHBondContact O-N 3Å
34G52.3Low67.6Low72 Ų7275.7 Ų75.774%0.74243%0.429SS*.PPolyproline II helixtrans-49.1119.5161.900000107.1N32 A36N32-G34 PolarHBondContact O-N 3.4Å; G34-A36 PolarHBondContact O-N 3.18Å; G34-A36 VanDerWaalsContact O-N 3.11Å
35M65.3Low69.8Low99 Ų9975.1 Ų75.149%0.48842%0.42SS..PPolyproline II helixtrans-50.7126.1-176.7-78.7-173.7-80.900108.2S33 S37 H329S33-M35 PolarHBondContact O-N 3Å; M35-S37 PolarHBondContact O-N 3.11Å; M35-H329 VanDerWaalsContact SD-CE1 3.56Å; M35-H329 PolarHBondContact SD-NE2 3.09Å
36A81.4Confident72.3Confident40 Ų4070.7 Ų70.733%0.33140%0.4SS..PPolyproline II helixtrans-50.2127.3-17800000108.9G34 E40 W324G34-A36 PolarHBondContact O-N 3.18Å; G34-A36 VanDerWaalsContact O-N 3.11Å; A36-E40 HydrophobicContact CB-CB 4.05Å; A36-W324 PolarHBondContact O-NE1 2.77Å
37S94.9Very high74.6Confident27 Ų2768 Ų6819%0.18938%0.381CS..PPolyproline II helixtrans-56164.6174.159.90000110.7M35 E40 Y41 D451M35-S37 PolarHBondContact O-N 3.11Å; S37-E40 WeakPolarHBondContact CB-OE2 3.31Å; S37-E40 PolarHBondContact N-OE2 2.89Å; S37-E40 PolarHBondContact O-N 3.4Å; S37-E40 WeakPolarHBondContact OG-CB 3.45Å; S37-E40 WeakPolarHBondContact OG-CG 3.25Å; S37-E40 PolarHBondContact OG-OE2 2.9Å; S37-Y41 PolarHBondContact O-N 3.37Å; S37-D451 WeakPolarHBondContact CA-OD2 3.29Å; S37-D451 VanDerWaalsContact CB-OD2 3.31Å; S37-D451 WeakPolarHBondContact CB-OD2 3.27Å
38I97.6Very high77.3Confident0 Ų062.4 Ų62.40%036%0.355CS..Hα-helixtrans-54-49.6179.3-67.4175.1000111.2E40 Y41 Y42 A321 W324 L447 D451 F455I38-E40 PolarHBondContact O-N 3.38Å; I38-Y41 PolarHBondContact O-N 3.28Å; I38-Y42 HydrophobicContact CG2-CD2 3.79Å; I38-Y42 HydrophobicContact CG2-CE2 3.74Å; I38-Y42 WeakPolarHBondContact O-CD2 3.46Å; I38-Y42 PolarHBondContact O-N 3.17Å; I38-A321 HydrophobicContact CD1-CB 3.81Å; I38-W324 HydrophobicContact CG1-CB 4.03Å; I38-W324 HydrophobicContact CG1-CD2 3.93Å; I38-W324 HydrophobicContact CG1-CE3 4.22Å; I38-W324 HydrophobicContact CG1-CG 3.83Å; I38-L447 HydrophobicContact CD1-CD2 3.68Å; I38-L447 HydrophobicContact CG1-CD2 4.36Å; I38-D451 HydrophobicContact CD1-CB 4.28Å; I38-D451 PolarHBondContact N-OD1 2.99Å; I38-D451 PolarHBondContact N-OD2 3.41Å; I38-D451 VanDerWaalsContact N-OD2 3.13Å; I38-F455 HydrophobicContact CB-CD2 3.95Å; I38-F455 HydrophobicContact CB-CE2 3.67Å; I38-F455 HydrophobicContact CB-CZ 4.17Å; I38-F455 HydrophobicContact CD1-CB 4.04Å; I38-F455 HydrophobicContact CD1-CD2 3.68Å; I38-F455 HydrophobicContact CD1-CE2 4.3Å; I38-F455 HydrophobicContact CD1-CG 3.85Å; I38-F455 HydrophobicContact CG1-CD2 4.38Å; I38-F455 HydrophobicContact CG2-CD1 4.34Å; I38-F455 HydrophobicContact CG2-CD2 3.99Å; I38-F455 HydrophobicContact CG2-CE1 3.94Å; I38-F455 HydrophobicContact CG2-CE2 3.56Å; I38-F455 HydrophobicContact CG2-CG 4.36Å; I38-F455 HydrophobicContact CG2-CZ 3.52Å
39P97.7Very high79.8Confident38 Ų3858.5 Ų58.525%0.24734%0.335CS..Hα-helixtrans-62.1-41.5179-24.436.4000113.5Y41 Y42 A43 D451 F455P39-Y41 VanDerWaalsContact C-N 3.31Å; P39-Y41 PolarHBondContact O-N 3.21Å; P39-Y42 PolarHBondContact O-N 3.25Å; P39-A43 PolarHBondContact O-N 3.13Å; P39-D451 VanDerWaalsContact CD-OD1 3.27Å; P39-D451 WeakPolarHBondContact CD-OD1 3.42Å; P39-F455 HydrophobicContact CG-CE2 3.97Å; P39-F455 HydrophobicContact CG-CZ 4.28Å
40E97.3Very high82.4Confident124 Ų12449.5 Ų49.558%0.57930%0.301SS*.Hα-helixtrans-63.4-37.8178.6-73.8167.7154.500111.9A36 S37 I38 A43A36-E40 HydrophobicContact CB-CB 4.05Å; S37-E40 WeakPolarHBondContact CB-OE2 3.31Å; S37-E40 PolarHBondContact N-OE2 2.89Å; S37-E40 PolarHBondContact O-N 3.4Å; S37-E40 WeakPolarHBondContact OG-CB 3.45Å; S37-E40 WeakPolarHBondContact OG-CG 3.25Å; S37-E40 PolarHBondContact OG-OE2 2.9Å; I38-E40 PolarHBondContact O-N 3.38Å; E40-A43 VanDerWaalsContact O-CB 3.32Å; E40-A43 WeakPolarHBondContact O-CB 3.35Å; E40-A43 PolarHBondContact O-N 3.14Å
41Y97.8Very high84.9Confident18 Ų1844.4 Ų44.47%0.07128%0.279CS..Hα-helixtrans-64.4-43.8175.5168.2-106.8000112.6S37 I38 P39 A43 K45 I141 E180 W324 A327 V328S37-Y41 PolarHBondContact O-N 3.37Å; I38-Y41 PolarHBondContact O-N 3.28Å; P39-Y41 VanDerWaalsContact C-N 3.31Å; P39-Y41 PolarHBondContact O-N 3.21Å; Y41-A43 PolarHBondContact O-N 3.07Å; Y41-K45 VanDerWaalsContact O-CE 3.32Å; Y41-K45 WeakPolarHBondContact O-CE 3.46Å; Y41-K45 WeakPolarHBondContact O-CG 3.48Å; Y41-I141 HydrophobicContact CD1-CD1 4.47Å; Y41-I141 HydrophobicContact CE1-CD1 3.35Å; Y41-I141 HydrophobicContact CE1-CG1 4.35Å; Y41-I141 WeakPolarHBondContact OH-CD1 3.48Å; Y41-I141 VanDerWaalsContact OH-CG1 3.29Å; Y41-I141 WeakPolarHBondContact OH-CG1 3.22Å; Y41-E180 WeakPolarHBondContact CE2-OE2 3.41Å; Y41-E180 PolarHBondContact OH-OE2 3.1Å; Y41-W324 VanDerWaalsContact CB-CD1 3.45Å; Y41-W324 HydrophobicContact CD1-CB 3.96Å; Y41-W324 AromaticContact CD1-CD1 3.85Å; Y41-W324 HydrophobicContact CD1-CG 4.34Å; Y41-W324 HydrophobicContact CE1-CB 4.46Å; Y41-W324 AromaticContact CG-CD1 3.63Å; Y41-A327 HydrophobicContact CE1-CB 4.01Å; Y41-A327 HydrophobicContact CE2-CB 3.67Å; Y41-A327 WeakPolarHBondContact OH-CB 3.49Å; Y41-V328 HydrophobicContact CD2-CG2 3.89Å; Y41-V328 HydrophobicContact CE2-CG2 4.3Å; Y41-V328 HydrophobicContact CG-CG2 4.4Å
42Y98.4Very high87.7Confident0 Ų036.7 Ų36.70%024%0.241CC..Hα-helixtrans-73.9-14.4178.7-77.4-74.6000113.2I38 P39 G44 K45 V47 L64 C68 V71 I141 F143 L320 W324I38-Y42 HydrophobicContact CG2-CD2 3.79Å; I38-Y42 HydrophobicContact CG2-CE2 3.74Å; I38-Y42 WeakPolarHBondContact O-CD2 3.46Å; I38-Y42 PolarHBondContact O-N 3.17Å; P39-Y42 PolarHBondContact O-N 3.25Å; Y42-G44 PolarHBondContact O-N 2.92Å; Y42-K45 WeakPolarHBondContact O-CB 3.27Å; Y42-K45 PolarHBondContact O-N 2.84Å; Y42-K45 VanDerWaalsContact O-N 3.12Å; Y42-V47 HydrophobicContact CD1-CG2 4.15Å; Y42-V47 HydrophobicContact CE1-CG2 4.32Å; Y42-L64 HydrophobicContact CD1-CD2 3.9Å; Y42-L64 HydrophobicContact CE1-CD2 4.06Å; Y42-L64 HydrophobicContact CG-CD2 4.19Å; Y42-C68 HydrophobicContact CG-CB 4.39Å; Y42-V71 WeakPolarHBondContact O-CA 3.19Å; Y42-I141 HydrophobicContact CD1-CD1 3.72Å; Y42-I141 HydrophobicContact CE1-CD1 3.19Å; Y42-F143 HydrophobicContact CE1-CE2 4.22Å; Y42-F143 HydrophobicContact CE1-CZ 4.27Å; Y42-F143 WeakPolarHBondContact OH-CZ 3.32Å; Y42-L320 HydrophobicContact CE2-CD2 4.37Å; Y42-L320 PolarHBondContact OH-O 2.75Å; Y42-L320 VanDerWaalsContact OH-O 3.12Å; Y42-W324 HydrophobicContact CE2-CB 4.43Å; Y42-W324 PolarHBondContact OH-N 2.91Å
43A98.3Very high90.4Very high39 Ų3931.5 Ų31.532%0.32221%0.214SC..THydrogen-bonded Turntrans-59.4129177.600000111.3P39 E40 Y41 K45 D70P39-A43 PolarHBondContact O-N 3.13Å; E40-A43 VanDerWaalsContact O-CB 3.32Å; E40-A43 WeakPolarHBondContact O-CB 3.35Å; E40-A43 PolarHBondContact O-N 3.14Å; Y41-A43 PolarHBondContact O-N 3.07Å; A43-K45 PolarHBondContact O-N 2.78Å; A43-K45 VanDerWaalsContact O-N 3.11Å; A43-D70 HydrophobicContact CB-CB 3.82Å
44G98.1Very high92.8Very high48 Ų4830 Ų3050%0.49521%0.209SC..THydrogen-bonded Turntrans71.1-2.9-178.300000115.5Y42 D70 K72Y42-G44 PolarHBondContact O-N 2.92Å; G44-D70 PolarHBondContact N-O 2.8Å; G44-K72 WeakPolarHBondContact O-CB 3.39Å
45K98.5Very high94.8Very high42 Ų4228.1 Ų28.118%0.18318%0.18CC..  trans-82.1149.2-179.7-58.2-65.2179.6172.80112.2Y41 Y42 A43 V71 K72 N140 E180Y41-K45 VanDerWaalsContact O-CE 3.32Å; Y41-K45 WeakPolarHBondContact O-CE 3.46Å; Y41-K45 WeakPolarHBondContact O-CG 3.48Å; Y42-K45 WeakPolarHBondContact O-CB 3.27Å; Y42-K45 PolarHBondContact O-N 2.84Å; Y42-K45 VanDerWaalsContact O-N 3.12Å; A43-K45 PolarHBondContact O-N 2.78Å; A43-K45 VanDerWaalsContact O-N 3.11Å; K45-V71 VanDerWaalsContact O-CG2 3.24Å; K45-V71 WeakPolarHBondContact O-CG2 3.25Å; K45-K72 WeakPolarHBondContact O-CB 3.47Å; K45-K72 PolarHBondContact O-N 2.97Å; K45-N140 WeakPolarHBondContact CA-OD1 3.35Å; K45-N140 HydrophobicContact CB-CB 4.17Å; K45-N140 HydrophobicContact CD-CB 3.81Å; K45-N140 HydrophobicContact CG-CB 4.45Å; K45-E180 VanDerWaalsContact NZ-CD 3.29Å; K45-E180 IonicContact NZ-OE1 3.45Å; K45-E180 PolarHBondContact NZ-OE1 2.99Å; K45-E180 IonicContact NZ-OE2 2.85Å; K45-E180 PolarHBondContact NZ-OE2 3.39Å; K45-E180 VanDerWaalsContact NZ-OE2 3.12Å
46S98.8Very high96.2Very high2 Ų225 Ų251%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-101.4129.9168.7-630000110.5A73 C138 N140 I141S46-A73 CarbonylContact C-O 3.55Å; S46-A73 WeakPolarHBondContact CA-O 3.35Å; S46-C138 WeakPolarHBondContact CB-O 3.5Å; S46-C138 PolarHBondContact OG-O 3.17Å; S46-N140 PolarHBondContact N-OD1 3.46Å; S46-N140 PolarHBondContact O-N 3.04Å; S46-I141 PolarHBondContact O-N 3.26Å
47V98.9Very high96.9Very high0 Ų023.1 Ų23.10%015%0.15CC..EExtended strand (participates in β ladder)trans-117.1129.1-175.9-176.40000110.1Y42 I49 L64 V71 A73 L74 Y75 I141 F143Y42-V47 HydrophobicContact CD1-CG2 4.15Å; Y42-V47 HydrophobicContact CE1-CG2 4.32Å; V47-I49 HydrophobicContact CG1-CD1 4.3Å; V47-I49 HydrophobicContact CG1-CG1 3.87Å; V47-L64 HydrophobicContact CG1-CD1 4.27Å; V47-V71 HydrophobicContact CG2-CG2 4.06Å; V47-A73 PolarHBondContact N-O 2.95Å; V47-L74 HydrophobicContact CB-CD2 3.81Å; V47-L74 HydrophobicContact CG2-CD2 4.17Å; V47-L74 CarbonylContact O-C 3.4Å; V47-L74 WeakPolarHBondContact O-CA 3.46Å; V47-Y75 PolarHBondContact O-N 3.32Å; V47-I141 CarbonylContact C-O 3.59Å; V47-I141 WeakPolarHBondContact CA-O 3.22Å; V47-F143 HydrophobicContact CG1-CD2 3.39Å; V47-F143 HydrophobicContact CG1-CE2 3.6Å
48L98.9Very high97Very high0 Ų023.5 Ų23.50%015%0.148CC..EExtended strand (participates in β ladder)trans-96.5127.2170.1177.162.2000110.3Y75 L77 L135 V139 I141 V142 F143 L169 M176L48-Y75 CarbonylContact C-O 3.59Å; L48-Y75 WeakPolarHBondContact CA-O 3.27Å; L48-Y75 WeakPolarHBondContact CD1-O 3.42Å; L48-L77 HydrophobicContact CD1-CD2 3.81Å; L48-L77 HydrophobicContact CD1-CG 3.9Å; L48-L135 HydrophobicContact CD1-CD2 3.92Å; L48-L135 HydrophobicContact CD2-CD2 4.48Å; L48-V139 HydrophobicContact CB-CG1 3.82Å; L48-V139 HydrophobicContact CB-CG2 4.12Å; L48-I141 PolarHBondContact N-O 2.96Å; L48-V142 HydrophobicContact CB-CG2 4.19Å; L48-V142 HydrophobicContact CD2-CG1 4.36Å; L48-V142 HydrophobicContact CD2-CG2 4.22Å; L48-V142 CarbonylContact O-C 3.6Å; L48-V142 WeakPolarHBondContact O-CA 3.41Å; L48-F143 PolarHBondContact O-N 3.42Å; L48-L169 HydrophobicContact CD2-CD1 4.24Å; L48-M176 HydrophobicContact CD2-CE 3.7Å
49I98.7Very high97Very high0 Ų023.6 Ų23.60%015%0.149CC..EExtended strand (participates in β ladder)trans-124119.7179.6-51.8172.6000109.7V47 A52 L60 V61 L64 Y75 I76 L77 F143V47-I49 HydrophobicContact CG1-CD1 4.3Å; V47-I49 HydrophobicContact CG1-CG1 3.87Å; I49-A52 HydrophobicContact CB-CB 4.22Å; I49-A52 HydrophobicContact CG2-CB 3.87Å; I49-L60 HydrophobicContact CD1-CD2 4.19Å; I49-L60 HydrophobicContact CD1-CG 4.25Å; I49-L60 HydrophobicContact CG1-CD2 4.38Å; I49-L60 HydrophobicContact CG2-CD2 3.95Å; I49-V61 HydrophobicContact CD1-CG2 3.74Å; I49-L64 HydrophobicContact CD1-CD1 3.9Å; I49-Y75 PolarHBondContact N-O 2.74Å; I49-I76 HydrophobicContact CB-CG2 4.39Å; I49-L77 PolarHBondContact O-N 3.44Å; I49-L77 VanDerWaalsContact O-N 3.1Å; I49-F143 WeakPolarHBondContact CA-O 3.48Å; I49-F143 HydrophobicContact CG1-CB 4.41Å; I49-F143 HydrophobicContact CG1-CD2 4.33Å
50T97.9Very high97.1Very high0 Ų021.8 Ų21.80%014%0.137CC..EExtended strand (participates in β ladder)trans-89.1149.7166.280.90000109.8A52 L77 F143 H144 C145 A146 L169T50-A52 PolarHBondContact O-N 3.34Å; T50-L77 HydrophobicContact CG2-CD1 3.79Å; T50-L77 HydrophobicContact CG2-CG 4.29Å; T50-F143 PolarHBondContact N-O 3Å; T50-H144 WeakPolarHBondContact CG2-ND1 3.35Å; T50-H144 WeakPolarHBondContact OG1-CA 3.31Å; T50-H144 PolarHBondContact OG1-ND1 3.22Å; T50-C145 VanDerWaalsContact O-CB 3.29Å; T50-C145 WeakPolarHBondContact O-CB 3.35Å; T50-C145 PolarHBondContact O-N 3.02Å; T50-C145 PolarHBondContact OG1-N 2.9Å; T50-A146 VanDerWaalsContact OG1-CB 3.29Å; T50-A146 WeakPolarHBondContact OG1-CB 3.49Å; T50-A146 PolarHBondContact OG1-N 3.29Å; T50-L169 HydrophobicContact CG2-CD1 4.4Å; T50-L169 HydrophobicContact CG2-CD2 3.59Å
51G95.2Very high97.1Very high22 Ų2215.9 Ų15.923%0.22711%0.109CC..THydrogen-bonded Turntrans7014.6179.900000114.1T53 G54G51-T53 PolarHBondContact O-N 3.45Å; G51-T53 VanDerWaalsContact O-N 3.1Å; G51-G54 PolarHBondContact O-N 3.37Å
52A96Very high97.1Very high0 Ų015.1 Ų15.10%011%0.106CC..THydrogen-bonded Turntrans-55.1-29.5-177.900000114.3I49 T50 G54 G57 K58 V61 I76I49-A52 HydrophobicContact CB-CB 4.22Å; I49-A52 HydrophobicContact CG2-CB 3.87Å; T50-A52 PolarHBondContact O-N 3.34Å; A52-G54 VanDerWaalsContact C-N 3.31Å; A52-G57 CarbonylContact O-C 3.56Å; A52-K58 PolarHBondContact O-N 2.97Å; A52-K58 VanDerWaalsContact O-N 3.08Å; A52-V61 HydrophobicContact CB-CG2 4.13Å; A52-I76 HydrophobicContact CB-CB 3.65Å; A52-I76 HydrophobicContact CB-CG2 3.5Å
53T93.3Very high97.1Very high24 Ų2415.2 Ų15.215%0.14711%0.107CC..THydrogen-bonded Turntrans-84.1-3.7177.859.40000114G51 K58 V78 R89 M93G51-T53 PolarHBondContact O-N 3.45Å; G51-T53 VanDerWaalsContact O-N 3.1Å; T53-K58 WeakPolarHBondContact O-CE 3.33Å; T53-V78 HydrophobicContact CG2-CG2 4.42Å; T53-R89 HydrophobicContact CG2-CG 4.44Å; T53-R89 PolarHBondContact OG1-NH2 2.78Å; T53-M93 HydrophobicContact CG2-SD 3.99Å
54G93.1Very high97.1Very high34 Ų3413.4 Ų13.435%0.3519%0.092SC..SBendtrans-85.9174.7174.300000112.4G51 A52 G57 K58G51-G54 PolarHBondContact O-N 3.37Å; A52-G54 VanDerWaalsContact C-N 3.31Å; G54-G57 PolarHBondContact O-N 2.98Å; G54-K58 VanDerWaalsContact O-CG 3.3Å; G54-K58 WeakPolarHBondContact O-CG 3.3Å; G54-K58 PolarHBondContact O-N 3.4Å
55F94.2Very high97Very high33 Ų3311.2 Ų11.215%0.1457%0.069CC..Hα-helixtrans-52.7-62.1-174.2175-129.9000113.4G57 K58 V266 G267 W277 I278 D279 N280 V312F55-G57 VanDerWaalsContact C-N 3.35Å; F55-G57 PolarHBondContact O-N 3.48Å; F55-K58 PolarHBondContact O-N 3.28Å; F55-V266 HydrophobicContact CE1-CG1 3.89Å; F55-G267 WeakPolarHBondContact CE1-O 3.22Å; F55-G267 WeakPolarHBondContact CZ-O 3.17Å; F55-W277 HydrophobicContact CD2-CE3 4.41Å; F55-W277 AromaticContact CD2-CH2 3.91Å; F55-W277 HydrophobicContact CD2-CH2 3.91Å; F55-W277 AromaticContact CD2-CZ3 3.51Å; F55-W277 HydrophobicContact CD2-CZ3 3.51Å; F55-W277 AromaticContact CE2-CE3 3.74Å; F55-W277 HydrophobicContact CE2-CE3 3.74Å; F55-W277 HydrophobicContact CE2-CH2 4.08Å; F55-W277 AromaticContact CE2-CZ3 3.26Å; F55-W277 HydrophobicContact CE2-CZ3 3.26Å; F55-W277 HydrophobicContact CZ-CZ3 4.41Å; F55-I278 HydrophobicContact CD1-CD1 4.41Å; F55-I278 HydrophobicContact CD2-CD1 4.12Å; F55-I278 HydrophobicContact CE1-CD1 3.81Å; F55-I278 HydrophobicContact CE2-CD1 3.48Å; F55-I278 VanDerWaalsContact CE2-CD1 3.48Å; F55-I278 HydrophobicContact CZ-CD1 3.31Å; F55-D279 VanDerWaalsContact CD2-OD1 3.27Å; F55-D279 WeakPolarHBondContact CD2-OD1 3.33Å; F55-N280 WeakPolarHBondContact CB-ND2 3.47Å; F55-N280 WeakPolarHBondContact CD2-ND2 3.5Å; F55-N280 WeakPolarHBondContact CG-ND2 3.22Å; F55-V312 HydrophobicContact CD1-CG2 4.33Å; F55-V312 HydrophobicContact CE1-CB 3.8Å; F55-V312 HydrophobicContact CE1-CG1 4.32Å; F55-V312 HydrophobicContact CE1-CG2 3.85Å; F55-V312 HydrophobicContact CE2-CB 4.48Å; F55-V312 HydrophobicContact CE2-CG1 4.2Å; F55-V312 HydrophobicContact CE2-CG2 4.45Å; F55-V312 HydrophobicContact CZ-CB 3.64Å; F55-V312 HydrophobicContact CZ-CG1 3.64Å; F55-V312 HydrophobicContact CZ-CG2 3.91Å
56M95.7Very high96.9Very high34 Ų3410.4 Ų10.417%0.1677%0.065CC..Hα-helixtrans-62.4-41.3177.6-67.7177.863.900112.3K58 V59 L60 I185 P263 V266 V312 V315 I316M56-K58 VanDerWaalsContact C-N 3.29Å; M56-K58 PolarHBondContact O-N 3.26Å; M56-V59 PolarHBondContact O-N 3.11Å; M56-V59 VanDerWaalsContact O-N 3.14Å; M56-L60 PolarHBondContact O-N 3.31Å; M56-I185 HydrophobicContact CE-CG2 3.96Å; M56-P263 HydrophobicContact CE-CG 4.5Å; M56-V266 HydrophobicContact CG-CG1 4.41Å; M56-V266 HydrophobicContact SD-CG2 4.11Å; M56-V312 HydrophobicContact CB-CG2 4.48Å; M56-V312 HydrophobicContact CG-CG2 4Å; M56-V315 HydrophobicContact CE-CB 4.2Å; M56-V315 HydrophobicContact CE-CG1 3.37Å; M56-I316 HydrophobicContact CB-CD1 4.27Å; M56-I316 HydrophobicContact CE-CD1 4.31Å
57G96.6Very high96.8Very high1 Ų111 Ų111%0.017%0.069CC..Hα-helixtrans-59.8-37.9-178.400000113.1A52 G54 F55 L60 V61A52-G57 CarbonylContact O-C 3.56Å; G54-G57 PolarHBondContact O-N 2.98Å; F55-G57 VanDerWaalsContact C-N 3.35Å; F55-G57 PolarHBondContact O-N 3.48Å; G57-L60 PolarHBondContact O-N 3.05Å; G57-V61 VanDerWaalsContact O-CG2 3.29Å; G57-V61 WeakPolarHBondContact O-CG2 3.45Å; G57-V61 PolarHBondContact O-N 3.37Å
58K96.7Very high96.7Very high34 Ų3411 Ų1115%0.1487%0.069CC..Hα-helixtrans-65-43.4176-70.6177.2-168.9172.70111.7A52 T53 G54 F55 M56 L60 V61 E62 M93 L98 W277 D279A52-K58 PolarHBondContact O-N 2.97Å; A52-K58 VanDerWaalsContact O-N 3.08Å; T53-K58 WeakPolarHBondContact O-CE 3.33Å; G54-K58 VanDerWaalsContact O-CG 3.3Å; G54-K58 WeakPolarHBondContact O-CG 3.3Å; G54-K58 PolarHBondContact O-N 3.4Å; F55-K58 PolarHBondContact O-N 3.28Å; M56-K58 VanDerWaalsContact C-N 3.29Å; M56-K58 PolarHBondContact O-N 3.26Å; K58-L60 VanDerWaalsContact C-N 3.32Å; K58-V61 PolarHBondContact O-N 2.91Å; K58-E62 WeakPolarHBondContact O-CB 3.39Å; K58-E62 PolarHBondContact O-N 3.41Å; K58-M93 HydrophobicContact CD-CG 4.2Å; K58-M93 HydrophobicContact CG-CG 3.84Å; K58-M93 HydrophobicContact CG-SD 4.06Å; K58-L98 HydrophobicContact CB-CD2 3.5Å; K58-L98 WeakPolarHBondContact O-CD2 3.13Å; K58-W277 HydrophobicContact CB-CH2 4.39Å; K58-W277 HydrophobicContact CD-CH2 4.47Å; K58-D279 IonicContact NZ-OD2 3.39Å; K58-D279 PolarHBondContact NZ-OD2 3.14Å
59V97.8Very high96.5Very high3 Ų313.7 Ų13.72%0.0189%0.086CC..Hα-helixtrans-65.1-39.1177.7-175.90000110.4M56 E62 K63 L98 W277 V312 I316M56-V59 PolarHBondContact O-N 3.11Å; M56-V59 VanDerWaalsContact O-N 3.14Å; V59-E62 PolarHBondContact O-N 3.26Å; V59-K63 WeakPolarHBondContact O-CB 3.38Å; V59-K63 PolarHBondContact O-N 3.49Å; V59-L98 HydrophobicContact CG2-CD1 4.19Å; V59-W277 HydrophobicContact CG2-CE3 3.87Å; V59-W277 HydrophobicContact CG2-CH2 4.06Å; V59-W277 HydrophobicContact CG2-CZ3 3.25Å; V59-V312 HydrophobicContact CB-CG2 4.19Å; V59-V312 HydrophobicContact CG1-CG2 4.46Å; V59-V312 HydrophobicContact CG2-CG1 4.04Å; V59-V312 HydrophobicContact CG2-CG2 3.85Å; V59-I316 HydrophobicContact CB-CG1 3.84Å; V59-I316 HydrophobicContact CG1-CB 4.14Å; V59-I316 HydrophobicContact CG1-CG1 3.69Å; V59-I316 HydrophobicContact CG1-CG2 4.34Å
60L98.4Very high96.4Very high0 Ų019.1 Ų19.10%012%0.115CC..Hα-helixtrans-60.8-47.4174.5-17861000112.2I49 M56 G57 K58 K63 L64 F143 I316 T319 L320I49-L60 HydrophobicContact CD1-CD2 4.19Å; I49-L60 HydrophobicContact CD1-CG 4.25Å; I49-L60 HydrophobicContact CG1-CD2 4.38Å; I49-L60 HydrophobicContact CG2-CD2 3.95Å; M56-L60 PolarHBondContact O-N 3.31Å; G57-L60 PolarHBondContact O-N 3.05Å; K58-L60 VanDerWaalsContact C-N 3.32Å; L60-K63 PolarHBondContact O-N 2.87Å; L60-L64 HydrophobicContact CD1-CD1 4.24Å; L60-L64 HydrophobicContact CG-CD1 4.22Å; L60-L64 WeakPolarHBondContact O-CB 3.44Å; L60-L64 WeakPolarHBondContact O-CG 3.38Å; L60-L64 PolarHBondContact O-N 3.38Å; L60-F143 HydrophobicContact CD2-CB 3.73Å; L60-F143 HydrophobicContact CD2-CD1 4.48Å; L60-F143 HydrophobicContact CD2-CD2 4.02Å; L60-F143 HydrophobicContact CD2-CG 3.85Å; L60-I316 HydrophobicContact CB-CD1 3.91Å; L60-I316 HydrophobicContact CB-CG1 4.43Å; L60-I316 HydrophobicContact CB-CG2 4.31Å; L60-I316 HydrophobicContact CD1-CG2 3.96Å; L60-T319 HydrophobicContact CD1-CG2 4.41Å; L60-L320 HydrophobicContact CD1-CD1 4.42Å; L60-L320 HydrophobicContact CD1-CD2 3.53Å; L60-L320 HydrophobicContact CD1-CG 3.88Å
61V98.2Very high96.4Very high0 Ų019.2 Ų19.20%012%0.115CC..Hα-helixtrans-62.9-46.3177.4173.80000110.9I49 A52 G57 K58 L65 L74 I76 F99 I113I49-V61 HydrophobicContact CD1-CG2 3.74Å; A52-V61 HydrophobicContact CB-CG2 4.13Å; G57-V61 VanDerWaalsContact O-CG2 3.29Å; G57-V61 WeakPolarHBondContact O-CG2 3.45Å; G57-V61 PolarHBondContact O-N 3.37Å; K58-V61 PolarHBondContact O-N 2.91Å; V61-L65 HydrophobicContact CG1-CD1 3.85Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.49Å; V61-L65 PolarHBondContact O-N 3.39Å; V61-L65 VanDerWaalsContact O-N 3.09Å; V61-L74 HydrophobicContact CG1-CD1 3.93Å; V61-I76 HydrophobicContact CG2-CG2 4.35Å; V61-F99 HydrophobicContact CB-CE1 4.41Å; V61-F99 HydrophobicContact CB-CZ 4.37Å; V61-F99 HydrophobicContact CG1-CE1 3.91Å; V61-F99 HydrophobicContact CG1-CZ 4.15Å; V61-I113 HydrophobicContact CG1-CD1 4.2Å
62E97.7Very high96.6Very high1 Ų124.5 Ų24.51%0.00513%0.132CC..Hα-helixtrans-58.5-49.3176.4-173.3-77.8152.800111.4K58 V59 L64 L65 R66 L98 F99 V102K58-E62 WeakPolarHBondContact O-CB 3.39Å; K58-E62 PolarHBondContact O-N 3.41Å; V59-E62 PolarHBondContact O-N 3.26Å; E62-L64 PolarHBondContact O-N 3.43Å; E62-L65 PolarHBondContact O-N 3.15Å; E62-R66 WeakPolarHBondContact O-CB 3.21Å; E62-R66 PolarHBondContact O-N 3.3Å; E62-R66 VanDerWaalsContact OE1-CD 3.3Å; E62-R66 WeakPolarHBondContact OE1-CD 3.2Å; E62-R66 IonicContact OE1-CZ 3.89Å; E62-R66 IonicContact OE1-NE 2.77Å; E62-R66 PolarHBondContact OE1-NE 3.29Å; E62-R66 IonicContact OE1-NH2 3.41Å; E62-R66 IonicContact OE2-NE 2.75Å; E62-R66 IonicContact OE2-NH2 3.15Å; E62-R66 PolarHBondContact OE2-NH2 3.32Å; E62-L98 HydrophobicContact CB-CD2 4.07Å; E62-L98 HydrophobicContact CB-CG 4.13Å; E62-L98 HydrophobicContact CG-CG 4.09Å; E62-L98 WeakPolarHBondContact CG-O 3.36Å; E62-F99 HydrophobicContact CB-CD1 4.18Å; E62-F99 HydrophobicContact CB-CE1 3.86Å; E62-F99 HydrophobicContact CB-CZ 4.39Å; E62-F99 HydrophobicContact CG-CD1 4.34Å; E62-V102 HydrophobicContact CG-CG2 3.83Å
63K97.9Very high96.7Very high3 Ų324.9 Ų24.91%0.01314%0.136CC..Hα-helixtrans-63.6-42.3-176.6-176.564.5-178.3174.10111.9V59 L60 R66 S67 E272 I316 N317 L320 T454 F455V59-K63 WeakPolarHBondContact O-CB 3.38Å; V59-K63 PolarHBondContact O-N 3.49Å; L60-K63 PolarHBondContact O-N 2.87Å; K63-R66 VanDerWaalsContact CD-NH2 3.34Å; K63-R66 PolarHBondContact O-N 3.16Å; K63-S67 WeakPolarHBondContact CD-OG 3.23Å; K63-S67 VanDerWaalsContact CE-OG 3.23Å; K63-S67 WeakPolarHBondContact CE-OG 3.29Å; K63-S67 PolarHBondContact NZ-OG 2.87Å; K63-S67 VanDerWaalsContact O-CB 3.32Å; K63-S67 WeakPolarHBondContact O-CB 3.32Å; K63-S67 PolarHBondContact O-N 3.41Å; K63-S67 PolarHBondContact O-OG 2.74Å; K63-E272 IonicContact NZ-OE1 2.65Å; K63-E272 IonicContact NZ-OE2 3.97Å; K63-E272 PolarHBondContact NZ-OE2 3.31Å; K63-I316 HydrophobicContact CB-CG2 3.8Å; K63-I316 HydrophobicContact CG-CG2 4Å; K63-N317 WeakPolarHBondContact CE-OD1 3.43Å; K63-L320 HydrophobicContact CB-CD1 4.15Å; K63-L320 HydrophobicContact CG-CD1 3.47Å; K63-L320 VanDerWaalsContact CG-CD1 3.47Å; K63-T454 PolarHBondContact NZ-O 3.09Å; K63-F455 HydrophobicContact CG-CE1 4.48Å
64L97.9Very high96.9Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-60.1-48.8174.1-82.9165.5000111.5Y42 V47 I49 L60 E62 R66 C68 L74 F143 L320Y42-L64 HydrophobicContact CD1-CD2 3.9Å; Y42-L64 HydrophobicContact CE1-CD2 4.06Å; Y42-L64 HydrophobicContact CG-CD2 4.19Å; V47-L64 HydrophobicContact CG1-CD1 4.27Å; I49-L64 HydrophobicContact CD1-CD1 3.9Å; L60-L64 HydrophobicContact CD1-CD1 4.24Å; L60-L64 HydrophobicContact CG-CD1 4.22Å; L60-L64 WeakPolarHBondContact O-CB 3.44Å; L60-L64 WeakPolarHBondContact O-CG 3.38Å; L60-L64 PolarHBondContact O-N 3.38Å; E62-L64 PolarHBondContact O-N 3.43Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.43Å; L64-C68 HydrophobicContact CD2-CB 4.45Å; L64-C68 CarbonylContact O-C 3.35Å; L64-C68 VanDerWaalsContact O-CA 3.25Å; L64-C68 WeakPolarHBondContact O-CA 3.06Å; L64-C68 VanDerWaalsContact O-CB 3.31Å; L64-C68 WeakPolarHBondContact O-CB 3.32Å; L64-C68 PolarHBondContact O-N 3.22Å; L64-C68 VanDerWaalsContact O-O 3.07Å; L64-L74 HydrophobicContact CB-CD1 4.29Å; L64-L74 HydrophobicContact CB-CD2 4.4Å; L64-L74 HydrophobicContact CD1-CD2 3.96Å; L64-F143 HydrophobicContact CD1-CE2 4.39Å; L64-L320 HydrophobicContact CD1-CD2 4.19Å; L64-L320 HydrophobicContact CD2-CD1 4.45Å; L64-L320 HydrophobicContact CD2-CD2 3.54Å; L64-L320 HydrophobicContact CG-CD1 4.38Å; L64-L320 HydrophobicContact CG-CD2 3.73Å
65L97.4Very high97.2Very high3 Ų323.2 Ų23.22%0.01612%0.116CC..Hα-helixtrans-67-33.2-178-68.9168.1000113.1V61 E62 V71 L74 F99 V102 F109 K112 I113V61-L65 HydrophobicContact CG1-CD1 3.85Å; V61-L65 VanDerWaalsContact O-CG 3.28Å; V61-L65 WeakPolarHBondContact O-CG 3.49Å; V61-L65 PolarHBondContact O-N 3.39Å; V61-L65 VanDerWaalsContact O-N 3.09Å; E62-L65 PolarHBondContact O-N 3.15Å; L65-V71 HydrophobicContact CD2-CG1 4.45Å; L65-L74 HydrophobicContact CD1-CD1 4.21Å; L65-L74 HydrophobicContact CD2-CD1 3.77Å; L65-L74 HydrophobicContact CD2-CG 4.46Å; L65-L74 HydrophobicContact CG-CD1 3.7Å; L65-F99 HydrophobicContact CD1-CE1 4.49Å; L65-V102 HydrophobicContact CB-CG1 3.79Å; L65-V102 HydrophobicContact CB-CG2 4.36Å; L65-V102 HydrophobicContact CD1-CG1 4.34Å; L65-F109 HydrophobicContact CD1-CB 4.42Å; L65-F109 HydrophobicContact CD1-CD2 3.66Å; L65-F109 HydrophobicContact CD1-CE2 4.39Å; L65-F109 HydrophobicContact CD1-CG 4.43Å; L65-F109 HydrophobicContact CD2-CB 4.44Å; L65-K112 HydrophobicContact CD2-CB 4.08Å; L65-K112 HydrophobicContact CD2-CD 4.28Å; L65-I113 HydrophobicContact CD1-CD1 4Å; L65-I113 HydrophobicContact CD1-CG1 4.32Å
66R96.2Very high97.4Very high25 Ų2521.7 Ų21.79%0.09411%0.109CC..Hα-helixtrans-80.5-49179.6-173.5169.448.883.31.3113.1E62 K63 L64 V102 E272E62-R66 WeakPolarHBondContact O-CB 3.21Å; E62-R66 PolarHBondContact O-N 3.3Å; E62-R66 VanDerWaalsContact OE1-CD 3.3Å; E62-R66 WeakPolarHBondContact OE1-CD 3.2Å; E62-R66 IonicContact OE1-CZ 3.89Å; E62-R66 IonicContact OE1-NE 2.77Å; E62-R66 PolarHBondContact OE1-NE 3.29Å; E62-R66 IonicContact OE1-NH2 3.41Å; E62-R66 IonicContact OE2-NE 2.75Å; E62-R66 IonicContact OE2-NH2 3.15Å; E62-R66 PolarHBondContact OE2-NH2 3.32Å; K63-R66 VanDerWaalsContact CD-NH2 3.34Å; K63-R66 PolarHBondContact O-N 3.16Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 3.43Å; R66-V102 HydrophobicContact CB-CG2 3.84Å; R66-E272 IonicContact CZ-OE1 2.82Å; R66-E272 IonicContact CZ-OE2 3.08Å; R66-E272 IonicContact NH1-OE1 2.66Å; R66-E272 PolarHBondContact NH1-OE1 3.33Å; R66-E272 IonicContact NH1-OE2 2.86Å; R66-E272 PolarHBondContact NH1-OE2 3.48Å; R66-E272 IonicContact NH2-OE1 3.53Å; R66-E272 PolarHBondContact NH2-OE1 3.36Å; R66-E272 IonicContact NH2-OE2 3.87Å; R66-E272 PolarHBondContact NH2-OE2 3.37Å
67S96.7Very high97.4Very high14 Ų1420.5 Ų20.510%0.09810%0.104CC..Hα-helixtrans-97-17.5-169.5-53.10000113.2K63 P69K63-S67 WeakPolarHBondContact CD-OG 3.23Å; K63-S67 VanDerWaalsContact CE-OG 3.23Å; K63-S67 WeakPolarHBondContact CE-OG 3.29Å; K63-S67 PolarHBondContact NZ-OG 2.87Å; K63-S67 VanDerWaalsContact O-CB 3.32Å; K63-S67 WeakPolarHBondContact O-CB 3.32Å; K63-S67 PolarHBondContact O-N 3.41Å; K63-S67 PolarHBondContact O-OG 2.74Å; S67-P69 VanDerWaalsContact C-CD 3.42Å
68C97Very high97.3Very high1 Ų120.5 Ų20.51%0.00710%0.104CC..  trans-125.261.3173.6-52.40000109.3Y42 L64 D70 V71Y42-C68 HydrophobicContact CG-CB 4.39Å; L64-C68 HydrophobicContact CD2-CB 4.45Å; L64-C68 CarbonylContact O-C 3.35Å; L64-C68 VanDerWaalsContact O-CA 3.25Å; L64-C68 WeakPolarHBondContact O-CA 3.06Å; L64-C68 VanDerWaalsContact O-CB 3.31Å; L64-C68 WeakPolarHBondContact O-CB 3.32Å; L64-C68 PolarHBondContact O-N 3.22Å; L64-C68 VanDerWaalsContact O-O 3.07Å; C68-D70 PolarHBondContact O-N 2.96Å; C68-D70 VanDerWaalsContact O-N 3.07Å; C68-V71 WeakPolarHBondContact O-CB 3.44Å; C68-V71 WeakPolarHBondContact O-CG1 3.41Å; C68-V71 PolarHBondContact O-N 2.71Å
69P94.3Very high96.9Very high56 Ų5625.3 Ų25.336%0.36412%0.121SC..THydrogen-bonded Turntrans-59-29.1-170.225.1-35.1000112S67 V71 K112S67-P69 VanDerWaalsContact C-CD 3.42Å; P69-V71 PolarHBondContact O-N 3.28Å; P69-K112 PolarHBondContact O-NZ 2.77Å
70D96.8Very high96.2Very high114 Ų11428.7 Ų28.761%0.6114%0.143SC*.THydrogen-bonded Turntrans-80.57.8-179.2-61.4-42.7000114.7A43 G44 C68 K72A43-D70 HydrophobicContact CB-CB 3.82Å; G44-D70 PolarHBondContact N-O 2.8Å; C68-D70 PolarHBondContact O-N 2.96Å; C68-D70 VanDerWaalsContact O-N 3.07Å; D70-K72 PolarHBondContact O-N 3.2Å
71V97.9Very high95.2Very high1 Ų134.9 Ų34.91%0.00617%0.17CC..  trans-55.4133.816971.40000110.2Y42 K45 V47 L65 C68 P69 L74 K112Y42-V71 WeakPolarHBondContact O-CA 3.19Å; K45-V71 VanDerWaalsContact O-CG2 3.24Å; K45-V71 WeakPolarHBondContact O-CG2 3.25Å; V47-V71 HydrophobicContact CG2-CG2 4.06Å; L65-V71 HydrophobicContact CD2-CG1 4.45Å; C68-V71 WeakPolarHBondContact O-CB 3.44Å; C68-V71 WeakPolarHBondContact O-CG1 3.41Å; C68-V71 PolarHBondContact O-N 2.71Å; P69-V71 PolarHBondContact O-N 3.28Å; V71-L74 HydrophobicContact CG1-CD2 4.22Å; V71-L74 HydrophobicContact CG1-CG 4.44Å; V71-L74 HydrophobicContact CG2-CD2 3.81Å; V71-K112 HydrophobicContact CG1-CD 4.44Å; V71-K112 WeakPolarHBondContact O-CD 3.39Å; V71-K112 WeakPolarHBondContact O-CE 3.31Å
72K98.1Very high94.2Very high134 Ų13439.9 Ų39.958%0.58321%0.211SC*.  trans-72.9-52.4-174.1178.5179.8178.4178.90111.5G44 K45 D70G44-K72 WeakPolarHBondContact O-CB 3.39Å; K45-K72 WeakPolarHBondContact O-CB 3.47Å; K45-K72 PolarHBondContact O-N 2.97Å; D70-K72 PolarHBondContact O-N 3.2Å
73A98.3Very high93.1Very high8 Ų844.1 Ų44.17%0.06626%0.255CS..EExtended strand (participates in β ladder)trans-154.8144.1-17800000111.8S46 V47 Y75 K112 V114S46-A73 CarbonylContact C-O 3.55Å; S46-A73 WeakPolarHBondContact CA-O 3.35Å; V47-A73 PolarHBondContact N-O 2.95Å; A73-Y75 HydrophobicContact CB-CD2 4.36Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; A73-K112 CarbonylContact C-O 3.52Å; A73-K112 WeakPolarHBondContact CA-O 3.48Å; A73-V114 HydrophobicContact CB-CG2 4.47Å
74L98.6Very high92.2Very high0 Ų046.3 Ų46.30%027%0.265CS..EExtended strand (participates in β ladder)trans-110.6101.3171-57.2-173.9000108.6V47 V61 L64 L65 V71 K112 V114V47-L74 HydrophobicContact CB-CD2 3.81Å; V47-L74 HydrophobicContact CG2-CD2 4.17Å; V47-L74 CarbonylContact O-C 3.4Å; V47-L74 WeakPolarHBondContact O-CA 3.46Å; V61-L74 HydrophobicContact CG1-CD1 3.93Å; L64-L74 HydrophobicContact CB-CD1 4.29Å; L64-L74 HydrophobicContact CB-CD2 4.4Å; L64-L74 HydrophobicContact CD1-CD2 3.96Å; L65-L74 HydrophobicContact CD1-CD1 4.21Å; L65-L74 HydrophobicContact CD2-CD1 3.77Å; L65-L74 HydrophobicContact CD2-CG 4.46Å; L65-L74 HydrophobicContact CG-CD1 3.7Å; V71-L74 HydrophobicContact CG1-CD2 4.22Å; V71-L74 HydrophobicContact CG1-CG 4.44Å; V71-L74 HydrophobicContact CG2-CD2 3.81Å; L74-K112 PolarHBondContact N-O 3.37Å; L74-V114 PolarHBondContact O-N 3.12Å
75Y98.6Very high91.6Very high23 Ų2349.4 Ų49.49%0.0929%0.287CS..EExtended strand (participates in β ladder)trans-79.3120172-64.8-82.2000109.2V47 L48 I49 A73 V114 I116 R134 L135 C138 V139V47-Y75 PolarHBondContact O-N 3.32Å; L48-Y75 CarbonylContact C-O 3.59Å; L48-Y75 WeakPolarHBondContact CA-O 3.27Å; L48-Y75 WeakPolarHBondContact CD1-O 3.42Å; I49-Y75 PolarHBondContact N-O 2.74Å; A73-Y75 HydrophobicContact CB-CD2 4.36Å; A73-Y75 HydrophobicContact CB-CE2 3.76Å; Y75-V114 WeakPolarHBondContact CA-O 3.45Å; Y75-V114 HydrophobicContact CD1-CB 3.71Å; Y75-V114 HydrophobicContact CD1-CG1 3.8Å; Y75-V114 HydrophobicContact CD1-CG2 4.48Å; Y75-V114 HydrophobicContact CE1-CB 3.79Å; Y75-V114 HydrophobicContact CE1-CG1 3.7Å; Y75-V114 HydrophobicContact CE1-CG2 4.16Å; Y75-I116 HydrophobicContact CD1-CD1 4.24Å; Y75-I116 HydrophobicContact CD1-CG1 4.26Å; Y75-R134 HydrophobicContact CE1-CG 4.07Å; Y75-L135 HydrophobicContact CD1-CD2 3.96Å; Y75-L135 HydrophobicContact CD2-CD2 4.4Å; Y75-L135 HydrophobicContact CG-CD2 3.77Å; Y75-C138 VanDerWaalsContact CE2-SG 3.56Å; Y75-C138 PolarHBondContact OH-SG 2.96Å; Y75-C138 VanDerWaalsContact OH-SG 3.35Å; Y75-V139 HydrophobicContact CD2-CG2 4.11Å
76I97.9Very high91.2Very high0 Ų051.9 Ų51.90%030%0.299CS..EExtended strand (participates in β ladder)trans-116.9124.3-178.361.8171.2000111I49 A52 V61 V78 V90 M93 I113 V114 P115 I116I49-I76 HydrophobicContact CB-CG2 4.39Å; A52-I76 HydrophobicContact CB-CB 3.65Å; A52-I76 HydrophobicContact CB-CG2 3.5Å; V61-I76 HydrophobicContact CG2-CG2 4.35Å; I76-V78 HydrophobicContact CD1-CG2 4.07Å; I76-V78 HydrophobicContact CG1-CG2 3.97Å; I76-V78 PolarHBondContact O-N 2.65Å; I76-V90 HydrophobicContact CD1-CG1 4.07Å; I76-V90 HydrophobicContact CD1-CG2 4Å; I76-M93 HydrophobicContact CD1-CE 4.06Å; I76-I113 HydrophobicContact CD1-CG2 3.53Å; I76-I113 HydrophobicContact CG1-CG2 4.01Å; I76-V114 PolarHBondContact N-O 3.49Å; I76-P115 HydrophobicContact CD1-CB 4.37Å; I76-P115 HydrophobicContact CG1-CB 4Å; I76-I116 PolarHBondContact O-N 3.41Å
77L96.3Very high90.8Very high10 Ų1059 Ų595%0.05233%0.331CS..EExtended strand (participates in β ladder)trans-77.8119.8174.6-60.9-166000109.9L48 I49 T50 I116 L120 I127L48-L77 HydrophobicContact CD1-CD2 3.81Å; L48-L77 HydrophobicContact CD1-CG 3.9Å; I49-L77 PolarHBondContact O-N 3.44Å; I49-L77 VanDerWaalsContact O-N 3.1Å; T50-L77 HydrophobicContact CG2-CD1 3.79Å; T50-L77 HydrophobicContact CG2-CG 4.29Å; L77-I116 HydrophobicContact CD2-CB 3.79Å; L77-I116 HydrophobicContact CD2-CG2 3.89Å; L77-L120 HydrophobicContact CD1-CD2 3.91Å; L77-I127 HydrophobicContact CD1-CD1 4.31Å; L77-I127 HydrophobicContact CD2-CD1 4.15Å
78V93.7Very high90.3Very high1 Ų163 Ų631%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-120.1118.1-175.8-174.40000110.2T53 I76 M86 V90 P115 I116 S118T53-V78 HydrophobicContact CG2-CG2 4.42Å; I76-V78 HydrophobicContact CD1-CG2 4.07Å; I76-V78 HydrophobicContact CG1-CG2 3.97Å; I76-V78 PolarHBondContact O-N 2.65Å; V78-M86 HydrophobicContact CB-CG 3.76Å; V78-M86 HydrophobicContact CB-SD 4.37Å; V78-M86 HydrophobicContact CG1-CG 3.74Å; V78-M86 HydrophobicContact CG2-CG 4.27Å; V78-V90 HydrophobicContact CG2-CG2 3.92Å; V78-P115 HydrophobicContact CG2-CB 4.13Å; V78-I116 PolarHBondContact N-O 2.68Å; V78-S118 PolarHBondContact O-N 3.4Å
79R89.5Confident90Very high135 Ų13565.5 Ų65.551%0.50936%0.357SS..  trans-66130.5174.5-167.7179.564.2-169.6-1.2111.8R89 S118 E119R79-R89 PolarHBondContact O-NH1 2.75Å; R79-S118 VanDerWaalsContact CA-O 3.27Å; R79-S118 WeakPolarHBondContact CA-O 3.36Å; R79-E119 WeakPolarHBondContact CD-OE1 3.45Å; R79-E119 WeakPolarHBondContact CD-OE2 3.34Å; R79-E119 WeakPolarHBondContact CG-OE2 3.41Å
80P82.3Confident89.9Confident74 Ų7463.1 Ų63.148%0.48134%0.342SS..  trans-55.4144.8168.1-24.534.5000111.6
81K78.9Confident89.7Confident129 Ų12959.7 Ų59.756%0.56133%0.326SS*.BIsolated β-bridgetrans-135.9130.5175.8-171.3-180175.8-1710109.1G83 Q84K81-G83 PolarHBondContact O-N 3.03Å; K81-Q84 PolarHBondContact O-N 3.07Å; K81-Q84 VanDerWaalsContact O-N 3.11Å; K81-Q84 VanDerWaalsContact O-O 3.04Å
82A76.4Confident89.3Confident106 Ų10662.7 Ų62.788%0.87634%0.342SS*.THydrogen-bonded Turntrans-54.8126.717700000110.3Q84A82-Q84 VanDerWaalsContact C-N 3.35Å; A82-Q84 PolarHBondContact O-N 2.9Å
83G74.3Confident89.1Confident89 Ų8956.7 Ų56.792%0.91832%0.316SS*.THydrogen-bonded Turntrans78.34.4178.900000116.4K81K81-G83 PolarHBondContact O-N 3.03Å
84Q79.9Confident88.9Confident50 Ų5057.9 Ų57.923%0.23432%0.321CS..BIsolated β-bridgetrans-136.7121.6175.2-167.9178.420.800110.6K81 A82 Q88 R89 D92K81-Q84 PolarHBondContact O-N 3.07Å; K81-Q84 VanDerWaalsContact O-N 3.11Å; K81-Q84 VanDerWaalsContact O-O 3.04Å; A82-Q84 VanDerWaalsContact C-N 3.35Å; A82-Q84 PolarHBondContact O-N 2.9Å; Q84-Q88 HydrophobicContact CG-CB 4.19Å; Q84-Q88 HydrophobicContact CG-CG 4.11Å; Q84-R89 HydrophobicContact CG-CB 4.44Å; Q84-D92 PolarHBondContact NE2-OD2 3.13Å
85S85.3Confident88.6Confident65 Ų6564.3 Ų64.346%0.45535%0.349SS..  trans-68.2153.4176.572.30000111.3K87 Q88 R89S85-K87 VanDerWaalsContact C-N 3.3Å; S85-K87 PolarHBondContact O-N 3.11Å; S85-Q88 WeakPolarHBondContact O-CB 3.48Å; S85-Q88 PolarHBondContact O-N 3.04Å; S85-Q88 VanDerWaalsContact OG-CB 3.24Å; S85-Q88 WeakPolarHBondContact OG-CB 3.46Å; S85-Q88 PolarHBondContact OG-N 2.83Å; S85-Q88 VanDerWaalsContact OG-N 3.11Å; S85-R89 PolarHBondContact O-N 3.15Å
86M88.8Confident88.3Confident54 Ų5464.7 Ų64.727%0.26636%0.355SS..Hα-helixtrans-56-46.3174.2-172.7-161.7-53.700111.6V78 Q88 R89 V90 P115 S117V78-M86 HydrophobicContact CB-CG 3.76Å; V78-M86 HydrophobicContact CB-SD 4.37Å; V78-M86 HydrophobicContact CG1-CG 3.74Å; V78-M86 HydrophobicContact CG2-CG 4.27Å; M86-Q88 VanDerWaalsContact C-N 3.29Å; M86-Q88 PolarHBondContact O-N 3.12Å; M86-R89 PolarHBondContact O-N 3.36Å; M86-R89 VanDerWaalsContact O-N 3.15Å; M86-V90 HydrophobicContact CG-CG2 4.5Å; M86-V90 VanDerWaalsContact O-CG2 3.3Å; M86-V90 WeakPolarHBondContact O-CG2 3.45Å; M86-V90 PolarHBondContact O-N 2.54Å; M86-P115 HydrophobicContact CG-CB 4.23Å; M86-P115 HydrophobicContact SD-CB 3.66Å; M86-P115 HydrophobicContact SD-CG 4.09Å; M86-S117 VanDerWaalsContact CE-N 3.27Å
87K86.4Confident88Confident176 Ų17670.1 Ų70.177%0.76538%0.378SS*.Hα-helixtrans-57.2-42.5177.7-173176.5-178.6177.10111.7S85 S91S85-K87 VanDerWaalsContact C-N 3.3Å; S85-K87 PolarHBondContact O-N 3.11Å; K87-S91 VanDerWaalsContact O-CB 3.29Å; K87-S91 WeakPolarHBondContact O-CB 3.31Å; K87-S91 PolarHBondContact O-N 3.37Å
88Q88.1Confident87.9Confident96 Ų9669.7 Ų69.745%0.44938%0.376SS..Hα-helixtrans-64.7-46.3176.6-1751765.100111.5Q84 S85 M86 V90 S91 D92Q84-Q88 HydrophobicContact CG-CB 4.19Å; Q84-Q88 HydrophobicContact CG-CG 4.11Å; S85-Q88 WeakPolarHBondContact O-CB 3.48Å; S85-Q88 PolarHBondContact O-N 3.04Å; S85-Q88 VanDerWaalsContact OG-CB 3.24Å; S85-Q88 WeakPolarHBondContact OG-CB 3.46Å; S85-Q88 PolarHBondContact OG-N 2.83Å; S85-Q88 VanDerWaalsContact OG-N 3.11Å; M86-Q88 VanDerWaalsContact C-N 3.29Å; M86-Q88 PolarHBondContact O-N 3.12Å; Q88-V90 VanDerWaalsContact C-N 3.3Å; Q88-V90 PolarHBondContact O-N 3.24Å; Q88-S91 WeakPolarHBondContact O-CB 3.21Å; Q88-S91 PolarHBondContact O-N 3.4Å; Q88-D92 WeakPolarHBondContact O-CB 3.31Å; Q88-D92 PolarHBondContact O-N 3.07Å
89R89.2Confident88Confident54 Ų5469.6 Ų69.620%0.20438%0.376CS..Hα-helixtrans-60.6-39.3179.6-173.3174.1171.7-178.1-1.6112.7T53 R79 Q84 S85 M86 M93T53-R89 HydrophobicContact CG2-CG 4.44Å; T53-R89 PolarHBondContact OG1-NH2 2.78Å; R79-R89 PolarHBondContact O-NH1 2.75Å; Q84-R89 HydrophobicContact CG-CB 4.44Å; S85-R89 PolarHBondContact O-N 3.15Å; M86-R89 PolarHBondContact O-N 3.36Å; M86-R89 VanDerWaalsContact O-N 3.15Å; R89-M93 PolarHBondContact O-N 3.45Å; R89-M93 VanDerWaalsContact O-N 3.13Å
90V92.4Very high88.2Confident7 Ų765.5 Ų65.54%0.04236%0.364CS..Hα-helixtrans-72-41.6176.7179.30000110.6I76 V78 M86 Q88 D92 M93 M94 I113 P115I76-V90 HydrophobicContact CD1-CG1 4.07Å; I76-V90 HydrophobicContact CD1-CG2 4Å; V78-V90 HydrophobicContact CG2-CG2 3.92Å; M86-V90 HydrophobicContact CG-CG2 4.5Å; M86-V90 VanDerWaalsContact O-CG2 3.3Å; M86-V90 WeakPolarHBondContact O-CG2 3.45Å; M86-V90 PolarHBondContact O-N 2.54Å; Q88-V90 VanDerWaalsContact C-N 3.3Å; Q88-V90 PolarHBondContact O-N 3.24Å; V90-D92 PolarHBondContact O-N 3.37Å; V90-M93 WeakPolarHBondContact O-CB 3.29Å; V90-M93 PolarHBondContact O-N 2.8Å; V90-M94 HydrophobicContact CG1-CE 4.06Å; V90-M94 HydrophobicContact CG1-SD 4.39Å; V90-M94 WeakPolarHBondContact O-CG 3.45Å; V90-M94 PolarHBondContact O-N 3.43Å; V90-I113 HydrophobicContact CG1-CG2 3.98Å; V90-P115 HydrophobicContact CG2-CB 3.69Å; V90-P115 HydrophobicContact CG2-CG 4.27Å
91S91.9Very high88.8Confident41 Ų4167 Ų6729%0.28736%0.36SS..Hα-helixtrans-59.1-45.5173.6-174.90000112.2K87 Q88 M93 M94 K95K87-S91 VanDerWaalsContact O-CB 3.29Å; K87-S91 WeakPolarHBondContact O-CB 3.31Å; K87-S91 PolarHBondContact O-N 3.37Å; Q88-S91 WeakPolarHBondContact O-CB 3.21Å; Q88-S91 PolarHBondContact O-N 3.4Å; S91-M93 VanDerWaalsContact C-N 3.3Å; S91-M93 PolarHBondContact O-N 2.68Å; S91-M94 PolarHBondContact O-N 2.79Å; S91-K95 WeakPolarHBondContact O-CG 3.42Å; S91-K95 PolarHBondContact O-N 3.12Å; S91-K95 WeakPolarHBondContact OG-CE 3.5Å
92D91.3Very high89.5Confident65 Ų6560.9 Ų60.935%0.34833%0.333SS..Hα-helixtrans-63.7-37.2178.6-65.1-21.9000111.6Q84 Q88 V90 K95Q84-D92 PolarHBondContact NE2-OD2 3.13Å; Q88-D92 WeakPolarHBondContact O-CB 3.31Å; Q88-D92 PolarHBondContact O-N 3.07Å; V90-D92 PolarHBondContact O-N 3.37Å; D92-K95 PolarHBondContact O-N 3.22Å
93M93.4Very high90.4Very high7 Ų760.4 Ų60.43%0.03431%0.309CS..Hα-helixtrans-59.6-49.7172.6-178.3-175.280.900111.5T53 K58 I76 R89 V90 S91 K95 C96 F99T53-M93 HydrophobicContact CG2-SD 3.99Å; K58-M93 HydrophobicContact CD-CG 4.2Å; K58-M93 HydrophobicContact CG-CG 3.84Å; K58-M93 HydrophobicContact CG-SD 4.06Å; I76-M93 HydrophobicContact CD1-CE 4.06Å; R89-M93 PolarHBondContact O-N 3.45Å; R89-M93 VanDerWaalsContact O-N 3.13Å; V90-M93 WeakPolarHBondContact O-CB 3.29Å; V90-M93 PolarHBondContact O-N 2.8Å; S91-M93 VanDerWaalsContact C-N 3.3Å; S91-M93 PolarHBondContact O-N 2.68Å; M93-K95 VanDerWaalsContact C-N 3.26Å; M93-K95 PolarHBondContact O-N 2.77Å; M93-C96 WeakPolarHBondContact O-CB 3.29Å; M93-C96 PolarHBondContact O-N 3.3Å; M93-C96 VanDerWaalsContact O-N 3.1Å; M93-F99 HydrophobicContact CE-CZ 4.36Å; M93-F99 HydrophobicContact CG-CE2 3.91Å; M93-F99 HydrophobicContact CG-CZ 4.33Å; M93-F99 WeakPolarHBondContact O-CD2 3.19Å; M93-F99 VanDerWaalsContact O-CE2 3.28Å; M93-F99 WeakPolarHBondContact O-CE2 3.33Å
94M93.1Very high91.4Very high34 Ų3463.6 Ų63.617%0.16730%0.3CS..Hα-helixtrans-69.1-20.3-178-65.6-176.6-61.200114V90 S91 C96 F99 R103 F109 H110 I113V90-M94 HydrophobicContact CG1-CE 4.06Å; V90-M94 HydrophobicContact CG1-SD 4.39Å; V90-M94 WeakPolarHBondContact O-CG 3.45Å; V90-M94 PolarHBondContact O-N 3.43Å; S91-M94 PolarHBondContact O-N 2.79Å; M94-C96 VanDerWaalsContact C-N 3.31Å; M94-F99 WeakPolarHBondContact O-CB 3.21Å; M94-R103 PolarHBondContact O-NH2 3.37Å; M94-F109 HydrophobicContact CB-CE2 4.21Å; M94-F109 HydrophobicContact CB-CZ 4.08Å; M94-F109 HydrophobicContact CG-CE2 3.92Å; M94-F109 HydrophobicContact CG-CZ 4.3Å; M94-F109 HydrophobicContact SD-CE2 3.9Å; M94-F109 HydrophobicContact SD-CZ 4.41Å; M94-H110 HydrophobicContact CE-CB 4.33Å; M94-H110 HydrophobicContact SD-CB 3.81Å; M94-I113 HydrophobicContact CG-CD1 3.98Å; M94-I113 HydrophobicContact SD-CD1 3.6Å
95K92.4Very high92Very high135 Ų13566.4 Ų66.459%0.58731%0.313SS*.THydrogen-bonded Turntrans-79.4-11.6172.7-72.4171.9-173.5169.30113.4S91 D92 M93S91-K95 WeakPolarHBondContact O-CG 3.42Å; S91-K95 PolarHBondContact O-N 3.12Å; S91-K95 WeakPolarHBondContact OG-CE 3.5Å; D92-K95 PolarHBondContact O-N 3.22Å; M93-K95 VanDerWaalsContact C-N 3.26Å; M93-K95 PolarHBondContact O-N 2.77Å
96C92.1Very high92.4Very high31 Ų3165.1 Ų65.121%0.20930%0.301CS..SBendtrans-60.2143.4176.9-172.40000110.1M93 M94 L98 F99M93-C96 WeakPolarHBondContact O-CB 3.29Å; M93-C96 PolarHBondContact O-N 3.3Å; M93-C96 VanDerWaalsContact O-N 3.1Å; M94-C96 VanDerWaalsContact C-N 3.31Å; C96-L98 HydrophobicContact CB-CB 4.35Å; C96-L98 PolarHBondContact O-N 3.42Å; C96-F99 HydrophobicContact CB-CD2 4.3Å; C96-F99 PolarHBondContact O-N 3.11Å
97K91.3Very high92.5Very high114 Ų11466.6 Ų66.650%0.49632%0.315SS..G310 helixtrans-54.1-24.9177-70.1-167.7174-176.70113.8F99 D100 F274 Y478K97-F99 PolarHBondContact O-N 3.22Å; K97-D100 WeakPolarHBondContact CA-OD2 3.44Å; K97-D100 WeakPolarHBondContact O-CB 3.39Å; K97-D100 PolarHBondContact O-N 3.06Å; K97-D100 VanDerWaalsContact O-N 3.12Å; K97-F274 HydrophobicContact CB-CZ 4.38Å; K97-Y478 HydrophobicContact CD-CE1 4.45Å
98L94.8Very high92.9Very high0 Ų062.4 Ų62.40%030%0.301CS..G310 helixtrans-49-40.7172.3-174.579.1000112.1K58 V59 E62 C96 P273 W277K58-L98 HydrophobicContact CB-CD2 3.5Å; K58-L98 WeakPolarHBondContact O-CD2 3.13Å; V59-L98 HydrophobicContact CG2-CD1 4.19Å; E62-L98 HydrophobicContact CB-CD2 4.07Å; E62-L98 HydrophobicContact CB-CG 4.13Å; E62-L98 HydrophobicContact CG-CG 4.09Å; E62-L98 WeakPolarHBondContact CG-O 3.36Å; C96-L98 HydrophobicContact CB-CB 4.35Å; C96-L98 PolarHBondContact O-N 3.42Å; L98-P273 VanDerWaalsContact CD1-CD 3.47Å; L98-P273 HydrophobicContact CD1-CG 3.23Å; L98-P273 HydrophobicContact CG-CG 4.07Å; L98-W277 HydrophobicContact CB-CH2 4.47Å; L98-W277 HydrophobicContact CB-CZ2 3.7Å; L98-W277 HydrophobicContact CD1-CD2 3.42Å; L98-W277 VanDerWaalsContact CD1-CD2 3.42Å; L98-W277 VanDerWaalsContact CD1-CE2 3.46Å; L98-W277 HydrophobicContact CD1-CE3 3.55Å; L98-W277 HydrophobicContact CD1-CG 4.1Å; L98-W277 HydrophobicContact CD1-CH2 3.75Å; L98-W277 HydrophobicContact CD1-CZ2 3.63Å; L98-W277 HydrophobicContact CD1-CZ3 3.72Å; L98-W277 HydrophobicContact CD2-CH2 3.78Å; L98-W277 HydrophobicContact CD2-CZ2 3.83Å; L98-W277 HydrophobicContact CD2-CZ3 4.37Å; L98-W277 HydrophobicContact CG-CD2 4.49Å; L98-W277 HydrophobicContact CG-CH2 4.22Å; L98-W277 HydrophobicContact CG-CZ2 3.92Å
99F95.8Very high93.2Very high0 Ų058.2 Ų58.20%028%0.281CS..G310 helixtrans-91.53.9-175.4-67.4-82.3000113.8V61 E62 L65 M93 M94 C96 K97 R101 V102 R103 F109V61-F99 HydrophobicContact CB-CE1 4.41Å; V61-F99 HydrophobicContact CB-CZ 4.37Å; V61-F99 HydrophobicContact CG1-CE1 3.91Å; V61-F99 HydrophobicContact CG1-CZ 4.15Å; E62-F99 HydrophobicContact CB-CD1 4.18Å; E62-F99 HydrophobicContact CB-CE1 3.86Å; E62-F99 HydrophobicContact CB-CZ 4.39Å; E62-F99 HydrophobicContact CG-CD1 4.34Å; L65-F99 HydrophobicContact CD1-CE1 4.49Å; M93-F99 HydrophobicContact CE-CZ 4.36Å; M93-F99 HydrophobicContact CG-CE2 3.91Å; M93-F99 HydrophobicContact CG-CZ 4.33Å; M93-F99 WeakPolarHBondContact O-CD2 3.19Å; M93-F99 VanDerWaalsContact O-CE2 3.28Å; M93-F99 WeakPolarHBondContact O-CE2 3.33Å; M94-F99 WeakPolarHBondContact O-CB 3.21Å; C96-F99 HydrophobicContact CB-CD2 4.3Å; C96-F99 PolarHBondContact O-N 3.11Å; K97-F99 PolarHBondContact O-N 3.22Å; F99-R101 VanDerWaalsContact C-N 3.34Å; F99-R101 PolarHBondContact O-N 2.68Å; F99-V102 PolarHBondContact O-N 3.4Å; F99-R103 WeakPolarHBondContact O-CB 3.28Å; F99-R103 PolarHBondContact O-N 3.21Å; F99-F109 HydrophobicContact CB-CZ 4.41Å; F99-F109 HydrophobicContact CD1-CE2 4.28Å
100D94.1Very high93.4Very high49 Ų4959.7 Ų59.726%0.26229%0.29SS..Hα-helixtrans-60.4-45.4-175.7-71.5-13.7000111.1K97 V102 R103 E104K97-D100 WeakPolarHBondContact CA-OD2 3.44Å; K97-D100 WeakPolarHBondContact O-CB 3.39Å; K97-D100 PolarHBondContact O-N 3.06Å; K97-D100 VanDerWaalsContact O-N 3.12Å; D100-V102 PolarHBondContact O-N 3.12Å; D100-R103 WeakPolarHBondContact O-CB 3.44Å; D100-R103 PolarHBondContact O-N 2.96Å; D100-R103 IonicContact OD1-CZ 3.48Å; D100-R103 VanDerWaalsContact OD1-CZ 3.29Å; D100-R103 IonicContact OD1-NH1 2.8Å; D100-R103 PolarHBondContact OD1-NH1 3.32Å; D100-R103 IonicContact OD1-NH2 3.4Å; D100-R103 PolarHBondContact OD1-NH2 2.92Å; D100-E104 WeakPolarHBondContact O-CG 3.41Å; D100-E104 PolarHBondContact O-N 2.81Å
101R93.9Very high93.6Very high104 Ų10465.7 Ų65.739%0.39232%0.318SS..Hα-helixtrans-62-45.7177.2-175.7174.5176.4-170.9-3.1112.8F99 R103 E104 E105F99-R101 VanDerWaalsContact C-N 3.34Å; F99-R101 PolarHBondContact O-N 2.68Å; R101-R103 VanDerWaalsContact C-N 3.26Å; R101-R103 PolarHBondContact O-N 2.89Å; R101-E104 PolarHBondContact O-N 3.48Å; R101-E105 HydrophobicContact CG-CG 4.4Å; R101-E105 WeakPolarHBondContact CG-OE1 3.18Å; R101-E105 IonicContact CZ-OE1 3.64Å; R101-E105 IonicContact NE-OE1 3.33Å; R101-E105 PolarHBondContact NE-OE1 3.45Å; R101-E105 IonicContact NE-OE2 3.37Å; R101-E105 IonicContact NH2-OE1 2.87Å; R101-E105 PolarHBondContact NH2-OE1 3.02Å; R101-E105 VanDerWaalsContact NH2-OE1 3.15Å; R101-E105 WeakPolarHBondContact O-CG 2.92Å; R101-E105 PolarHBondContact O-N 3.41Å
102V95.2Very high93.8Very high1 Ų166.1 Ų66.11%0.00631%0.314CS..Hα-helixtrans-60.1-39.4175.6175.40000110.9E62 L65 R66 F99 D100 E104 N106 F109E62-V102 HydrophobicContact CG-CG2 3.83Å; L65-V102 HydrophobicContact CB-CG1 3.79Å; L65-V102 HydrophobicContact CB-CG2 4.36Å; L65-V102 HydrophobicContact CD1-CG1 4.34Å; R66-V102 HydrophobicContact CB-CG2 3.84Å; F99-V102 PolarHBondContact O-N 3.4Å; D100-V102 PolarHBondContact O-N 3.12Å; V102-E104 VanDerWaalsContact C-N 3.33Å; V102-N106 CarbonylContact O-C 3.14Å; V102-N106 WeakPolarHBondContact O-CA 3.23Å; V102-N106 PolarHBondContact O-N 3.4Å; V102-F109 HydrophobicContact CG1-CB 3.7Å; V102-F109 HydrophobicContact CG1-CD1 3.88Å; V102-F109 HydrophobicContact CG1-CD2 4.05Å; V102-F109 HydrophobicContact CG1-CE1 4.5Å; V102-F109 HydrophobicContact CG1-CG 3.6Å
103R95Very high94.1Very high96 Ų9663.6 Ų63.636%0.36230%0.301SS..Hα-helixtrans-67-34.9179-167.3-174.3-49125.89.1112.3M94 F99 D100 R101 P107 F109M94-R103 PolarHBondContact O-NH2 3.37Å; F99-R103 WeakPolarHBondContact O-CB 3.28Å; F99-R103 PolarHBondContact O-N 3.21Å; D100-R103 WeakPolarHBondContact O-CB 3.44Å; D100-R103 PolarHBondContact O-N 2.96Å; D100-R103 IonicContact OD1-CZ 3.48Å; D100-R103 VanDerWaalsContact OD1-CZ 3.29Å; D100-R103 IonicContact OD1-NH1 2.8Å; D100-R103 PolarHBondContact OD1-NH1 3.32Å; D100-R103 IonicContact OD1-NH2 3.4Å; D100-R103 PolarHBondContact OD1-NH2 2.92Å; R101-R103 VanDerWaalsContact C-N 3.26Å; R101-R103 PolarHBondContact O-N 2.89Å; R103-P107 WeakPolarHBondContact O-CA 3.17Å; R103-F109 HydrophobicContact CB-CD1 4.49Å; R103-F109 HydrophobicContact CB-CE1 3.87Å; R103-F109 HydrophobicContact CG-CE1 4.05Å
104E94.1Very high94.3Very high157 Ų15765 Ų6573%0.73431%0.31SS*.Hα-helixtrans-72.7-44.8175.7-71.9170.1-17200111.8D100 R101 V102D100-E104 WeakPolarHBondContact O-CG 3.41Å; D100-E104 PolarHBondContact O-N 2.81Å; R101-E104 PolarHBondContact O-N 3.48Å; V102-E104 VanDerWaalsContact C-N 3.33Å
105E93.6Very high94.5Very high108 Ų10865.6 Ų65.651%0.50532%0.316SS..Hα-helixtrans-78.5-31.4-177.3-67.6176-179.500112.8R101R101-E105 HydrophobicContact CG-CG 4.4Å; R101-E105 WeakPolarHBondContact CG-OE1 3.18Å; R101-E105 IonicContact CZ-OE1 3.64Å; R101-E105 IonicContact NE-OE1 3.33Å; R101-E105 PolarHBondContact NE-OE1 3.45Å; R101-E105 IonicContact NE-OE2 3.37Å; R101-E105 IonicContact NH2-OE1 2.87Å; R101-E105 PolarHBondContact NH2-OE1 3.02Å; R101-E105 VanDerWaalsContact NH2-OE1 3.15Å; R101-E105 WeakPolarHBondContact O-CG 2.92Å; R101-E105 PolarHBondContact O-N 3.41Å
106N92.6Very high94.6Very high39 Ų3959.2 Ų59.221%0.20929%0.288CS..  trans-143.586.3-179.9-177.2-2.5000111.3V102 D108 F109V102-N106 CarbonylContact O-C 3.14Å; V102-N106 WeakPolarHBondContact O-CA 3.23Å; V102-N106 PolarHBondContact O-N 3.4Å; N106-D108 PolarHBondContact O-N 3.44Å; N106-D108 VanDerWaalsContact O-N 3.09Å; N106-D108 PolarHBondContact OD1-N 3.45Å; N106-F109 HydrophobicContact CB-CB 4.43Å; N106-F109 WeakPolarHBondContact O-CB 3.43Å; N106-F109 VanDerWaalsContact O-CD1 3.28Å; N106-F109 WeakPolarHBondContact O-CD1 3.35Å; N106-F109 PolarHBondContact O-N 2.8Å; N106-F109 VanDerWaalsContact O-N 3.08Å; N106-F109 PolarHBondContact OD1-N 3.37Å
107P92.1Very high94.8Very high85 Ų8559.8 Ų59.855%0.55229%0.293SS*.THydrogen-bonded Turntrans-57.1-29.1-176.8-27.836.1000114.9R103 H110R103-P107 WeakPolarHBondContact O-CA 3.17Å; P107-H110 PolarHBondContact O-ND1 3.12Å
108D93.6Very high94.9Very high88 Ų8854.5 Ų54.547%0.47127%0.27SS..THydrogen-bonded Turntrans-92.29.9-177.7-71.4-48.2000114N106 H110 Q111N106-D108 PolarHBondContact O-N 3.44Å; N106-D108 VanDerWaalsContact O-N 3.09Å; N106-D108 PolarHBondContact OD1-N 3.45Å; D108-H110 PolarHBondContact O-N 2.97Å; D108-H110 IonicContact OD1-CE1 3.64Å; D108-Q111 HydrophobicContact CB-CG 4.43Å; D108-Q111 WeakPolarHBondContact O-CB 3.29Å; D108-Q111 WeakPolarHBondContact O-CG 3.37Å; D108-Q111 PolarHBondContact O-N 3.22Å; D108-Q111 PolarHBondContact OD1-NE2 3.42Å
109F94.6Very high94.8Very high7 Ų756.6 Ų56.63%0.03128%0.28CS..G310 helixtrans-51.8-31.1-178.779.2-92.9000113.7L65 M94 F99 V102 R103 N106 Q111 K112 I113L65-F109 HydrophobicContact CD1-CB 4.42Å; L65-F109 HydrophobicContact CD1-CD2 3.66Å; L65-F109 HydrophobicContact CD1-CE2 4.39Å; L65-F109 HydrophobicContact CD1-CG 4.43Å; L65-F109 HydrophobicContact CD2-CB 4.44Å; M94-F109 HydrophobicContact CB-CE2 4.21Å; M94-F109 HydrophobicContact CB-CZ 4.08Å; M94-F109 HydrophobicContact CG-CE2 3.92Å; M94-F109 HydrophobicContact CG-CZ 4.3Å; M94-F109 HydrophobicContact SD-CE2 3.9Å; M94-F109 HydrophobicContact SD-CZ 4.41Å; F99-F109 HydrophobicContact CB-CZ 4.41Å; F99-F109 HydrophobicContact CD1-CE2 4.28Å; V102-F109 HydrophobicContact CG1-CB 3.7Å; V102-F109 HydrophobicContact CG1-CD1 3.88Å; V102-F109 HydrophobicContact CG1-CD2 4.05Å; V102-F109 HydrophobicContact CG1-CE1 4.5Å; V102-F109 HydrophobicContact CG1-CG 3.6Å; R103-F109 HydrophobicContact CB-CD1 4.49Å; R103-F109 HydrophobicContact CB-CE1 3.87Å; R103-F109 HydrophobicContact CG-CE1 4.05Å; N106-F109 HydrophobicContact CB-CB 4.43Å; N106-F109 WeakPolarHBondContact O-CB 3.43Å; N106-F109 VanDerWaalsContact O-CD1 3.28Å; N106-F109 WeakPolarHBondContact O-CD1 3.35Å; N106-F109 PolarHBondContact O-N 2.8Å; N106-F109 VanDerWaalsContact O-N 3.08Å; N106-F109 PolarHBondContact OD1-N 3.37Å; F109-Q111 PolarHBondContact O-N 2.98Å; F109-K112 WeakPolarHBondContact O-CB 3.3Å; F109-K112 PolarHBondContact O-N 3.45Å; F109-I113 HydrophobicContact CD2-CD1 4Å; F109-I113 HydrophobicContact CE2-CD1 3.98Å
110H94.1Very high94.6Very high86 Ų8657.5 Ų57.540%0.39829%0.285SS..G310 helixtrans-61.6-26.5-178.964.9-84.4000112.6M94 P107 D108 K112 I113M94-H110 HydrophobicContact CE-CB 4.33Å; M94-H110 HydrophobicContact SD-CB 3.81Å; P107-H110 PolarHBondContact O-ND1 3.12Å; D108-H110 PolarHBondContact O-N 2.97Å; D108-H110 IonicContact OD1-CE1 3.64Å; H110-K112 PolarHBondContact O-N 2.95Å; H110-I113 PolarHBondContact O-N 2.79Å
111Q95.9Very high94.5Very high133 Ų13356.5 Ų56.562%0.62128%0.28SS*.G310 helixtrans-66.8-24.2176.4-58.5-177.91500112.2D108 F109 I113D108-Q111 HydrophobicContact CB-CG 4.43Å; D108-Q111 WeakPolarHBondContact O-CB 3.29Å; D108-Q111 WeakPolarHBondContact O-CG 3.37Å; D108-Q111 PolarHBondContact O-N 3.22Å; D108-Q111 PolarHBondContact OD1-NE2 3.42Å; F109-Q111 PolarHBondContact O-N 2.98Å; Q111-I113 VanDerWaalsContact C-N 3.34Å
112K97.1Very high94.5Very high49 Ų4956.2 Ų56.221%0.21328%0.284CS..G310 helixtrans-80.9-15.3177.3-64.4178.8172.4179.50112.6L65 P69 V71 A73 L74 F109 H110L65-K112 HydrophobicContact CD2-CB 4.08Å; L65-K112 HydrophobicContact CD2-CD 4.28Å; P69-K112 PolarHBondContact O-NZ 2.77Å; V71-K112 HydrophobicContact CG1-CD 4.44Å; V71-K112 WeakPolarHBondContact O-CD 3.39Å; V71-K112 WeakPolarHBondContact O-CE 3.31Å; A73-K112 CarbonylContact C-O 3.52Å; A73-K112 WeakPolarHBondContact CA-O 3.48Å; L74-K112 PolarHBondContact N-O 3.37Å; F109-K112 WeakPolarHBondContact O-CB 3.3Å; F109-K112 PolarHBondContact O-N 3.45Å; H110-K112 PolarHBondContact O-N 2.95Å
113I97.7Very high94.4Very high13 Ų1361.1 Ų61.17%0.06732%0.315CS..EExtended strand (participates in β ladder)trans-91.9112.2-178.8-62.1168.6000109.3V61 L65 I76 V90 M94 F109 H110 Q111 P115V61-I113 HydrophobicContact CG1-CD1 4.2Å; L65-I113 HydrophobicContact CD1-CD1 4Å; L65-I113 HydrophobicContact CD1-CG1 4.32Å; I76-I113 HydrophobicContact CD1-CG2 3.53Å; I76-I113 HydrophobicContact CG1-CG2 4.01Å; V90-I113 HydrophobicContact CG1-CG2 3.98Å; M94-I113 HydrophobicContact CG-CD1 3.98Å; M94-I113 HydrophobicContact SD-CD1 3.6Å; F109-I113 HydrophobicContact CD2-CD1 4Å; F109-I113 HydrophobicContact CE2-CD1 3.98Å; H110-I113 PolarHBondContact O-N 2.79Å; Q111-I113 VanDerWaalsContact C-N 3.34Å; I113-P115 WeakPolarHBondContact O-CD 3.48Å
114V97.3Very high94.2Very high37 Ų3759.2 Ų59.222%0.22433%0.326CS..EExtended strand (participates in β ladder)trans-110.6101.1179.8-1730000109.4A73 L74 Y75 I76 I116A73-V114 HydrophobicContact CB-CG2 4.47Å; L74-V114 PolarHBondContact O-N 3.12Å; Y75-V114 WeakPolarHBondContact CA-O 3.45Å; Y75-V114 HydrophobicContact CD1-CB 3.71Å; Y75-V114 HydrophobicContact CD1-CG1 3.8Å; Y75-V114 HydrophobicContact CD1-CG2 4.48Å; Y75-V114 HydrophobicContact CE1-CB 3.79Å; Y75-V114 HydrophobicContact CE1-CG1 3.7Å; Y75-V114 HydrophobicContact CE1-CG2 4.16Å; I76-V114 PolarHBondContact N-O 3.49Å; V114-I116 HydrophobicContact CG1-CD1 4.3Å
115P96.7Very high94.2Very high46 Ų4651.9 Ų51.930%0.29929%0.291SS..EExtended strand (participates in β ladder)trans-80.5136-178.434.9-36.5000111.7I76 V78 M86 V90 I113I76-P115 HydrophobicContact CD1-CB 4.37Å; I76-P115 HydrophobicContact CG1-CB 4Å; V78-P115 HydrophobicContact CG2-CB 4.13Å; M86-P115 HydrophobicContact CG-CB 4.23Å; M86-P115 HydrophobicContact SD-CB 3.66Å; M86-P115 HydrophobicContact SD-CG 4.09Å; V90-P115 HydrophobicContact CG2-CB 3.69Å; V90-P115 HydrophobicContact CG2-CG 4.27Å; I113-P115 WeakPolarHBondContact O-CD 3.48Å
116I96.3Very high94.3Very high0 Ų050 Ų500%029%0.29CS..EExtended strand (participates in β ladder)trans-118.7130.5-179.7-55.1-63.5000108.8Y75 I76 L77 V78 V114 S118 I127 D131Y75-I116 HydrophobicContact CD1-CD1 4.24Å; Y75-I116 HydrophobicContact CD1-CG1 4.26Å; I76-I116 PolarHBondContact O-N 3.41Å; L77-I116 HydrophobicContact CD2-CB 3.79Å; L77-I116 HydrophobicContact CD2-CG2 3.89Å; V78-I116 PolarHBondContact N-O 2.68Å; V114-I116 HydrophobicContact CG1-CD1 4.3Å; I116-S118 PolarHBondContact O-N 2.96Å; I116-I127 HydrophobicContact CG2-CG2 3.9Å; I116-D131 HydrophobicContact CD1-CB 4.12Å; I116-D131 WeakPolarHBondContact CD1-OD1 3.46Å; I116-D131 HydrophobicContact CG2-CB 3.86Å
117S95Very high94.4Very high44 Ų4449.1 Ų49.131%0.30829%0.285SS..EExtended strand (participates in β ladder)trans-68.1128.6174.1-162.80000109.4M86M86-S117 VanDerWaalsContact CE-N 3.27Å
118S94.4Very high94.6Very high3 Ų347.7 Ų47.72%0.02128%0.277CS..  trans-155.4139175.7175.20000110.9V78 R79 I116 L125V78-S118 PolarHBondContact O-N 3.4Å; R79-S118 VanDerWaalsContact CA-O 3.27Å; R79-S118 WeakPolarHBondContact CA-O 3.36Å; I116-S118 PolarHBondContact O-N 2.96Å; S118-L125 CarbonylContact C-O 3.6Å; S118-L125 WeakPolarHBondContact CA-O 3.24Å; S118-L125 WeakPolarHBondContact CB-O 3.18Å; S118-L125 PolarHBondContact OG-O 3.42Å
119E92.7Very high94.8Very high44 Ų4447.6 Ų47.621%0.20629%0.289CS..  trans-116104.8164.2-178.660.6-94.500108.3R79 T121 Q122 L125R79-E119 WeakPolarHBondContact CD-OE1 3.45Å; R79-E119 WeakPolarHBondContact CD-OE2 3.34Å; R79-E119 WeakPolarHBondContact CG-OE2 3.41Å; E119-T121 PolarHBondContact O-N 3.46Å; E119-T121 VanDerWaalsContact O-N 3.13Å; E119-Q122 HydrophobicContact CB-CB 4.27Å; E119-Q122 HydrophobicContact CB-CG 3.84Å; E119-Q122 HydrophobicContact CG-CB 4.29Å; E119-Q122 HydrophobicContact CG-CG 3.52Å; E119-Q122 PolarHBondContact O-N 3.27Å; E119-L125 CarbonylContact C-O 3.17Å; E119-L125 PolarHBondContact N-O 2.78Å; E119-L125 CarbonylContact O-C 3.56Å
120L91.8Very high94.9Very high19 Ų1950.2 Ų50.210%0.09931%0.312CS..THydrogen-bonded Turntrans-62.2-25.5-172-66.3-176.9000113.1L77 Q122 L125 A146 L161 A165L77-L120 HydrophobicContact CD1-CD2 3.91Å; L120-Q122 VanDerWaalsContact C-N 3.31Å; L120-L125 HydrophobicContact CD2-CD2 3.94Å; L120-A146 HydrophobicContact CD1-CB 3.31Å; L120-L161 HydrophobicContact CB-CD1 4.01Å; L120-L161 HydrophobicContact CD1-CD1 4.33Å; L120-A165 HydrophobicContact CB-CB 3.96Å; L120-A165 VanDerWaalsContact O-CB 3.25Å; L120-A165 WeakPolarHBondContact O-CB 3.43Å
121T90.9Very high95.1Very high28 Ų2847.4 Ų47.417%0.17230%0.3CS..THydrogen-bonded Turntrans-82.2-7.7178.661.20000113.3E119 Q160 L161E119-T121 PolarHBondContact O-N 3.46Å; E119-T121 VanDerWaalsContact O-N 3.13Å; T121-Q160 HydrophobicContact CG2-CG 3.93Å; T121-Q160 PolarHBondContact O-NE2 3.04Å; T121-L161 HydrophobicContact CG2-CB 4.25Å; T121-L161 HydrophobicContact CG2-CD1 3.98Å
122Q93.6Very high95.2Very high98 Ų9842.9 Ų42.946%0.45828%0.281SS..SBendtrans-95.7153.5-179.9-65.6-61.8-28.800111.2E119 L120 L125 Q168E119-Q122 HydrophobicContact CB-CB 4.27Å; E119-Q122 HydrophobicContact CB-CG 3.84Å; E119-Q122 HydrophobicContact CG-CB 4.29Å; E119-Q122 HydrophobicContact CG-CG 3.52Å; E119-Q122 PolarHBondContact O-N 3.27Å; L120-Q122 VanDerWaalsContact C-N 3.31Å; Q122-L125 WeakPolarHBondContact O-CA 3.41Å; Q122-L125 PolarHBondContact O-N 2.85Å; Q122-Q168 PolarHBondContact O-OE1 3.18Å
123P92.6Very high95.3Very high104 Ų10447.5 Ų47.568%0.67530%0.303SS*.G310 helixtrans-53.9139.4174.6-25.534.8000112.6L125 S126P123-L125 PolarHBondContact O-N 3.26Å; P123-S126 PolarHBondContact O-N 3.46Å
124G91.4Very high95.3Very high56 Ų5652.4 Ų52.458%0.57732%0.321SS*.G310 helixtrans61.723.1-176.900000113.3S126 I127G124-S126 PolarHBondContact O-N 2.78Å; G124-I127 PolarHBondContact O-N 3.45Å
125L94.4Very high95.3Very high3 Ų350.7 Ų50.72%0.01631%0.31CS..G310 helixtrans56.612.6-175.8-51175.7000114.4S118 E119 L120 Q122 P123 I127 Q168 L169 L172S118-L125 CarbonylContact C-O 3.6Å; S118-L125 WeakPolarHBondContact CA-O 3.24Å; S118-L125 WeakPolarHBondContact CB-O 3.18Å; S118-L125 PolarHBondContact OG-O 3.42Å; E119-L125 CarbonylContact C-O 3.17Å; E119-L125 PolarHBondContact N-O 2.78Å; E119-L125 CarbonylContact O-C 3.56Å; L120-L125 HydrophobicContact CD2-CD2 3.94Å; Q122-L125 WeakPolarHBondContact O-CA 3.41Å; Q122-L125 PolarHBondContact O-N 2.85Å; P123-L125 PolarHBondContact O-N 3.26Å; L125-I127 HydrophobicContact CB-CD1 3.82Å; L125-I127 HydrophobicContact CB-CG1 3.9Å; L125-I127 HydrophobicContact CD1-CD1 4.01Å; L125-I127 PolarHBondContact O-N 2.84Å; L125-Q168 HydrophobicContact CD2-CB 3.65Å; L125-Q168 HydrophobicContact CG-CB 4.09Å; L125-Q168 VanDerWaalsContact N-OE1 3.12Å; L125-L169 HydrophobicContact CD1-CB 4.2Å; L125-L169 HydrophobicContact CD1-CD1 3.75Å; L125-L172 HydrophobicContact CD1-CD2 4.16Å
126S94.9Very high95.4Very high68 Ų6849.2 Ų49.248%0.47630%0.3SS..G310 helixtrans47.139.9-171.1-163.70000113.7P123 G124P123-S126 PolarHBondContact O-N 3.46Å; G124-S126 PolarHBondContact O-N 2.78Å
127I95.9Very high95.5Very high21 Ų2150.9 Ų50.911%0.10832%0.318CS..  trans-89.4142.5174.3-59.7172.8000108.9L77 I116 G124 L125 D131 V132 L135 L172L77-I127 HydrophobicContact CD1-CD1 4.31Å; L77-I127 HydrophobicContact CD2-CD1 4.15Å; I116-I127 HydrophobicContact CG2-CG2 3.9Å; G124-I127 PolarHBondContact O-N 3.45Å; L125-I127 HydrophobicContact CB-CD1 3.82Å; L125-I127 HydrophobicContact CB-CG1 3.9Å; L125-I127 HydrophobicContact CD1-CD1 4.01Å; L125-I127 PolarHBondContact O-N 2.84Å; I127-D131 HydrophobicContact CG2-CB 3.58Å; I127-V132 HydrophobicContact CB-CG2 3.98Å; I127-V132 HydrophobicContact CG2-CG2 3.77Å; I127-L135 HydrophobicContact CD1-CD1 4.19Å; I127-L135 HydrophobicContact CG2-CD1 4.43Å; I127-L172 HydrophobicContact CD1-CD2 4.02Å
128S96.3Very high95.6Very high55 Ų5550 Ų5039%0.38531%0.311SS..  trans-66.9149.417781.30000111.1A130 D131 V132S128-A130 PolarHBondContact O-N 3.48Å; S128-D131 PolarHBondContact O-N 2.92Å; S128-D131 WeakPolarHBondContact OG-CB 3.44Å; S128-D131 PolarHBondContact OG-N 3.23Å; S128-D131 VanDerWaalsContact OG-N 3.14Å; S128-D131 PolarHBondContact OG-OD2 3.41Å; S128-V132 WeakPolarHBondContact O-CG2 3.4Å; S128-V132 PolarHBondContact O-N 3Å
129A97.1Very high95.8Very high86 Ų8649.9 Ų49.971%0.71131%0.31SS*.Hα-helixtrans-57.1-39.1179.400000112.7D131 V132 E133A129-D131 PolarHBondContact O-N 3.44Å; A129-V132 PolarHBondContact O-N 2.9Å; A129-E133 PolarHBondContact O-N 3.39Å
130A97.7Very high96.1Very high62 Ų6248.7 Ų48.751%0.51231%0.306SS..Hα-helixtrans-65.1-36.9176.300000112.6S128 R134S128-A130 PolarHBondContact O-N 3.48Å; A130-R134 WeakPolarHBondContact O-CB 3.28Å; A130-R134 PolarHBondContact O-N 3.36Å
131D97.6Very high96.4Very high27 Ų2747.8 Ų47.814%0.14430%0.301CS..Hα-helixtrans-75.7-33.2175.4-69.2-44.8000111.9I116 I127 S128 A129 R134 L135I116-D131 HydrophobicContact CD1-CB 4.12Å; I116-D131 WeakPolarHBondContact CD1-OD1 3.46Å; I116-D131 HydrophobicContact CG2-CB 3.86Å; I127-D131 HydrophobicContact CG2-CB 3.58Å; S128-D131 PolarHBondContact O-N 2.92Å; S128-D131 WeakPolarHBondContact OG-CB 3.44Å; S128-D131 PolarHBondContact OG-N 3.23Å; S128-D131 VanDerWaalsContact OG-N 3.14Å; S128-D131 PolarHBondContact OG-OD2 3.41Å; A129-D131 PolarHBondContact O-N 3.44Å; D131-R134 PolarHBondContact O-N 3.25Å; D131-R134 IonicContact OD1-CZ 2.92Å; D131-R134 IonicContact OD1-NH1 2.68Å; D131-R134 PolarHBondContact OD1-NH1 3.09Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 WeakPolarHBondContact O-CG 3.41Å; D131-L135 PolarHBondContact O-N 3.36Å
132V98.1Very high96.8Very high38 Ų3846.5 Ų46.523%0.2329%0.293CS..Hα-helixtrans-58.6-52.4170.9170.10000109.8I127 S128 A129 R134 L135 T136 L172I127-V132 HydrophobicContact CB-CG2 3.98Å; I127-V132 HydrophobicContact CG2-CG2 3.77Å; S128-V132 WeakPolarHBondContact O-CG2 3.4Å; S128-V132 PolarHBondContact O-N 3Å; A129-V132 PolarHBondContact O-N 2.9Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 2.93Å; V132-L135 PolarHBondContact O-N 3.32Å; V132-L135 VanDerWaalsContact O-N 3.12Å; V132-T136 HydrophobicContact CG1-CG2 4.28Å; V132-T136 WeakPolarHBondContact O-CG2 3.43Å; V132-T136 PolarHBondContact O-N 2.93Å; V132-T136 PolarHBondContact O-OG1 2.99Å; V132-T136 VanDerWaalsContact O-OG1 3.09Å; V132-L172 HydrophobicContact CG1-CD1 3.93Å
133E98.1Very high97Very high145 Ų14541.8 Ų41.868%0.67827%0.271SS*.Hα-helixtrans-57.5-42.3177.3-176.4-178.9-173.800112A129 T136 G137A129-E133 PolarHBondContact O-N 3.39Å; E133-T136 WeakPolarHBondContact CA-OG1 3.38Å; E133-T136 PolarHBondContact O-OG1 3.37Å; E133-T136 VanDerWaalsContact O-OG1 3.1Å; E133-G137 PolarHBondContact O-N 3.09Å
134R97.9Very high97.3Very high117 Ų11736.9 Ų36.944%0.44224%0.239SC..Hα-helixtrans-60.7-48.3175-177.2-179.9-66.2150.8-7.9111.7Y75 A130 D131 V132 G137 C138Y75-R134 HydrophobicContact CE1-CG 4.07Å; A130-R134 WeakPolarHBondContact O-CB 3.28Å; A130-R134 PolarHBondContact O-N 3.36Å; D131-R134 PolarHBondContact O-N 3.25Å; D131-R134 IonicContact OD1-CZ 2.92Å; D131-R134 IonicContact OD1-NH1 2.68Å; D131-R134 PolarHBondContact OD1-NH1 3.09Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 2.93Å; R134-G137 PolarHBondContact O-N 3.08Å; R134-C138 PolarHBondContact O-N 2.91Å; R134-C138 PolarHBondContact O-SG 2.96Å
135L98.4Very high97.5Very high0 Ų035.2 Ų35.20%022%0.218CC..Hα-helixtrans-66-44.3-177.9-69.6173.3000111.2L48 Y75 I127 D131 V132 G137 V139 L172 M176L48-L135 HydrophobicContact CD1-CD2 3.92Å; L48-L135 HydrophobicContact CD2-CD2 4.48Å; Y75-L135 HydrophobicContact CD1-CD2 3.96Å; Y75-L135 HydrophobicContact CD2-CD2 4.4Å; Y75-L135 HydrophobicContact CG-CD2 3.77Å; I127-L135 HydrophobicContact CD1-CD1 4.19Å; I127-L135 HydrophobicContact CG2-CD1 4.43Å; D131-L135 WeakPolarHBondContact O-CB 3.38Å; D131-L135 WeakPolarHBondContact O-CG 3.41Å; D131-L135 PolarHBondContact O-N 3.36Å; V132-L135 PolarHBondContact O-N 3.32Å; V132-L135 VanDerWaalsContact O-N 3.12Å; L135-G137 VanDerWaalsContact C-N 3.31Å; L135-G137 PolarHBondContact O-N 3.5Å; L135-V139 HydrophobicContact CB-CG2 4.3Å; L135-V139 HydrophobicContact CD2-CG2 3.79Å; L135-V139 WeakPolarHBondContact O-CB 3.41Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.46Å; L135-V139 PolarHBondContact O-N 3.35Å; L135-V139 VanDerWaalsContact O-N 3.15Å; L135-L172 HydrophobicContact CD1-CD2 4.35Å; L135-M176 HydrophobicContact CB-CE 4.35Å
136T98.3Very high97.3Very high15 Ų1535.7 Ų35.79%0.09222%0.222CC..Hα-helixtrans-66.3-33.5178.456.80000112.6V132 E133 L172 Q175 M176 H177V132-T136 HydrophobicContact CG1-CG2 4.28Å; V132-T136 WeakPolarHBondContact O-CG2 3.43Å; V132-T136 PolarHBondContact O-N 2.93Å; V132-T136 PolarHBondContact O-OG1 2.99Å; V132-T136 VanDerWaalsContact O-OG1 3.09Å; E133-T136 WeakPolarHBondContact CA-OG1 3.38Å; E133-T136 PolarHBondContact O-OG1 3.37Å; E133-T136 VanDerWaalsContact O-OG1 3.1Å; T136-L172 HydrophobicContact CG2-CD1 3.9Å; T136-Q175 WeakPolarHBondContact CB-O 3.37Å; T136-Q175 HydrophobicContact CG2-CB 3.71Å; T136-M176 WeakPolarHBondContact O-CA 3Å; T136-H177 PolarHBondContact O-CD2 3.21Å; T136-H177 PolarHBondContact O-N 3.38Å
137G98.1Very high96.8Very high35 Ų3533.9 Ų33.936%0.36121%0.211SC..Hα-helixtrans-79-14.4-178.600000116.2E133 R134 L135 H178E133-G137 PolarHBondContact O-N 3.09Å; R134-G137 PolarHBondContact O-N 3.08Å; L135-G137 VanDerWaalsContact C-N 3.31Å; L135-G137 PolarHBondContact O-N 3.5Å; G137-H178 PolarHBondContact O-CD2 3.45Å; G137-H178 VanDerWaalsContact O-CD2 3.25Å
138C97.5Very high95.9Very high26 Ų2633.4 Ų33.418%0.17621%0.209CC..Hα-helixtrans-143.9-13.8-172.675.90000117.7S46 Y75 R134 N140S46-C138 WeakPolarHBondContact CB-O 3.5Å; S46-C138 PolarHBondContact OG-O 3.17Å; Y75-C138 VanDerWaalsContact CE2-SG 3.56Å; Y75-C138 PolarHBondContact OH-SG 2.96Å; Y75-C138 VanDerWaalsContact OH-SG 3.35Å; R134-C138 PolarHBondContact O-N 2.91Å; R134-C138 PolarHBondContact O-SG 2.96Å; C138-N140 PolarHBondContact O-OD1 3.17Å
139V98.8Very high95Very high0 Ų035.4 Ų35.40%022%0.215CC..  trans-72.7131.9-176.9172.20000110.9L48 Y75 L135 I141 V142 M176 H178 L179L48-V139 HydrophobicContact CB-CG1 3.82Å; L48-V139 HydrophobicContact CB-CG2 4.12Å; Y75-V139 HydrophobicContact CD2-CG2 4.11Å; L135-V139 HydrophobicContact CB-CG2 4.3Å; L135-V139 HydrophobicContact CD2-CG2 3.79Å; L135-V139 WeakPolarHBondContact O-CB 3.41Å; L135-V139 VanDerWaalsContact O-CG2 3.29Å; L135-V139 WeakPolarHBondContact O-CG2 3.46Å; L135-V139 PolarHBondContact O-N 3.35Å; L135-V139 VanDerWaalsContact O-N 3.15Å; V139-I141 WeakPolarHBondContact CG1-O 3.46Å; V139-V142 HydrophobicContact CG1-CG2 4.02Å; V139-M176 HydrophobicContact CB-CE 4.11Å; V139-M176 HydrophobicContact CB-SD 3.75Å; V139-M176 HydrophobicContact CG1-CE 4.09Å; V139-M176 HydrophobicContact CG1-SD 3.62Å; V139-M176 HydrophobicContact CG2-CE 4.35Å; V139-H178 CarbonylContact O-C 3.56Å; V139-L179 PolarHBondContact O-N 3.46Å
140N98.7Very high94.1Very high20 Ų2037.5 Ų37.511%0.10720%0.204CC..  trans-101.9-30.7176.6-58.1101.8000112.8K45 S46 C138 H178 E180K45-N140 WeakPolarHBondContact CA-OD1 3.35Å; K45-N140 HydrophobicContact CB-CB 4.17Å; K45-N140 HydrophobicContact CD-CB 3.81Å; K45-N140 HydrophobicContact CG-CB 4.45Å; S46-N140 PolarHBondContact N-OD1 3.46Å; S46-N140 PolarHBondContact O-N 3.04Å; C138-N140 PolarHBondContact O-OD1 3.17Å; N140-H178 WeakPolarHBondContact CA-O 3.4Å; N140-H178 PolarHBondContact ND2-O 3.15Å; N140-E180 PolarHBondContact O-N 2.96Å
141I98.6Very high93.3Very high0 Ų037 Ų370%019%0.191CC..EExtended strand (participates in β ladder)trans-141.6137.9-174.4-59161.5000109.5Y41 Y42 S46 V47 L48 V139 F143 A181Y41-I141 HydrophobicContact CD1-CD1 4.47Å; Y41-I141 HydrophobicContact CE1-CD1 3.35Å; Y41-I141 HydrophobicContact CE1-CG1 4.35Å; Y41-I141 WeakPolarHBondContact OH-CD1 3.48Å; Y41-I141 VanDerWaalsContact OH-CG1 3.29Å; Y41-I141 WeakPolarHBondContact OH-CG1 3.22Å; Y42-I141 HydrophobicContact CD1-CD1 3.72Å; Y42-I141 HydrophobicContact CE1-CD1 3.19Å; S46-I141 PolarHBondContact O-N 3.26Å; V47-I141 CarbonylContact C-O 3.59Å; V47-I141 WeakPolarHBondContact CA-O 3.22Å; L48-I141 PolarHBondContact N-O 2.96Å; V139-I141 WeakPolarHBondContact CG1-O 3.46Å; I141-F143 HydrophobicContact CG2-CD2 4.16Å; I141-F143 HydrophobicContact CG2-CE1 4.32Å; I141-F143 HydrophobicContact CG2-CE2 3.74Å; I141-F143 HydrophobicContact CG2-CZ 3.84Å; I141-A181 WeakPolarHBondContact CA-O 3.39Å
142V98.9Very high92.5Very high0 Ų038.5 Ų38.50%020%0.199CC..EExtended strand (participates in β ladder)trans-114125.9172.7-178.30000110L48 V139 L169 M176 L179 A181 F182 I183L48-V142 HydrophobicContact CB-CG2 4.19Å; L48-V142 HydrophobicContact CD2-CG1 4.36Å; L48-V142 HydrophobicContact CD2-CG2 4.22Å; L48-V142 CarbonylContact O-C 3.6Å; L48-V142 WeakPolarHBondContact O-CA 3.41Å; V139-V142 HydrophobicContact CG1-CG2 4.02Å; V142-L169 HydrophobicContact CG1-CD2 4.13Å; V142-M176 HydrophobicContact CG2-CE 4.05Å; V142-M176 HydrophobicContact CG2-SD 3.78Å; V142-L179 HydrophobicContact CG2-CD1 3.79Å; V142-A181 PolarHBondContact N-O 2.88Å; V142-F182 HydrophobicContact CB-CD2 3.63Å; V142-F182 HydrophobicContact CB-CE2 4.04Å; V142-F182 HydrophobicContact CB-CG 4.35Å; V142-F182 HydrophobicContact CG1-CD2 3.76Å; V142-F182 HydrophobicContact CG1-CE2 3.6Å; V142-F182 HydrophobicContact CG1-CZ 4.39Å; V142-F182 HydrophobicContact CG2-CD2 4.15Å; V142-I183 PolarHBondContact O-N 3.12Å
143F98.8Very high92Very high0 Ų037.9 Ų37.90%019%0.194CC..EExtended strand (participates in β ladder)trans-106.8104.4166.1-66.4-69.1000109.9Y42 V47 L48 I49 T50 L60 L64 I141 C145 I183 T319 L320Y42-F143 HydrophobicContact CE1-CE2 4.22Å; Y42-F143 HydrophobicContact CE1-CZ 4.27Å; Y42-F143 WeakPolarHBondContact OH-CZ 3.32Å; V47-F143 HydrophobicContact CG1-CD2 3.39Å; V47-F143 HydrophobicContact CG1-CE2 3.6Å; L48-F143 PolarHBondContact O-N 3.42Å; I49-F143 WeakPolarHBondContact CA-O 3.48Å; I49-F143 HydrophobicContact CG1-CB 4.41Å; I49-F143 HydrophobicContact CG1-CD2 4.33Å; T50-F143 PolarHBondContact N-O 3Å; L60-F143 HydrophobicContact CD2-CB 3.73Å; L60-F143 HydrophobicContact CD2-CD1 4.48Å; L60-F143 HydrophobicContact CD2-CD2 4.02Å; L60-F143 HydrophobicContact CD2-CG 3.85Å; L64-F143 HydrophobicContact CD1-CE2 4.39Å; I141-F143 HydrophobicContact CG2-CD2 4.16Å; I141-F143 HydrophobicContact CG2-CE1 4.32Å; I141-F143 HydrophobicContact CG2-CE2 3.74Å; I141-F143 HydrophobicContact CG2-CZ 3.84Å; F143-C145 PolarHBondContact O-N 2.91Å; F143-I183 HydrophobicContact CD1-CB 3.66Å; F143-I183 HydrophobicContact CD1-CG1 4.06Å; F143-I183 HydrophobicContact CD1-CG2 4.05Å; F143-I183 HydrophobicContact CE1-CB 3.91Å; F143-I183 HydrophobicContact CE1-CG1 3.79Å; F143-I183 HydrophobicContact CE1-CG2 4.27Å; F143-T319 HydrophobicContact CD1-CG2 3.52Å; F143-T319 HydrophobicContact CE1-CG2 3.58Å; F143-T319 WeakPolarHBondContact CE1-O 3Å; F143-T319 HydrophobicContact CG-CG2 4.5Å; F143-L320 HydrophobicContact CE2-CD2 4.04Å; F143-L320 HydrophobicContact CZ-CD2 3.79Å
144H98.4Very high91.7Very high1 Ų135 Ų351%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-89.690.9178.3-171.251.6000111.1T50 T166 L169 F182 I183 H184 I185T50-H144 WeakPolarHBondContact CG2-ND1 3.35Å; T50-H144 WeakPolarHBondContact OG1-CA 3.31Å; T50-H144 PolarHBondContact OG1-ND1 3.22Å; H144-T166 PolarHBondContact NE2-OG1 2.9Å; H144-L169 HydrophobicContact CB-CD2 3.88Å; H144-L169 WeakPolarHBondContact ND1-CD2 3.27Å; H144-F182 HydrophobicContact CB-CE1 4.19Å; H144-F182 HydrophobicContact CB-CZ 3.89Å; H144-I183 PolarHBondContact N-O 2.86Å; H144-H184 AromaticContact CD2-CE1 3.73Å; H144-H184 AromaticContact CD2-ND1 3.4Å; H144-H184 PolarHBondContact CD2-ND1 3.21Å; H144-I185 PolarHBondContact O-N 2.94Å
145C95.5Very high91.5Very high21 Ų2129.5 Ų29.514%0.14217%0.167CC..  trans-101.9-10.7-180-50.10000114T50 F143 A147 I185T50-C145 VanDerWaalsContact O-CB 3.29Å; T50-C145 WeakPolarHBondContact O-CB 3.35Å; T50-C145 PolarHBondContact O-N 3.02Å; T50-C145 PolarHBondContact OG1-N 2.9Å; F143-C145 PolarHBondContact O-N 2.91Å; C145-A147 PolarHBondContact O-N 2.81Å; C145-I185 HydrophobicContact CB-CG1 4.14Å; C145-I185 VanDerWaalsContact SG-CG1 3.59Å
146A89.8Confident91.2Very high12 Ų1232.1 Ų32.110%0.09918%0.178CC..  trans-68.9131.2-178.600000112.1T50 L120T50-A146 VanDerWaalsContact OG1-CB 3.29Å; T50-A146 WeakPolarHBondContact OG1-CB 3.49Å; T50-A146 PolarHBondContact OG1-N 3.29Å; L120-A146 HydrophobicContact CD1-CB 3.31Å
147A83.4Confident90.9Very high30 Ų3035.3 Ų35.325%0.24819%0.192CC..  trans-160.6160.3173.600000110.5C145 N162C145-A147 PolarHBondContact O-N 2.81Å; A147-N162 WeakPolarHBondContact CA-OD1 3.29Å; A147-N162 WeakPolarHBondContact CB-OD1 3.47Å
148T78.3Confident90.7Very high11 Ų1133.6 Ų33.67%0.06717%0.174CC..  trans-79129.2157178.20000108R150 E153 A158 L161 N162 Y238T148-R150 PolarHBondContact OG1-N 2.99Å; T148-E153 HydrophobicContact CG2-CG 4.38Å; T148-A158 HydrophobicContact CG2-CB 4.32Å; T148-L161 HydrophobicContact CG2-CD2 4.29Å; T148-L161 VanDerWaalsContact N-CD2 3.29Å; T148-N162 PolarHBondContact N-OD1 3.48Å; T148-Y238 WeakPolarHBondContact O-CD2 3.45Å; T148-Y238 WeakPolarHBondContact O-CE2 3.31Å
149I76.2Confident90.5Very high98 Ų9832.6 Ų32.650%0.50317%0.167SC..  trans-105.814.3174.959.3169.1000111.5Y238I149-Y238 HydrophobicContact CG2-CE2 4.39Å
150R79.3Confident90.3Very high129 Ų12935.2 Ų35.249%0.48718%0.18SC..  trans-87121.1179.9-68.3-174.659.2-150.6-2109.9T148 D152 E153T148-R150 PolarHBondContact OG1-N 2.99Å; R150-D152 IonicContact CZ-OD1 2.87Å; R150-D152 IonicContact NE-OD1 3.28Å; R150-D152 PolarHBondContact NE-OD1 2.78Å; R150-D152 IonicContact NH2-OD1 3.41Å; R150-D152 PolarHBondContact NH2-OD1 2.82Å; R150-D152 IonicContact NH2-OD2 3.66Å; R150-D152 PolarHBondContact O-N 2.85Å; R150-E153 HydrophobicContact CB-CB 4.24Å; R150-E153 WeakPolarHBondContact CD-OE2 3.34Å; R150-E153 IonicContact CZ-OE2 2.9Å; R150-E153 IonicContact NE-OE2 2.74Å; R150-E153 IonicContact NH1-OE1 3.4Å; R150-E153 IonicContact NH1-OE2 3.58Å; R150-E153 PolarHBondContact NH1-OE2 2.87Å
151F80.9Confident90Very high51 Ų5135.3 Ų35.322%0.22418%0.18CC..THydrogen-bonded Turntrans-77.6-6.6-179.2-61.2-13.4000113.8N236 Y238 L424 L425 F428F151-N236 HydrophobicContact CB-CB 4.33Å; F151-N236 WeakPolarHBondContact O-CB 3.33Å; F151-Y238 AromaticContact CD1-CD1 3.89Å; F151-Y238 HydrophobicContact CD1-CD1 3.89Å; F151-Y238 AromaticContact CD1-CG 3.98Å; F151-Y238 HydrophobicContact CD1-CG 3.98Å; F151-Y238 AromaticContact CE1-CD1 3.46Å; F151-Y238 HydrophobicContact CE1-CD1 3.46Å; F151-Y238 VanDerWaalsContact CE1-CD1 3.46Å; F151-Y238 AromaticContact CE1-CE1 3.88Å; F151-Y238 HydrophobicContact CE1-CE1 3.88Å; F151-Y238 AromaticContact CE1-CG 3.94Å; F151-Y238 HydrophobicContact CE1-CG 3.94Å; F151-Y238 HydrophobicContact CZ-CD1 4.46Å; F151-L424 HydrophobicContact CB-CB 4.36Å; F151-L424 HydrophobicContact CB-CD2 4.24Å; F151-L424 HydrophobicContact CD2-CB 4.34Å; F151-L425 HydrophobicContact CD2-CD2 4.38Å; F151-L425 HydrophobicContact CE2-CD2 3.9Å; F151-F428 HydrophobicContact CD2-CE2 4.06Å; F151-F428 HydrophobicContact CE2-CD2 4.03Å; F151-F428 AromaticContact CE2-CE2 3.64Å; F151-F428 HydrophobicContact CE2-CE2 3.64Å; F151-F428 HydrophobicContact CZ-CE2 4.11Å
152D80.4Confident89.8Confident60 Ų6035.3 Ų35.332%0.32118%0.18SC..THydrogen-bonded Turntrans-112.118.9178.974.8-25.6000113.6R150 K420 L424R150-D152 IonicContact CZ-OD1 2.87Å; R150-D152 IonicContact NE-OD1 3.28Å; R150-D152 PolarHBondContact NE-OD1 2.78Å; R150-D152 IonicContact NH2-OD1 3.41Å; R150-D152 PolarHBondContact NH2-OD1 2.82Å; R150-D152 IonicContact NH2-OD2 3.66Å; R150-D152 PolarHBondContact O-N 2.85Å; D152-K420 WeakPolarHBondContact OD2-CE 3.37Å; D152-K420 IonicContact OD2-NZ 3.86Å; D152-K420 PolarHBondContact OD2-NZ 2.98Å; D152-L424 HydrophobicContact CB-CD1 4.27Å; D152-L424 HydrophobicContact CB-CD2 4.38Å
153E87.8Confident89.6Confident25 Ų2535.3 Ų35.312%0.11718%0.18CC..  trans-78.8135-177.2-158.866.4-121.200111.6T148 R150 H157 T237T148-E153 HydrophobicContact CG2-CG 4.38Å; R150-E153 HydrophobicContact CB-CB 4.24Å; R150-E153 WeakPolarHBondContact CD-OE2 3.34Å; R150-E153 IonicContact CZ-OE2 2.9Å; R150-E153 IonicContact NE-OE2 2.74Å; R150-E153 IonicContact NH1-OE1 3.4Å; R150-E153 IonicContact NH1-OE2 3.58Å; R150-E153 PolarHBondContact NH1-OE2 2.87Å; E153-H157 VanDerWaalsContact CD-CD2 3.4Å; E153-H157 HydrophobicContact CG-CB 4.11Å; E153-H157 VanDerWaalsContact CG-CD2 3.5Å; E153-H157 WeakPolarHBondContact CG-CD2 3.14Å; E153-H157 IonicContact OE1-CD2 3.77Å; E153-H157 PolarHBondContact OE1-CD2 2.89Å; E153-H157 VanDerWaalsContact OE1-CD2 3.28Å; E153-H157 IonicContact OE1-CG 3.81Å; E153-T237 PolarHBondContact O-OG1 2.86Å
154P92.6Very high89.5Confident83 Ų8336.6 Ų36.654%0.53919%0.187SC..  trans-57.1144.3175.1-24.835.2000112.3K156 H157 A158P154-K156 VanDerWaalsContact C-N 3.33Å; P154-K156 PolarHBondContact O-N 3.03Å; P154-H157 PolarHBondContact O-N 3.14Å; P154-H157 VanDerWaalsContact O-N 3.07Å; P154-A158 PolarHBondContact O-N 2.85Å
155L92.6Very high89.4Confident3 Ų336.6 Ų36.62%0.01619%0.186CC..Hα-helixtrans-55.8-44.2-173.7177.861.4000112.9H157 A158 L159 V223 T227 L230 T237 Y240 T241L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 3.46Å; L155-A158 PolarHBondContact O-N 3.23Å; L155-L159 HydrophobicContact CD1-CD1 3.98Å; L155-L159 HydrophobicContact CD1-CG 3.92Å; L155-L159 HydrophobicContact CD2-CD1 4.44Å; L155-L159 HydrophobicContact CG-CD1 3.82Å; L155-L159 HydrophobicContact CG-CG 4.24Å; L155-L159 WeakPolarHBondContact O-CB 3.38Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 2.98Å; L155-V223 HydrophobicContact CB-CG1 4Å; L155-V223 HydrophobicContact CD2-CG1 4.23Å; L155-V223 HydrophobicContact CG-CG1 4.46Å; L155-T227 HydrophobicContact CB-CG2 4.11Å; L155-T227 WeakPolarHBondContact CB-OG1 3.43Å; L155-T227 HydrophobicContact CD2-CG2 4.34Å; L155-L230 HydrophobicContact CD2-CB 4.43Å; L155-L230 HydrophobicContact CD2-CD1 3.53Å; L155-T237 HydrophobicContact CB-CG2 4.02Å; L155-T237 HydrophobicContact CD1-CG2 4.21Å; L155-Y240 HydrophobicContact CD1-CD1 3.95Å; L155-Y240 HydrophobicContact CD1-CE1 4.17Å; L155-T241 HydrophobicContact CD1-CG2 4.11Å
156K92.8Very high89.5Confident55 Ų5535.6 Ų35.624%0.23918%0.18CC..Hα-helixtrans-53.3-48.9175.7-91.9176170.5-165.90112.7P154 L159 Q160 V215 M218 D220 V223P154-K156 VanDerWaalsContact C-N 3.33Å; P154-K156 PolarHBondContact O-N 3.03Å; K156-L159 PolarHBondContact O-N 3.18Å; K156-Q160 WeakPolarHBondContact O-CB 3.46Å; K156-Q160 PolarHBondContact O-N 2.85Å; K156-V215 HydrophobicContact CB-CG1 4.44Å; K156-V215 HydrophobicContact CD-CG1 4.35Å; K156-V215 WeakPolarHBondContact CE-O 3.38Å; K156-V215 HydrophobicContact CG-CG1 3.33Å; K156-M218 WeakPolarHBondContact CE-O 3.42Å; K156-M218 PolarHBondContact NZ-O 3.26Å; K156-D220 WeakPolarHBondContact CD-OD1 3.44Å; K156-D220 WeakPolarHBondContact CE-OD1 3.26Å; K156-D220 IonicContact NZ-OD1 2.77Å; K156-D220 PolarHBondContact NZ-OD1 3.11Å; K156-V223 HydrophobicContact CD-CG2 4.18Å; K156-V223 HydrophobicContact CG-CG1 4.22Å; K156-V223 HydrophobicContact CG-CG2 4.27Å
157H91.7Very high89.8Confident81 Ų8138.3 Ų38.338%0.37519%0.19SC..Hα-helixtrans-69.3-40.3-179-17072000111.6E153 P154 L155 Q160 L161E153-H157 VanDerWaalsContact CD-CD2 3.4Å; E153-H157 HydrophobicContact CG-CB 4.11Å; E153-H157 VanDerWaalsContact CG-CD2 3.5Å; E153-H157 WeakPolarHBondContact CG-CD2 3.14Å; E153-H157 IonicContact OE1-CD2 3.77Å; E153-H157 PolarHBondContact OE1-CD2 2.89Å; E153-H157 VanDerWaalsContact OE1-CD2 3.28Å; E153-H157 IonicContact OE1-CG 3.81Å; P154-H157 PolarHBondContact O-N 3.14Å; P154-H157 VanDerWaalsContact O-N 3.07Å; L155-H157 VanDerWaalsContact C-N 3.34Å; L155-H157 PolarHBondContact O-N 3.46Å; H157-Q160 PolarHBondContact O-N 2.96Å; H157-L161 PolarHBondContact O-N 2.92Å; H157-L161 VanDerWaalsContact O-N 3.1Å
158A93Very high90.5Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-62.6-42.1175.100000112.1T148 P154 L155 N162 T241T148-A158 HydrophobicContact CG2-CB 4.32Å; P154-A158 PolarHBondContact O-N 2.85Å; L155-A158 PolarHBondContact O-N 3.23Å; A158-N162 VanDerWaalsContact O-CB 3.28Å; A158-N162 WeakPolarHBondContact O-CB 3.38Å; A158-N162 PolarHBondContact O-N 3.21Å; A158-T241 HydrophobicContact CB-CG2 3.81Å
159L94.2Very high91.4Very high4 Ų438.3 Ų38.32%0.02118%0.184CC..Hα-helixtrans-62.8-46.1174.4-77.8170000111.5L155 K156 L161 V163 I164 L211 V215 T241 L244L155-L159 HydrophobicContact CD1-CD1 3.98Å; L155-L159 HydrophobicContact CD1-CG 3.92Å; L155-L159 HydrophobicContact CD2-CD1 4.44Å; L155-L159 HydrophobicContact CG-CD1 3.82Å; L155-L159 HydrophobicContact CG-CG 4.24Å; L155-L159 WeakPolarHBondContact O-CB 3.38Å; L155-L159 WeakPolarHBondContact O-CG 3.23Å; L155-L159 PolarHBondContact O-N 2.98Å; K156-L159 PolarHBondContact O-N 3.18Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 3.41Å; L159-V163 HydrophobicContact CD2-CB 4.38Å; L159-V163 HydrophobicContact CD2-CG2 3.89Å; L159-V163 WeakPolarHBondContact O-CA 3.3Å; L159-V163 WeakPolarHBondContact O-CB 3.47Å; L159-V163 PolarHBondContact O-N 3.44Å; L159-I164 PolarHBondContact O-N 3.33Å; L159-L211 HydrophobicContact CD1-CD2 4.22Å; L159-L211 HydrophobicContact CD1-CG 4.28Å; L159-L211 HydrophobicContact CD2-CD2 3.85Å; L159-V215 HydrophobicContact CD1-CB 4.25Å; L159-V215 HydrophobicContact CD1-CG1 4Å; L159-V215 HydrophobicContact CD1-CG2 4.11Å; L159-T241 HydrophobicContact CD2-CG2 3.91Å; L159-T241 HydrophobicContact CG-CG2 4.05Å; L159-L244 HydrophobicContact CD2-CD1 3.76Å
160Q94Very high92.4Very high56 Ų5633.7 Ų33.726%0.26216%0.161SC..Iπ-helixtrans-56.5-47.6179.4-16964.32300111.7T121 K156 H157 A165T121-Q160 HydrophobicContact CG2-CG 3.93Å; T121-Q160 PolarHBondContact O-NE2 3.04Å; K156-Q160 WeakPolarHBondContact O-CB 3.46Å; K156-Q160 PolarHBondContact O-N 2.85Å; H157-Q160 PolarHBondContact O-N 2.96Å; Q160-A165 PolarHBondContact O-N 3Å
161L92.3Very high93.3Very high21 Ų2130.1 Ų30.111%0.1116%0.155CC..Iπ-helixtrans-84.6-36.8-173.6-173.561.7000113.9L120 T121 T148 H157 L159 A165L120-L161 HydrophobicContact CB-CD1 4.01Å; L120-L161 HydrophobicContact CD1-CD1 4.33Å; T121-L161 HydrophobicContact CG2-CB 4.25Å; T121-L161 HydrophobicContact CG2-CD1 3.98Å; T148-L161 HydrophobicContact CG2-CD2 4.29Å; T148-L161 VanDerWaalsContact N-CD2 3.29Å; H157-L161 PolarHBondContact O-N 2.92Å; H157-L161 VanDerWaalsContact O-N 3.1Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 PolarHBondContact O-N 3.41Å; L161-A165 WeakPolarHBondContact O-CB 3.49Å
162N94.9Very high94.2Very high0 Ų028.4 Ų28.40%015%0.149CC..Iπ-helixtrans-93.8-28-174.2-65.6-15.6000112.8A147 T148 A158 T166 T241 A245A147-N162 WeakPolarHBondContact CA-OD1 3.29Å; A147-N162 WeakPolarHBondContact CB-OD1 3.47Å; T148-N162 PolarHBondContact N-OD1 3.48Å; A158-N162 VanDerWaalsContact O-CB 3.28Å; A158-N162 WeakPolarHBondContact O-CB 3.38Å; A158-N162 PolarHBondContact O-N 3.21Å; N162-T166 PolarHBondContact O-OG1 3.01Å; N162-T241 PolarHBondContact ND2-OG1 3.36Å; N162-A245 WeakPolarHBondContact O-CB 3.29Å
163V95.4Very high95Very high0 Ų025.6 Ų25.60%013%0.134CC..Iπ-helixtrans-109.6-58.6-174.4-171.40000110.9L159 T166 Q167 P208 I212 T241 L244 V248L159-V163 HydrophobicContact CD2-CB 4.38Å; L159-V163 HydrophobicContact CD2-CG2 3.89Å; L159-V163 WeakPolarHBondContact O-CA 3.3Å; L159-V163 WeakPolarHBondContact O-CB 3.47Å; L159-V163 PolarHBondContact O-N 3.44Å; V163-T166 WeakPolarHBondContact O-CB 3.35Å; V163-T166 PolarHBondContact O-N 2.85Å; V163-Q167 PolarHBondContact O-N 3.47Å; V163-P208 HydrophobicContact CG1-CB 4.41Å; V163-I212 HydrophobicContact CG1-CD1 4.08Å; V163-T241 WeakPolarHBondContact CG2-O 3.49Å; V163-L244 HydrophobicContact CG1-CB 4.43Å; V163-L244 HydrophobicContact CG2-CB 3.77Å; V163-L244 HydrophobicContact CG2-CD1 4.47Å; V163-V248 HydrophobicContact CG1-CG2 3.72Å
164I96.1Very high95.5Very high28 Ų2827.9 Ų27.914%0.14414%0.144CC..Iπ-helixtrans-67-44.4-175-65.5166.1000110.9L159 T166 Q167 Q168 I212L159-I164 PolarHBondContact O-N 3.33Å; I164-T166 VanDerWaalsContact C-N 3.29Å; I164-T166 PolarHBondContact O-N 2.69Å; I164-Q167 WeakPolarHBondContact O-CB 3.4Å; I164-Q167 PolarHBondContact O-N 3.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.48Å; I164-Q168 PolarHBondContact O-N 2.81Å; I164-I212 HydrophobicContact CD1-CG1 4.12Å; I164-I212 HydrophobicContact CD1-CG2 3.76Å; I164-I212 HydrophobicContact CG1-CD1 3.77Å; I164-I212 HydrophobicContact CG1-CG1 3.89Å; I164-I212 HydrophobicContact CG1-CG2 4.07Å
165A96.1Very high95.7Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-61.8-37.517500000112.7L120 Q160 L161 Q168 L169L120-A165 HydrophobicContact CB-CB 3.96Å; L120-A165 VanDerWaalsContact O-CB 3.25Å; L120-A165 WeakPolarHBondContact O-CB 3.43Å; Q160-A165 PolarHBondContact O-N 3Å; L161-A165 WeakPolarHBondContact O-CB 3.49Å; A165-Q168 PolarHBondContact O-N 3.03Å; A165-L169 WeakPolarHBondContact O-CB 3.37Å; A165-L169 PolarHBondContact O-N 3.02Å
166T97.2Very high96Very high1 Ų129.6 Ų29.61%0.00615%0.145CC..Hα-helixtrans-62.4-45174.3-580000110.4H144 N162 V163 I164 L169 L170 V249H144-T166 PolarHBondContact NE2-OG1 2.9Å; N162-T166 PolarHBondContact O-OG1 3.01Å; V163-T166 WeakPolarHBondContact O-CB 3.35Å; V163-T166 PolarHBondContact O-N 2.85Å; I164-T166 VanDerWaalsContact C-N 3.29Å; I164-T166 PolarHBondContact O-N 2.69Å; T166-L169 PolarHBondContact O-N 2.97Å; T166-L170 HydrophobicContact CG2-CD1 4.05Å; T166-L170 WeakPolarHBondContact O-CG 3.32Å; T166-L170 PolarHBondContact O-N 2.83Å; T166-V249 HydrophobicContact CG2-CG2 3.81Å
167Q96.8Very high96.3Very high69 Ų6933.8 Ų33.832%0.32217%0.165SC..Hα-helixtrans-60.1-46.8176.2-165.6177.97.800111.9V163 I164 L169 L170 S171 V248V163-Q167 PolarHBondContact O-N 3.47Å; I164-Q167 WeakPolarHBondContact O-CB 3.4Å; I164-Q167 PolarHBondContact O-N 3.28Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.42Å; Q167-L170 PolarHBondContact O-N 2.81Å; Q167-S171 PolarHBondContact O-N 3.3Å; Q167-S171 PolarHBondContact O-OG 3.14Å; Q167-V248 HydrophobicContact CB-CG1 3.76Å; Q167-V248 HydrophobicContact CG-CG1 4Å
168Q97.3Very high96.6Very high39 Ų3934.8 Ų34.818%0.18217%0.17CC..Hα-helixtrans-62.5-38.2177.4-70.4-175.639.600112.4Q122 L125 I164 A165 S171 L172Q122-Q168 PolarHBondContact O-OE1 3.18Å; L125-Q168 HydrophobicContact CD2-CB 3.65Å; L125-Q168 HydrophobicContact CG-CB 4.09Å; L125-Q168 VanDerWaalsContact N-OE1 3.12Å; I164-Q168 WeakPolarHBondContact O-CG 3.48Å; I164-Q168 PolarHBondContact O-N 2.81Å; A165-Q168 PolarHBondContact O-N 3.03Å; Q168-S171 PolarHBondContact O-N 2.94Å; Q168-L172 PolarHBondContact O-N 2.84Å
169L98Very high96.8Very high1 Ų136.1 Ų36.11%0.00518%0.177CC..Hα-helixtrans-69.5-37.5176.8-172.767.9000112.3L48 T50 L125 V142 H144 A165 T166 Q167 S171 L172 A173 F182L48-L169 HydrophobicContact CD2-CD1 4.24Å; T50-L169 HydrophobicContact CG2-CD1 4.4Å; T50-L169 HydrophobicContact CG2-CD2 3.59Å; L125-L169 HydrophobicContact CD1-CB 4.2Å; L125-L169 HydrophobicContact CD1-CD1 3.75Å; V142-L169 HydrophobicContact CG1-CD2 4.13Å; H144-L169 HydrophobicContact CB-CD2 3.88Å; H144-L169 WeakPolarHBondContact ND1-CD2 3.27Å; A165-L169 WeakPolarHBondContact O-CB 3.37Å; A165-L169 PolarHBondContact O-N 3.02Å; T166-L169 PolarHBondContact O-N 2.97Å; Q167-L169 VanDerWaalsContact C-N 3.31Å; Q167-L169 PolarHBondContact O-N 3.42Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-L172 HydrophobicContact CD1-CD2 4.36Å; L169-L172 PolarHBondContact O-N 2.75Å; L169-A173 VanDerWaalsContact O-CB 3.3Å; L169-A173 WeakPolarHBondContact O-CB 3.46Å; L169-A173 PolarHBondContact O-N 3.32Å; L169-F182 HydrophobicContact CD2-CE2 4.02Å; L169-F182 HydrophobicContact CD2-CZ 4.03Å; L169-F182 HydrophobicContact CG-CE2 4.02Å; L169-F182 HydrophobicContact CG-CZ 4.35Å
170L98.2Very high97Very high1 Ų137.8 Ų37.81%0.00519%0.185CC..Hα-helixtrans-63.4-39.8172.3-71.7161.2000111.3T166 Q167 L172 A173 Q174 F182 V248 V249 E252 L256T166-L170 HydrophobicContact CG2-CD1 4.05Å; T166-L170 WeakPolarHBondContact O-CG 3.32Å; T166-L170 PolarHBondContact O-N 2.83Å; Q167-L170 PolarHBondContact O-N 2.81Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 2.83Å; L170-A173 WeakPolarHBondContact O-CB 3.47Å; L170-A173 PolarHBondContact O-N 3.45Å; L170-Q174 WeakPolarHBondContact O-CG 3.38Å; L170-Q174 PolarHBondContact O-N 2.91Å; L170-F182 HydrophobicContact CD2-CD1 3.91Å; L170-F182 HydrophobicContact CD2-CD2 4.17Å; L170-F182 HydrophobicContact CD2-CE1 3.71Å; L170-F182 HydrophobicContact CD2-CE2 3.97Å; L170-F182 HydrophobicContact CD2-CG 4.15Å; L170-F182 HydrophobicContact CD2-CZ 3.74Å; L170-F182 HydrophobicContact CG-CE1 4.38Å; L170-F182 HydrophobicContact CG-CE2 4.43Å; L170-F182 HydrophobicContact CG-CZ 4.08Å; L170-V248 HydrophobicContact CD1-CG1 3.86Å; L170-V249 HydrophobicContact CD1-CG2 4.1Å; L170-E252 HydrophobicContact CB-CG 4.19Å; L170-E252 HydrophobicContact CD1-CG 4.14Å; L170-E252 HydrophobicContact CD2-CB 4.39Å; L170-L256 HydrophobicContact CD2-CD1 3.86Å
171S97.8Very high97.2Very high54 Ų5435.1 Ų35.138%0.37817%0.172SC..Hα-helixtrans-62.6-38.8173.9-61.30000112.5Q167 Q168 L169Q167-S171 PolarHBondContact O-N 3.3Å; Q167-S171 PolarHBondContact O-OG 3.14Å; Q168-S171 PolarHBondContact O-N 2.94Å; L169-S171 VanDerWaalsContact C-N 3.33Å
172L98.3Very high97.5Very high15 Ų1534.1 Ų34.18%0.07917%0.167CC..Hα-helixtrans-67.2-41.1172.317863000111.3L125 I127 V132 L135 T136 Q168 L169 L170 Q174 Q175 M176L125-L172 HydrophobicContact CD1-CD2 4.16Å; I127-L172 HydrophobicContact CD1-CD2 4.02Å; V132-L172 HydrophobicContact CG1-CD1 3.93Å; L135-L172 HydrophobicContact CD1-CD2 4.35Å; T136-L172 HydrophobicContact CG2-CD1 3.9Å; Q168-L172 PolarHBondContact O-N 2.84Å; L169-L172 HydrophobicContact CD1-CD2 4.36Å; L169-L172 PolarHBondContact O-N 2.75Å; L170-L172 VanDerWaalsContact C-N 3.34Å; L170-L172 PolarHBondContact O-N 2.83Å; L172-Q174 VanDerWaalsContact C-N 3.32Å; L172-Q174 PolarHBondContact O-N 2.99Å; L172-Q175 WeakPolarHBondContact O-CB 3.36Å; L172-Q175 PolarHBondContact O-N 3.36Å; L172-M176 HydrophobicContact CD2-CE 4.48Å; L172-M176 HydrophobicContact CG-CE 4.22Å
173A98.3Very high97.7Very high1 Ų134.1 Ų34.11%0.00817%0.167CC..Hα-helixtrans-62.5-37.4179.700000112.3L169 L170 Q175 M176 L179 F182 L256L169-A173 VanDerWaalsContact O-CB 3.3Å; L169-A173 WeakPolarHBondContact O-CB 3.46Å; L169-A173 PolarHBondContact O-N 3.32Å; L170-A173 WeakPolarHBondContact O-CB 3.47Å; L170-A173 PolarHBondContact O-N 3.45Å; A173-Q175 PolarHBondContact O-N 3.45Å; A173-M176 HydrophobicContact CB-SD 4.44Å; A173-M176 VanDerWaalsContact O-CB 3.32Å; A173-M176 WeakPolarHBondContact O-CB 3.19Å; A173-M176 PolarHBondContact O-N 3.42Å; A173-L179 HydrophobicContact CB-CD2 3.67Å; A173-L179 VanDerWaalsContact O-CD2 3.27Å; A173-L179 WeakPolarHBondContact O-CD2 3.44Å; A173-F182 HydrophobicContact CB-CD2 3.86Å; A173-F182 HydrophobicContact CB-CE2 4.16Å; A173-L256 HydrophobicContact CB-CD1 4.04Å
174Q98Very high97.9Very high73 Ų7334.1 Ų34.134%0.34117%0.167SC..THydrogen-bonded Turntrans-60.8-23.5173.3-76173.255.700113.8L170 L172 M176 E252 K255 L256L170-Q174 WeakPolarHBondContact O-CG 3.38Å; L170-Q174 PolarHBondContact O-N 2.91Å; L172-Q174 VanDerWaalsContact C-N 3.32Å; L172-Q174 PolarHBondContact O-N 2.99Å; Q174-M176 VanDerWaalsContact C-N 3.35Å; Q174-E252 PolarHBondContact NE2-OE2 3.27Å; Q174-K255 HydrophobicContact CG-CD 4.49Å; Q174-K255 VanDerWaalsContact OE1-CD 3.25Å; Q174-L256 HydrophobicContact CG-CD1 4.05Å; Q174-L256 HydrophobicContact CG-CD2 4.08Å; Q174-L256 HydrophobicContact CG-CG 4.04Å
175Q97.9Very high98Very high110 Ų11033.2 Ų33.251%0.51416%0.162SC..THydrogen-bonded Turntrans-87.5-7178-59.6172.220.800112.3T136 L172 A173 H177T136-Q175 WeakPolarHBondContact CB-O 3.37Å; T136-Q175 HydrophobicContact CG2-CB 3.71Å; L172-Q175 WeakPolarHBondContact O-CB 3.36Å; L172-Q175 PolarHBondContact O-N 3.36Å; A173-Q175 PolarHBondContact O-N 3.45Å; Q175-H177 PolarHBondContact O-N 2.77Å
176M98.5Very high98.1Very high12 Ų1233.3 Ų33.36%0.05916%0.163CC..  trans-78.8117.4-179.1-65.7175.4175.900111.4L48 L135 T136 V139 V142 L172 A173 Q174 H178 L179L48-M176 HydrophobicContact CD2-CE 3.7Å; L135-M176 HydrophobicContact CB-CE 4.35Å; T136-M176 WeakPolarHBondContact O-CA 3Å; V139-M176 HydrophobicContact CB-CE 4.11Å; V139-M176 HydrophobicContact CB-SD 3.75Å; V139-M176 HydrophobicContact CG1-CE 4.09Å; V139-M176 HydrophobicContact CG1-SD 3.62Å; V139-M176 HydrophobicContact CG2-CE 4.35Å; V142-M176 HydrophobicContact CG2-CE 4.05Å; V142-M176 HydrophobicContact CG2-SD 3.78Å; L172-M176 HydrophobicContact CD2-CE 4.48Å; L172-M176 HydrophobicContact CG-CE 4.22Å; A173-M176 HydrophobicContact CB-SD 4.44Å; A173-M176 VanDerWaalsContact O-CB 3.32Å; A173-M176 WeakPolarHBondContact O-CB 3.19Å; A173-M176 PolarHBondContact O-N 3.42Å; Q174-M176 VanDerWaalsContact C-N 3.35Å; M176-H178 VanDerWaalsContact C-N 3.26Å; M176-H178 PolarHBondContact O-N 2.88Å; M176-L179 HydrophobicContact CB-CB 3.74Å; M176-L179 HydrophobicContact CB-CD2 4.44Å; M176-L179 HydrophobicContact SD-CD1 4.07Å; M176-L179 HydrophobicContact SD-CD2 4.3Å
177H97.5Very high98.1Very high143 Ų14333.5 Ų33.566%0.66216%0.164SC*.THydrogen-bonded Turntrans-71.3-19.2-171.7-55-51.1000114.4T136 Q175T136-H177 PolarHBondContact O-CD2 3.21Å; T136-H177 PolarHBondContact O-N 3.38Å; Q175-H177 PolarHBondContact O-N 2.77Å
178H97.9Very high98.1Very high102 Ų10230.2 Ų30.247%0.47215%0.149SC..THydrogen-bonded Turntrans-120.912.8-174.9-57.7-56.3000113.3G137 V139 N140 M176 E180G137-H178 PolarHBondContact O-CD2 3.45Å; G137-H178 VanDerWaalsContact O-CD2 3.25Å; V139-H178 CarbonylContact O-C 3.56Å; N140-H178 WeakPolarHBondContact CA-O 3.4Å; N140-H178 PolarHBondContact ND2-O 3.15Å; M176-H178 VanDerWaalsContact C-N 3.26Å; M176-H178 PolarHBondContact O-N 2.88Å; H178-E180 PolarHBondContact O-N 3.09Å
179L98.6Very high98Very high28 Ų2828.9 Ų28.915%0.14714%0.142CC..  trans-68.5125.4-176.7-175.768000110.9V139 V142 A173 M176 A181 L256V139-L179 PolarHBondContact O-N 3.46Å; V142-L179 HydrophobicContact CG2-CD1 3.79Å; A173-L179 HydrophobicContact CB-CD2 3.67Å; A173-L179 VanDerWaalsContact O-CD2 3.27Å; A173-L179 WeakPolarHBondContact O-CD2 3.44Å; M176-L179 HydrophobicContact CB-CB 3.74Å; M176-L179 HydrophobicContact CB-CD2 4.44Å; M176-L179 HydrophobicContact SD-CD1 4.07Å; M176-L179 HydrophobicContact SD-CD2 4.3Å; L179-A181 WeakPolarHBondContact CD1-O 3.4Å; L179-L256 HydrophobicContact CD2-CD2 3.73Å
180E98.3Very high97.8Very high39 Ų3928.9 Ų28.918%0.18214%0.142CC..  trans-109.7-31.1-178.7-69167-175.100112.1Y41 K45 N140 H178 N257 A327Y41-E180 WeakPolarHBondContact CE2-OE2 3.41Å; Y41-E180 PolarHBondContact OH-OE2 3.1Å; K45-E180 VanDerWaalsContact NZ-CD 3.29Å; K45-E180 IonicContact NZ-OE1 3.45Å; K45-E180 PolarHBondContact NZ-OE1 2.99Å; K45-E180 IonicContact NZ-OE2 2.85Å; K45-E180 PolarHBondContact NZ-OE2 3.39Å; K45-E180 VanDerWaalsContact NZ-OE2 3.12Å; N140-E180 PolarHBondContact O-N 2.96Å; H178-E180 PolarHBondContact O-N 3.09Å; E180-N257 WeakPolarHBondContact O-CB 3.21Å; E180-N257 PolarHBondContact O-ND2 3.28Å; E180-A327 HydrophobicContact CB-CB 3.84Å
181A98.4Very high97.7Very high0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-151.7142.7177.900000113.4I141 V142 L179 N257 T326 A327I141-A181 WeakPolarHBondContact CA-O 3.39Å; V142-A181 PolarHBondContact N-O 2.88Å; L179-A181 WeakPolarHBondContact CD1-O 3.4Å; A181-N257 WeakPolarHBondContact CA-O 3.05Å; A181-T326 HydrophobicContact CB-CG2 3.92Å; A181-A327 HydrophobicContact CB-CB 3.92Å
182F98.8Very high97.5Very high0 Ų026.4 Ų26.40%013%0.125CC..EExtended strand (participates in β ladder)trans-119.9114.1169.6-175.5-77000109.8V142 H144 L169 L170 A173 H184 N257 V258 G259V142-F182 HydrophobicContact CB-CD2 3.63Å; V142-F182 HydrophobicContact CB-CE2 4.04Å; V142-F182 HydrophobicContact CB-CG 4.35Å; V142-F182 HydrophobicContact CG1-CD2 3.76Å; V142-F182 HydrophobicContact CG1-CE2 3.6Å; V142-F182 HydrophobicContact CG1-CZ 4.39Å; V142-F182 HydrophobicContact CG2-CD2 4.15Å; H144-F182 HydrophobicContact CB-CE1 4.19Å; H144-F182 HydrophobicContact CB-CZ 3.89Å; L169-F182 HydrophobicContact CD2-CE2 4.02Å; L169-F182 HydrophobicContact CD2-CZ 4.03Å; L169-F182 HydrophobicContact CG-CE2 4.02Å; L169-F182 HydrophobicContact CG-CZ 4.35Å; L170-F182 HydrophobicContact CD2-CD1 3.91Å; L170-F182 HydrophobicContact CD2-CD2 4.17Å; L170-F182 HydrophobicContact CD2-CE1 3.71Å; L170-F182 HydrophobicContact CD2-CE2 3.97Å; L170-F182 HydrophobicContact CD2-CG 4.15Å; L170-F182 HydrophobicContact CD2-CZ 3.74Å; L170-F182 HydrophobicContact CG-CE1 4.38Å; L170-F182 HydrophobicContact CG-CE2 4.43Å; L170-F182 HydrophobicContact CG-CZ 4.08Å; A173-F182 HydrophobicContact CB-CD2 3.86Å; A173-F182 HydrophobicContact CB-CE2 4.16Å; F182-H184 HydrophobicContact CE1-CB 4.25Å; F182-N257 PolarHBondContact N-O 2.82Å; F182-V258 HydrophobicContact CB-CG1 4.21Å; F182-V258 HydrophobicContact CD1-CG1 4.43Å; F182-V258 VanDerWaalsContact O-CA 3.29Å; F182-V258 WeakPolarHBondContact O-CA 3.28Å; F182-G259 PolarHBondContact O-N 3.44Å
183I98.8Very high97.3Very high0 Ų028.6 Ų28.60%014%0.137CC..EExtended strand (participates in β ladder)trans-107.2119.4-179-55.5-50.3000110.2V142 F143 H144 I185 G259 I261 T319 T326V142-I183 PolarHBondContact O-N 3.12Å; F143-I183 HydrophobicContact CD1-CB 3.66Å; F143-I183 HydrophobicContact CD1-CG1 4.06Å; F143-I183 HydrophobicContact CD1-CG2 4.05Å; F143-I183 HydrophobicContact CE1-CB 3.91Å; F143-I183 HydrophobicContact CE1-CG1 3.79Å; F143-I183 HydrophobicContact CE1-CG2 4.27Å; H144-I183 PolarHBondContact N-O 2.86Å; I183-I185 HydrophobicContact CG2-CD1 4.43Å; I183-G259 CarbonylContact C-O 3.18Å; I183-G259 WeakPolarHBondContact CA-O 3.31Å; I183-I261 HydrophobicContact CG2-CD1 4.47Å; I183-I261 HydrophobicContact CG2-CG1 3.84Å; I183-T319 HydrophobicContact CG2-CG2 4.2Å; I183-T326 HydrophobicContact CD1-CG2 4.24Å
184H98.7Very high97.1Very high0 Ų033.9 Ų33.90%016%0.157CC..EExtended strand (participates in β ladder)trans-98.2127.9177.3-17763.8000111.7H144 F182 V249 G259 I260 I261H144-H184 AromaticContact CD2-CE1 3.73Å; H144-H184 AromaticContact CD2-ND1 3.4Å; H144-H184 PolarHBondContact CD2-ND1 3.21Å; F182-H184 HydrophobicContact CE1-CB 4.25Å; H184-V249 HydrophobicContact CB-CG1 4.49Å; H184-V249 HydrophobicContact CB-CG2 4.01Å; H184-G259 PolarHBondContact N-O 2.66Å; H184-I260 HydrophobicContact CB-CG1 4.38Å; H184-I260 WeakPolarHBondContact O-CA 3.41Å; H184-I261 PolarHBondContact O-N 3.19Å
185I98.4Very high96.9Very high9 Ų937.8 Ų37.85%0.04617%0.168CC..EExtended strand (participates in β ladder)trans-91108.3170.7-51.1-55.9000109.8M56 H144 C145 I183 K242 I261 P263 T319M56-I185 HydrophobicContact CE-CG2 3.96Å; H144-I185 PolarHBondContact O-N 2.94Å; C145-I185 HydrophobicContact CB-CG1 4.14Å; C145-I185 VanDerWaalsContact SG-CG1 3.59Å; I183-I185 HydrophobicContact CG2-CD1 4.43Å; I185-K242 PolarHBondContact O-NZ 3.1Å; I185-I261 HydrophobicContact CD1-CB 3.81Å; I185-I261 HydrophobicContact CD1-CG1 3.92Å; I185-P263 HydrophobicContact CG2-CG 4.09Å; I185-T319 HydrophobicContact CD1-CG2 3.95Å
186S97.9Very high96.8Very high3 Ų337.6 Ų37.62%0.02117%0.167CC..  trans-96.9-141.4172.7-170.10000110.8E246 I261 P263S186-E246 WeakPolarHBondContact CB-OE1 3.4Å; S186-E246 WeakPolarHBondContact OG-CG 3.48Å; S186-E246 PolarHBondContact OG-OE1 2.99Å; S186-I261 PolarHBondContact N-O 2.93Å; S186-P263 WeakPolarHBondContact O-CD 3.43Å
187T97.2Very high96.7Very high4 Ų437 Ų373%0.02516%0.164CC..  trans-150.8148.2170.7176.90000110Y189 A190 Y238 K242 R262 P263T187-Y189 PolarHBondContact O-N 3.35Å; T187-Y189 PolarHBondContact OG1-N 3.08Å; T187-A190 HydrophobicContact CG2-CB 4.14Å; T187-A190 VanDerWaalsContact O-CB 3.22Å; T187-A190 WeakPolarHBondContact O-CB 3.28Å; T187-A190 PolarHBondContact O-N 3.12Å; T187-Y238 HydrophobicContact CG2-CE1 3.69Å; T187-K242 HydrophobicContact CG2-CB 3.96Å; T187-K242 HydrophobicContact CG2-CG 4.04Å; T187-R262 WeakPolarHBondContact O-CG 3.47Å; T187-P263 CarbonylContact C-O 3.22Å; T187-P263 WeakPolarHBondContact CA-O 3.5Å; T187-P263 PolarHBondContact OG1-O 2.74Å
188A96.8Very high96.7Very high0 Ų033.4 Ų33.40%015%0.15CC..G310 helixtrans-54.1-36.1171.200000110.7A190 P263 T340 W435A188-A190 PolarHBondContact O-N 2.85Å; A188-A190 VanDerWaalsContact O-N 3.12Å; A188-P263 PolarHBondContact N-O 2.74Å; A188-T340 HydrophobicContact CB-CG2 3.69Å; A188-W435 HydrophobicContact CB-CD2 4.49Å; A188-W435 HydrophobicContact CB-CE3 4.1Å; A188-W435 HydrophobicContact CB-CH2 3.68Å; A188-W435 HydrophobicContact CB-CZ2 4.07Å; A188-W435 HydrophobicContact CB-CZ3 3.68Å; A188-W435 VanDerWaalsContact O-CH2 3.28Å; A188-W435 WeakPolarHBondContact O-CH2 3.42Å; A188-W435 WeakPolarHBondContact O-CZ3 3.49Å
189Y95.4Very high96.7Very high12 Ų1229.3 Ų29.35%0.04713%0.131CC..G310 helixtrans-76.42.6-179.6-56-69.1000114.9T187 N191 C192 T239 I265 D308 F428 W433 W435T187-Y189 PolarHBondContact O-N 3.35Å; T187-Y189 PolarHBondContact OG1-N 3.08Å; Y189-N191 PolarHBondContact O-N 3.42Å; Y189-N191 VanDerWaalsContact O-N 3.1Å; Y189-C192 HydrophobicContact CD1-CB 4.16Å; Y189-C192 WeakPolarHBondContact O-CB 3.46Å; Y189-C192 PolarHBondContact O-N 3.07Å; Y189-C192 PolarHBondContact O-SG 3.23Å; Y189-T239 WeakPolarHBondContact O-CB 3.33Å; Y189-T239 VanDerWaalsContact O-CG2 3.31Å; Y189-T239 WeakPolarHBondContact O-CG2 3.2Å; Y189-I265 HydrophobicContact CE2-CG1 3.77Å; Y189-I265 WeakPolarHBondContact OH-CG1 3.42Å; Y189-D308 WeakPolarHBondContact OH-CB 3.46Å; Y189-F428 AromaticContact CD1-CD1 3.55Å; Y189-F428 HydrophobicContact CD1-CD1 3.55Å; Y189-F428 AromaticContact CD1-CE1 3.69Å; Y189-F428 HydrophobicContact CD1-CE1 3.69Å; Y189-F428 HydrophobicContact CD2-CD1 4.43Å; Y189-F428 HydrophobicContact CD2-CE1 4.41Å; Y189-F428 AromaticContact CE1-CD1 3.84Å; Y189-F428 HydrophobicContact CE1-CD1 3.84Å; Y189-F428 HydrophobicContact CE1-CE1 4.43Å; Y189-F428 AromaticContact CG-CD1 3.88Å; Y189-F428 HydrophobicContact CG-CD1 3.88Å; Y189-F428 AromaticContact CG-CE1 3.68Å; Y189-F428 HydrophobicContact CG-CE1 3.68Å; Y189-W433 HydrophobicContact CD1-CE3 4.37Å; Y189-W433 HydrophobicContact CD1-CZ3 4.36Å; Y189-W433 HydrophobicContact CE1-CD2 4.28Å; Y189-W433 AromaticContact CE1-CE3 3.75Å; Y189-W433 HydrophobicContact CE1-CE3 3.75Å; Y189-W433 HydrophobicContact CE1-CH2 4.31Å; Y189-W433 AromaticContact CE1-CZ3 3.76Å; Y189-W433 HydrophobicContact CE1-CZ3 3.76Å; Y189-W435 HydrophobicContact CD1-CH2 4.1Å; Y189-W435 HydrophobicContact CD1-CZ2 4.25Å; Y189-W435 HydrophobicContact CE1-CH2 4.25Å; Y189-W435 AromaticContact CE1-CZ2 3.92Å; Y189-W435 HydrophobicContact CE1-CZ2 3.92Å
190A95.1Very high96.6Very high0 Ų032.2 Ų32.20%015%0.145CC..G310 helixtrans-55.6-29.8175.400000111T187 A188 R234 K242 A243T187-A190 HydrophobicContact CG2-CB 4.14Å; T187-A190 VanDerWaalsContact O-CB 3.22Å; T187-A190 WeakPolarHBondContact O-CB 3.28Å; T187-A190 PolarHBondContact O-N 3.12Å; A188-A190 PolarHBondContact O-N 2.85Å; A188-A190 VanDerWaalsContact O-N 3.12Å; A190-R234 PolarHBondContact O-NH1 3.42Å; A190-R234 PolarHBondContact O-NH2 2.79Å; A190-K242 HydrophobicContact CB-CB 4.22Å; A190-A243 HydrophobicContact CB-CB 4.43Å; A190-A243 WeakPolarHBondContact O-CB 3.37Å
191N95Very high96.5Very high3 Ų331.1 Ų31.12%0.01614%0.141CC..G310 helixtrans-120.529.6178.8-66.6-63.2000113.9Y189 N193 R194 I197 Y202 R234Y189-N191 PolarHBondContact O-N 3.42Å; Y189-N191 VanDerWaalsContact O-N 3.1Å; N191-N193 PolarHBondContact O-N 3.21Å; N191-N193 PolarHBondContact O-OD1 2.87Å; N191-R194 WeakPolarHBondContact O-CB 3.29Å; N191-R194 PolarHBondContact O-N 2.82Å; N191-I197 HydrophobicContact CB-CD1 4.46Å; N191-I197 HydrophobicContact CB-CG2 4.4Å; N191-I197 VanDerWaalsContact O-CD1 3.31Å; N191-I197 WeakPolarHBondContact O-CD1 3.47Å; N191-Y202 HydrophobicContact CB-CD2 4.08Å; N191-Y202 HydrophobicContact CB-CE2 4.37Å; N191-Y202 WeakPolarHBondContact ND2-CD2 3.5Å; N191-R234 PolarHBondContact OD1-NH2 3.04Å
192C94.4Very high96.3Very high1 Ų132.2 Ų32.21%0.00715%0.145CC..THydrogen-bonded Turntrans-62.3-9.1-176.661.70000116.3Y189 R194 P235 Y427 W433Y189-C192 HydrophobicContact CD1-CB 4.16Å; Y189-C192 WeakPolarHBondContact O-CB 3.46Å; Y189-C192 PolarHBondContact O-N 3.07Å; Y189-C192 PolarHBondContact O-SG 3.23Å; C192-R194 PolarHBondContact O-N 3.28Å; C192-P235 VanDerWaalsContact SG-CD 3.53Å; C192-Y427 HydrophobicContact CB-CE1 4.2Å; C192-Y427 PolarHBondContact O-OH 2.73Å; C192-W433 HydrophobicContact CB-CZ2 3.85Å; C192-W433 PolarHBondContact O-NE1 3.3Å
193N93.5Very high95.9Very high61 Ų6137.1 Ų37.133%0.32618%0.177SC..THydrogen-bonded Turntrans-72.4-4.4168.765.7-58.1000113.1N191 D233 R234N191-N193 PolarHBondContact O-N 3.21Å; N191-N193 PolarHBondContact O-OD1 2.87Å; N193-D233 HydrophobicContact CB-CB 4.1Å; N193-R234 HydrophobicContact CB-CG 4.24Å; N193-R234 PolarHBondContact OD1-NH1 3.45Å; N193-R234 PolarHBondContact OD1-NH2 3.09Å
194R94.3Very high95.3Very high112 Ų11239.1 Ų39.142%0.42319%0.19SC..SBendtrans-110.3150.6172.5-59.4175.9176.4-85.5-2.1108.7N191 C192 I197 W433N191-R194 WeakPolarHBondContact O-CB 3.29Å; N191-R194 PolarHBondContact O-N 2.82Å; C192-R194 PolarHBondContact O-N 3.28Å; R194-I197 HydrophobicContact CB-CG1 4.13Å; R194-W433 PolarHBondContact O-NE1 2.98Å
195R93.3Very high94.3Very high155 Ų15543.8 Ų43.859%0.58522%0.22SC*.SBendtrans-81.3-49.7174.6-177178.8173.5146.94.5112.2W433 E434R195-W433 WeakPolarHBondContact O-CA 3.34Å; R195-E434 IonicContact CZ-OE1 3.46Å; R195-E434 IonicContact NE-OE1 3.6Å; R195-E434 PolarHBondContact NE-OE1 3.14Å; R195-E434 VanDerWaalsContact NE-OE1 3.08Å; R195-E434 IonicContact NH2-OE1 3.97Å; R195-E434 PolarHBondContact NH2-OE1 3.06Å; R195-E434 PolarHBondContact O-N 3.39Å
196H96.4Very high93.7Very high106 Ų10645.9 Ų45.949%0.49123%0.233SC..EExtended strand (participates in β ladder)trans-96.1127.5175.7-49.1-85.7000109E434H196-E434 WeakPolarHBondContact CA-O 3.32Å; H196-E434 IonicContact CE1-OE1 2.78Å; H196-E434 PolarHBondContact CE1-OE1 2.94Å; H196-E434 IonicContact CE1-OE2 3.82Å; H196-E434 PolarHBondContact CE1-OE2 2.74Å; H196-E434 IonicContact ND1-OE1 2.78Å; H196-E434 IonicContact ND1-OE2 3.66Å; H196-E434 PolarHBondContact ND1-OE2 3.21Å
197I96.6Very high93.3Very high0 Ų049.8 Ų49.80%025%0.251CS..EExtended strand (participates in β ladder)trans-129.4108.8-174.4-62.1167.4000109N191 R194 Y202 N338 W433 E434 W435 N436N191-I197 HydrophobicContact CB-CD1 4.46Å; N191-I197 HydrophobicContact CB-CG2 4.4Å; N191-I197 VanDerWaalsContact O-CD1 3.31Å; N191-I197 WeakPolarHBondContact O-CD1 3.47Å; R194-I197 HydrophobicContact CB-CG1 4.13Å; I197-Y202 HydrophobicContact CG2-CE2 4.23Å; I197-N338 PolarHBondContact O-ND2 3.08Å; I197-N338 VanDerWaalsContact O-ND2 3.14Å; I197-W433 HydrophobicContact CD1-CG 4.35Å; I197-E434 PolarHBondContact N-O 3.4Å; I197-W435 HydrophobicContact CB-CE3 3.69Å; I197-W435 HydrophobicContact CB-CZ3 3.74Å; I197-W435 HydrophobicContact CD1-CE3 3.96Å; I197-W435 HydrophobicContact CD1-CH2 3.58Å; I197-W435 HydrophobicContact CD1-CZ3 3.16Å; I197-W435 HydrophobicContact CG1-CE3 4.37Å; I197-W435 HydrophobicContact CG1-CZ3 3.99Å; I197-W435 HydrophobicContact CG2-CE3 3.93Å; I197-W435 HydrophobicContact CG2-CZ3 3.81Å; I197-N436 PolarHBondContact O-N 2.63Å
198D97.1Very high93Very high67 Ų6749.7 Ų49.736%0.35825%0.251SS..  trans-83.8164.1179-52.9-60.7000111.6I200 Y202 R262D198-I200 HydrophobicContact CB-CD1 4.43Å; D198-I200 HydrophobicContact CB-CG1 4.15Å; D198-I200 HydrophobicContact CB-CG2 4.48Å; D198-I200 PolarHBondContact O-N 2.72Å; D198-Y202 WeakPolarHBondContact CB-OH 3.44Å; D198-Y202 PolarHBondContact N-OH 2.85Å; D198-Y202 PolarHBondContact OD2-OH 2.92Å; D198-Y202 VanDerWaalsContact OD2-OH 3.09Å; D198-R262 PolarHBondContact O-NH1 3.24Å
199E97.1Very high92.7Very high16 Ų1655.2 Ų55.28%0.07528%0.275CS..SBendtrans-81.350175.9-73.4-178.4135.800112.2V336 Y337 N338 E438 N439E199-V336 HydrophobicContact CB-CB 4.38Å; E199-V336 VanDerWaalsContact CB-O 3.31Å; E199-V336 WeakPolarHBondContact CB-O 3.41Å; E199-V336 WeakPolarHBondContact CG-O 3.39Å; E199-Y337 WeakPolarHBondContact OE1-CA 3.34Å; E199-N338 HydrophobicContact CG-CB 4.02Å; E199-N338 WeakPolarHBondContact CG-ND2 3.34Å; E199-N338 PolarHBondContact OE1-N 2.88Å; E199-E438 PolarHBondContact OE2-N 3.16Å; E199-N439 WeakPolarHBondContact CB-ND2 3.42Å; E199-N439 WeakPolarHBondContact OE2-CA 3.4Å; E199-N439 WeakPolarHBondContact OE2-CB 3.35Å; E199-N439 PolarHBondContact OE2-N 3.02Å
200I96.4Very high92.5Very high88 Ų8860.4 Ų60.445%0.45130%0.297SS..SBendtrans-125159.7175.168.9-179.8000110.5D198 Y202 R262D198-I200 HydrophobicContact CB-CD1 4.43Å; D198-I200 HydrophobicContact CB-CG1 4.15Å; D198-I200 HydrophobicContact CB-CG2 4.48Å; D198-I200 PolarHBondContact O-N 2.72Å; I200-Y202 HydrophobicContact CD1-CD1 4.28Å; I200-Y202 HydrophobicContact CD1-CE1 3.82Å; I200-Y202 HydrophobicContact CG1-CD1 4.38Å; I200-Y202 HydrophobicContact CG1-CD2 4.27Å; I200-Y202 HydrophobicContact CG1-CE1 4.01Å; I200-Y202 HydrophobicContact CG1-CE2 3.91Å; I200-R262 PolarHBondContact O-NH1 3.05Å; I200-R262 PolarHBondContact O-NH2 3.12Å
201I95.9Very high92.4Very high17 Ų1760.7 Ų60.79%0.08730%0.299CS..PPolyproline II helixtrans-86.2117.8170.6-54.9175.8000107.7E246 Q250 I260 A334 V336I201-E246 HydrophobicContact CG2-CB 4.08Å; I201-Q250 HydrophobicContact CD1-CB 3.62Å; I201-Q250 HydrophobicContact CD1-CG 3.82Å; I201-Q250 HydrophobicContact CG2-CB 4.28Å; I201-I260 HydrophobicContact CD1-CD1 3.47Å; I201-I260 VanDerWaalsContact CD1-CD1 3.47Å; I201-I260 HydrophobicContact CG1-CD1 3.95Å; I201-A334 HydrophobicContact CD1-CB 4.04Å; I201-V336 HydrophobicContact CD1-CG2 4.42Å; I201-V336 HydrophobicContact CG1-CG2 3.69Å
202Y94.4Very high92.2Very high22 Ų2261.8 Ų61.89%0.08631%0.305CS..PPolyproline II helixtrans-81.9139-179.7-69.5-85.9000110.5N191 I197 D198 I200N191-Y202 HydrophobicContact CB-CD2 4.08Å; N191-Y202 HydrophobicContact CB-CE2 4.37Å; N191-Y202 WeakPolarHBondContact ND2-CD2 3.5Å; I197-Y202 HydrophobicContact CG2-CE2 4.23Å; D198-Y202 WeakPolarHBondContact CB-OH 3.44Å; D198-Y202 PolarHBondContact N-OH 2.85Å; D198-Y202 PolarHBondContact OD2-OH 2.92Å; D198-Y202 VanDerWaalsContact OD2-OH 3.09Å; I200-Y202 HydrophobicContact CD1-CD1 4.28Å; I200-Y202 HydrophobicContact CD1-CE1 3.82Å; I200-Y202 HydrophobicContact CG1-CD1 4.38Å; I200-Y202 HydrophobicContact CG1-CD2 4.27Å; I200-Y202 HydrophobicContact CG1-CE1 4.01Å; I200-Y202 HydrophobicContact CG1-CE2 3.91Å
203P90.4Very high92.1Very high103 Ų10366.5 Ų66.567%0.66933%0.326SS*.PPolyproline II helixtrans-61.2137178.325-33.4000110.3
204P86.8Confident92Very high42 Ų4266 Ų6627%0.27333%0.328SS..PPolyproline II helixtrans-75.7152.3-179.432.8-32.3000110V206 L244 C247P204-V206 WeakPolarHBondContact CB-O 3.4Å; P204-V206 PolarHBondContact O-N 2.79Å; P204-L244 HydrophobicContact CB-CD2 3.78Å; P204-C247 WeakPolarHBondContact CD-SG 3.13Å; P204-C247 HydrophobicContact CG-CB 4.09Å; P204-C247 VanDerWaalsContact CG-SG 3.6Å
205P78.1Confident91.8Very high98 Ų9861 Ų6164%0.63631%0.31SS*.SBendtrans-66.5-27177.128.1-34.7000112.3Y240P205-Y240 HydrophobicContact CG-CE2 3.98Å
206V85.8Confident91.6Very high54 Ų5460.9 Ų60.933%0.32732%0.316SS..SBendtrans-134.8137.5176.4-177.70000108.2P204 L211P204-V206 WeakPolarHBondContact CB-O 3.4Å; P204-V206 PolarHBondContact O-N 2.79Å; V206-L211 HydrophobicContact CG1-CB 4.15Å
207E89.3Confident91.2Very high85 Ų8564.6 Ų64.640%0.39733%0.326SS..  trans-58.6127.4174.8-171.4-179.6174.100110.8K209 K210 L211E207-K209 VanDerWaalsContact C-N 3.28Å; E207-K209 PolarHBondContact O-N 3.15Å; E207-K210 HydrophobicContact CB-CD 4.23Å; E207-K210 HydrophobicContact CB-CG 4.39Å; E207-K210 PolarHBondContact O-N 3.12Å; E207-K210 VanDerWaalsContact O-N 3.17Å; E207-K210 VanDerWaalsContact OE2-CE 3.25Å; E207-K210 WeakPolarHBondContact OE2-CE 3.41Å; E207-K210 IonicContact OE2-NZ 2.63Å; E207-K210 PolarHBondContact OE2-NZ 3.14Å; E207-L211 PolarHBondContact O-N 3.05Å
208P91.5Very high91Very high2 Ų266 Ų661%0.01333%0.333CS..Hα-helixtrans-53.4-42-173.4-29.234.2000113.9V163 L211 I212 L244 C247 V248V163-P208 HydrophobicContact CG1-CB 4.41Å; P208-L211 PolarHBondContact O-N 3.46Å; P208-I212 WeakPolarHBondContact O-CD1 3.4Å; P208-I212 VanDerWaalsContact O-CG1 3.25Å; P208-I212 WeakPolarHBondContact O-CG1 3.42Å; P208-I212 PolarHBondContact O-N 3.07Å; P208-L244 HydrophobicContact CG-CD2 4.2Å; P208-C247 HydrophobicContact CG-CB 4.06Å; P208-V248 HydrophobicContact CB-CG2 3.72Å; P208-V248 HydrophobicContact CG-CG2 3.96Å
209K90.2Very high90.8Very high116 Ų11667 Ų6750%0.50434%0.338SS..Hα-helixtrans-59.8-48.8-179.7-175.3176.1175.9179.90112.5E207 L211 I212 E213E207-K209 VanDerWaalsContact C-N 3.28Å; E207-K209 PolarHBondContact O-N 3.15Å; K209-L211 VanDerWaalsContact C-N 3.29Å; K209-L211 PolarHBondContact O-N 3.28Å; K209-I212 PolarHBondContact O-N 2.76Å; K209-E213 WeakPolarHBondContact CE-OE1 3.12Å; K209-E213 WeakPolarHBondContact CG-OE1 3.39Å; K209-E213 WeakPolarHBondContact O-CG 3.48Å; K209-E213 PolarHBondContact O-N 3.35Å
210K91.4Very high90.5Very high120 Ų12071.5 Ų71.552%0.52236%0.362SS..Hα-helixtrans-62.4-38.2178.8-68.9178.4177.4136.70112E207 S214E207-K210 HydrophobicContact CB-CD 4.23Å; E207-K210 HydrophobicContact CB-CG 4.39Å; E207-K210 PolarHBondContact O-N 3.12Å; E207-K210 VanDerWaalsContact O-N 3.17Å; E207-K210 VanDerWaalsContact OE2-CE 3.25Å; E207-K210 WeakPolarHBondContact OE2-CE 3.41Å; E207-K210 IonicContact OE2-NZ 2.63Å; E207-K210 PolarHBondContact OE2-NZ 3.14Å; K210-S214 VanDerWaalsContact O-CB 3.3Å; K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 2.88Å; K210-S214 PolarHBondContact O-OG 2.71Å
211L92.3Very high90.4Very high6 Ų668.1 Ų68.13%0.03135%0.349CS..Hα-helixtrans-65.9-45.5176.7179.867.2000111.4L159 V206 E207 P208 K209 S214 V215 L230 Y240 L244L159-L211 HydrophobicContact CD1-CD2 4.22Å; L159-L211 HydrophobicContact CD1-CG 4.28Å; L159-L211 HydrophobicContact CD2-CD2 3.85Å; V206-L211 HydrophobicContact CG1-CB 4.15Å; E207-L211 PolarHBondContact O-N 3.05Å; P208-L211 PolarHBondContact O-N 3.46Å; K209-L211 VanDerWaalsContact C-N 3.29Å; K209-L211 PolarHBondContact O-N 3.28Å; L211-S214 PolarHBondContact O-N 2.88Å; L211-V215 HydrophobicContact CD1-CG2 3.87Å; L211-V215 HydrophobicContact CG-CG2 4.31Å; L211-V215 WeakPolarHBondContact O-CB 3.16Å; L211-V215 VanDerWaalsContact O-CG2 3.28Å; L211-V215 WeakPolarHBondContact O-CG2 3.14Å; L211-V215 PolarHBondContact O-N 2.82Å; L211-L230 HydrophobicContact CD1-CD1 4.1Å; L211-L230 HydrophobicContact CD1-CD2 4.16Å; L211-Y240 HydrophobicContact CD2-CE1 3.85Å; L211-Y240 WeakPolarHBondContact CD2-OH 3.49Å; L211-L244 HydrophobicContact CD2-CD1 3.47Å; L211-L244 VanDerWaalsContact CD2-CD1 3.47Å
212I91.4Very high90.2Very high26 Ų2670.8 Ų70.813%0.13336%0.363CS..Hα-helixtrans-58.2-53.6178.2-70.3160.7000109.9V163 I164 P208 K209 S214 V215 E216V163-I212 HydrophobicContact CG1-CD1 4.08Å; I164-I212 HydrophobicContact CD1-CG1 4.12Å; I164-I212 HydrophobicContact CD1-CG2 3.76Å; I164-I212 HydrophobicContact CG1-CD1 3.77Å; I164-I212 HydrophobicContact CG1-CG1 3.89Å; I164-I212 HydrophobicContact CG1-CG2 4.07Å; P208-I212 WeakPolarHBondContact O-CD1 3.4Å; P208-I212 VanDerWaalsContact O-CG1 3.25Å; P208-I212 WeakPolarHBondContact O-CG1 3.42Å; P208-I212 PolarHBondContact O-N 3.07Å; K209-I212 PolarHBondContact O-N 2.76Å; I212-S214 VanDerWaalsContact C-N 3.27Å; I212-S214 PolarHBondContact O-N 2.73Å; I212-V215 PolarHBondContact O-N 3.09Å; I212-E216 WeakPolarHBondContact O-CB 3.47Å; I212-E216 PolarHBondContact O-N 3.22Å
213E91.8Very high90.2Very high100 Ų10070 Ų7047%0.46736%0.36SS..Hα-helixtrans-58.2-39.2179.3-70.9170.3-177.600111.8K209K209-E213 WeakPolarHBondContact CE-OE1 3.12Å; K209-E213 WeakPolarHBondContact CG-OE1 3.39Å; K209-E213 WeakPolarHBondContact O-CG 3.48Å; K209-E213 PolarHBondContact O-N 3.35Å
214S90.8Very high90.4Very high51 Ų5172.7 Ų72.736%0.35736%0.357SS..Hα-helixtrans-69.1-42.4178.7-60.40000112.6K210 L211 I212 W217 M218K210-S214 VanDerWaalsContact O-CB 3.3Å; K210-S214 WeakPolarHBondContact O-CB 3.44Å; K210-S214 PolarHBondContact O-N 2.88Å; K210-S214 PolarHBondContact O-OG 2.71Å; L211-S214 PolarHBondContact O-N 2.88Å; I212-S214 VanDerWaalsContact C-N 3.27Å; I212-S214 PolarHBondContact O-N 2.73Å; S214-W217 PolarHBondContact O-NE1 2.77Å; S214-W217 VanDerWaalsContact O-NE1 3.14Å; S214-M218 WeakPolarHBondContact O-CE 3.18Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.44Å
215V90.4Very high90.8Very high6 Ų675.9 Ų75.94%0.03637%0.372CS..Hα-helixtrans-77.6-25.3-174.7169.40000112K156 L159 L211 I212 V223K156-V215 HydrophobicContact CB-CG1 4.44Å; K156-V215 HydrophobicContact CD-CG1 4.35Å; K156-V215 WeakPolarHBondContact CE-O 3.38Å; K156-V215 HydrophobicContact CG-CG1 3.33Å; L159-V215 HydrophobicContact CD1-CB 4.25Å; L159-V215 HydrophobicContact CD1-CG1 4Å; L159-V215 HydrophobicContact CD1-CG2 4.11Å; L211-V215 HydrophobicContact CD1-CG2 3.87Å; L211-V215 HydrophobicContact CG-CG2 4.31Å; L211-V215 WeakPolarHBondContact O-CB 3.16Å; L211-V215 VanDerWaalsContact O-CG2 3.28Å; L211-V215 WeakPolarHBondContact O-CG2 3.14Å; L211-V215 PolarHBondContact O-N 2.82Å; I212-V215 PolarHBondContact O-N 3.09Å; V215-V223 HydrophobicContact CG1-CG1 4.4Å; V215-V223 HydrophobicContact CG1-CG2 4.07Å
216E88.8Confident91.5Very high154 Ų15473.9 Ų73.972%0.7236%0.355SS*.Hα-helixtrans-60.7-45-176.8-174.9171.3-161.700113.2I212I212-E216 WeakPolarHBondContact O-CB 3.47Å; I212-E216 PolarHBondContact O-N 3.22Å
217W88.3Confident91.9Very high184 Ų18472.1 Ų72.170%0.69735%0.345SS*.Hα-helixtrans-88-19.9-177.165-97000114.4S214S214-W217 PolarHBondContact O-NE1 2.77Å; S214-W217 VanDerWaalsContact O-NE1 3.14Å
218M92.8Very high92.1Very high29 Ų2972.1 Ų72.114%0.14335%0.352CS..SBendtrans-67.9147.7-180-71.1175-172.300110.8K156 S214 I222 V223 I226K156-M218 WeakPolarHBondContact CE-O 3.42Å; K156-M218 PolarHBondContact NZ-O 3.26Å; S214-M218 WeakPolarHBondContact O-CE 3.18Å; S214-M218 VanDerWaalsContact O-CG 3.24Å; S214-M218 WeakPolarHBondContact O-CG 3.44Å; M218-I222 HydrophobicContact CB-CG2 4.31Å; M218-I222 HydrophobicContact CG-CG2 4.23Å; M218-I222 HydrophobicContact SD-CG2 4.07Å; M218-V223 HydrophobicContact CB-CG2 3.72Å; M218-V223 HydrophobicContact SD-CG2 4.43Å; M218-I226 HydrophobicContact CE-CD1 4.42Å; M218-I226 HydrophobicContact SD-CD1 3.66Å
219D92.9Very high92.1Very high87 Ų8782.8 Ų82.847%0.46539%0.392SS..  trans-73.8160.7170.268.887.4000112.1G221 I222 V223D219-G221 PolarHBondContact O-N 3.49Å; D219-G221 VanDerWaalsContact OD1-CA 3.22Å; D219-G221 WeakPolarHBondContact OD1-CA 3.4Å; D219-G221 PolarHBondContact OD1-N 2.92Å; D219-I222 PolarHBondContact O-N 3.44Å; D219-I222 PolarHBondContact OD1-N 3.44Å; D219-I222 WeakPolarHBondContact OD2-CD1 3.47Å; D219-I222 WeakPolarHBondContact OD2-CG1 3.43Å; D219-V223 WeakPolarHBondContact O-CG2 3.47Å; D219-V223 PolarHBondContact O-N 2.93Å
220D91.4Very high92.2Very high111 Ų11179.3 Ų79.359%0.59438%0.379SS*.Hα-helixtrans-63.2-26.9-176.8-69.2-0.6000113.2K156 R224K156-D220 WeakPolarHBondContact CD-OD1 3.44Å; K156-D220 WeakPolarHBondContact CE-OD1 3.26Å; K156-D220 IonicContact NZ-OD1 2.77Å; K156-D220 PolarHBondContact NZ-OD1 3.11Å; D220-R224 VanDerWaalsContact O-CB 3.32Å; D220-R224 WeakPolarHBondContact O-CB 3.33Å; D220-R224 PolarHBondContact O-N 3.31Å
221G93.4Very high92.2Very high17 Ų1774.8 Ų74.818%0.17536%0.36CS..Hα-helixtrans-67.8-52.5175.600000111.2D219 V223 R224 D225D219-G221 PolarHBondContact O-N 3.49Å; D219-G221 VanDerWaalsContact OD1-CA 3.22Å; D219-G221 WeakPolarHBondContact OD1-CA 3.4Å; D219-G221 PolarHBondContact OD1-N 2.92Å; G221-V223 VanDerWaalsContact C-N 3.34Å; G221-V223 PolarHBondContact O-N 2.83Å; G221-R224 PolarHBondContact O-N 2.7Å; G221-D225 PolarHBondContact O-N 3.46Å
222I93.3Very high92.2Very high73 Ų7376.6 Ų76.637%0.37438%0.38SS..Hα-helixtrans-56.7-48.5175.2-69.2179000110.5M218 D219 R224 D225 I226M218-I222 HydrophobicContact CB-CG2 4.31Å; M218-I222 HydrophobicContact CG-CG2 4.23Å; M218-I222 HydrophobicContact SD-CG2 4.07Å; D219-I222 PolarHBondContact O-N 3.44Å; D219-I222 PolarHBondContact OD1-N 3.44Å; D219-I222 WeakPolarHBondContact OD2-CD1 3.47Å; D219-I222 WeakPolarHBondContact OD2-CG1 3.43Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 3.4Å; I222-D225 PolarHBondContact O-N 3.3Å; I222-D225 VanDerWaalsContact O-N 3.11Å; I222-I226 HydrophobicContact CG2-CG2 4.48Å; I222-I226 WeakPolarHBondContact O-CG1 3.36Å; I222-I226 PolarHBondContact O-N 2.84Å
223V94.1Very high92.2Very high5 Ų581.8 Ų81.83%0.0341%0.408CS..Hα-helixtrans-58.6-45.3-179.7173.80000111.2L155 K156 V215 M218 D219 G221 D225 I226 T227L155-V223 HydrophobicContact CB-CG1 4Å; L155-V223 HydrophobicContact CD2-CG1 4.23Å; L155-V223 HydrophobicContact CG-CG1 4.46Å; K156-V223 HydrophobicContact CD-CG2 4.18Å; K156-V223 HydrophobicContact CG-CG1 4.22Å; K156-V223 HydrophobicContact CG-CG2 4.27Å; V215-V223 HydrophobicContact CG1-CG1 4.4Å; V215-V223 HydrophobicContact CG1-CG2 4.07Å; M218-V223 HydrophobicContact CB-CG2 3.72Å; M218-V223 HydrophobicContact SD-CG2 4.43Å; D219-V223 WeakPolarHBondContact O-CG2 3.47Å; D219-V223 PolarHBondContact O-N 2.93Å; G221-V223 VanDerWaalsContact C-N 3.34Å; G221-V223 PolarHBondContact O-N 2.83Å; V223-D225 VanDerWaalsContact C-N 3.28Å; V223-D225 PolarHBondContact O-N 3.38Å; V223-I226 WeakPolarHBondContact O-CG1 3.36Å; V223-I226 PolarHBondContact O-N 3.32Å; V223-T227 WeakPolarHBondContact O-CB 3.15Å; V223-T227 PolarHBondContact O-N 3.01Å; V223-T227 PolarHBondContact O-OG1 2.84Å
224R94.1Very high92.3Very high161 Ų16178.1 Ų78.161%0.60839%0.39SS*.Hα-helixtrans-59.6-40.8177.8-178.4-169.763.1-128.1-9.8111.5D220 G221 I222 P228D220-R224 VanDerWaalsContact O-CB 3.32Å; D220-R224 WeakPolarHBondContact O-CB 3.33Å; D220-R224 PolarHBondContact O-N 3.31Å; G221-R224 PolarHBondContact O-N 2.7Å; I222-R224 VanDerWaalsContact C-N 3.32Å; I222-R224 PolarHBondContact O-N 3.4Å; R224-P228 WeakPolarHBondContact O-CD 3.32Å
225D94.3Very high92.4Very high109 Ų10977.8 Ų77.858%0.58339%0.387SS*.Hα-helixtrans-73.8-31.9-175.8-63-6.6000112.1G221 I222 V223G221-D225 PolarHBondContact O-N 3.46Å; I222-D225 PolarHBondContact O-N 3.3Å; I222-D225 VanDerWaalsContact O-N 3.11Å; V223-D225 VanDerWaalsContact C-N 3.28Å; V223-D225 PolarHBondContact O-N 3.38Å
226I93Very high92.5Very high55 Ų5578 Ų7828%0.28239%0.388SS..Hα-helixtrans-86.5-20.2174.869.7176.6000113.9M218 I222 V223 P228 R229 L230M218-I226 HydrophobicContact CE-CD1 4.42Å; M218-I226 HydrophobicContact SD-CD1 3.66Å; I222-I226 HydrophobicContact CG2-CG2 4.48Å; I222-I226 WeakPolarHBondContact O-CG1 3.36Å; I222-I226 PolarHBondContact O-N 2.84Å; V223-I226 WeakPolarHBondContact O-CG1 3.36Å; V223-I226 PolarHBondContact O-N 3.32Å; I226-P228 VanDerWaalsContact C-CD 3.45Å; I226-P228 VanDerWaalsContact C-N 3.34Å; I226-R229 WeakPolarHBondContact O-CB 3.38Å; I226-R229 PolarHBondContact O-N 2.84Å; I226-L230 HydrophobicContact CD1-CD1 3.84Å; I226-L230 HydrophobicContact CG1-CD1 3.84Å; I226-L230 HydrophobicContact CG1-CG 4.43Å; I226-L230 PolarHBondContact O-N 2.95Å; I226-L230 VanDerWaalsContact O-N 3.16Å
227T94.1Very high92.8Very high18 Ų1871.1 Ų71.111%0.1136%0.356CS..Hα-helixtrans-49.2-45.9-176.2-70.50000113.2L155 V223 R229 L230 I231 T237L155-T227 HydrophobicContact CB-CG2 4.11Å; L155-T227 WeakPolarHBondContact CB-OG1 3.43Å; L155-T227 HydrophobicContact CD2-CG2 4.34Å; V223-T227 WeakPolarHBondContact O-CB 3.15Å; V223-T227 PolarHBondContact O-N 3.01Å; V223-T227 PolarHBondContact O-OG1 2.84Å; T227-R229 PolarHBondContact O-N 3.3Å; T227-L230 PolarHBondContact O-N 3.43Å; T227-I231 HydrophobicContact CG2-CG2 4.09Å; T227-I231 WeakPolarHBondContact O-CG1 3.4Å; T227-I231 PolarHBondContact O-N 3.19Å; T227-T237 HydrophobicContact CG2-CG2 3.81Å
228P93.6Very high93Very high84 Ų8463.5 Ų63.555%0.54533%0.328SS..Hα-helixtrans-58-34.9178.8-26.135.8000113.6R224 I226 G232R224-P228 WeakPolarHBondContact O-CD 3.32Å; I226-P228 VanDerWaalsContact C-CD 3.45Å; I226-P228 VanDerWaalsContact C-N 3.34Å; P228-G232 PolarHBondContact O-N 2.92Å
229R92.1Very high93.1Very high227 Ų22762.1 Ų62.186%0.85732%0.321SS*.Hα-helixtrans-74.5-34.4176.6-65.7-174.1177.7-1730.1112.2I226 T227I226-R229 WeakPolarHBondContact O-CB 3.38Å; I226-R229 PolarHBondContact O-N 2.84Å; T227-R229 PolarHBondContact O-N 3.3Å
230L91.8Very high93.2Very high42 Ų4258.1 Ų58.122%0.2230%0.299CS..Hα-helixtrans-71-42.2179.5-68.3174.8000112.5L155 L211 I226 T227 G232 Y240L155-L230 HydrophobicContact CD2-CB 4.43Å; L155-L230 HydrophobicContact CD2-CD1 3.53Å; L211-L230 HydrophobicContact CD1-CD1 4.1Å; L211-L230 HydrophobicContact CD1-CD2 4.16Å; I226-L230 HydrophobicContact CD1-CD1 3.84Å; I226-L230 HydrophobicContact CG1-CD1 3.84Å; I226-L230 HydrophobicContact CG1-CG 4.43Å; I226-L230 PolarHBondContact O-N 2.95Å; I226-L230 VanDerWaalsContact O-N 3.16Å; T227-L230 PolarHBondContact O-N 3.43Å; L230-G232 VanDerWaalsContact C-N 3.33Å; L230-Y240 WeakPolarHBondContact O-CE2 3.29Å
231I92.6Very high93.4Very high25 Ų2552.8 Ų52.813%0.12827%0.271CS..Hα-helixtrans-77.9-20.4-179.370.5179.1000112.6T227 D233 R234 T237 Y240T227-I231 HydrophobicContact CG2-CG2 4.09Å; T227-I231 WeakPolarHBondContact O-CG1 3.4Å; T227-I231 PolarHBondContact O-N 3.19Å; I231-D233 PolarHBondContact O-N 3.47Å; I231-R234 HydrophobicContact CB-CB 4.45Å; I231-R234 VanDerWaalsContact O-CB 3.28Å; I231-R234 WeakPolarHBondContact O-CB 3.3Å; I231-R234 VanDerWaalsContact O-CG 3.3Å; I231-R234 WeakPolarHBondContact O-CG 3.45Å; I231-R234 PolarHBondContact O-N 3.22Å; I231-T237 HydrophobicContact CG2-CG2 4.39Å; I231-Y240 HydrophobicContact CB-CG 4.29Å; I231-Y240 HydrophobicContact CG2-CD1 3.81Å; I231-Y240 HydrophobicContact CG2-CG 3.88Å
232G91.9Very high93.5Very high45 Ų4552.2 Ų52.246%0.46426%0.263SS..THydrogen-bonded Turntrans60.7-131.2177.800000112.4P228 L230 R234P228-G232 PolarHBondContact O-N 2.92Å; L230-G232 VanDerWaalsContact C-N 3.33Å; G232-R234 PolarHBondContact O-N 2.96Å; G232-R234 VanDerWaalsContact O-N 3.14Å
233D91.7Very high93.6Very high134 Ų13449.1 Ų49.172%0.71725%0.249SC*.THydrogen-bonded Turntrans-74.82.8-177.8-58.6-35.4000114.1N193 I231 Y427N193-D233 HydrophobicContact CB-CB 4.1Å; I231-D233 PolarHBondContact O-N 3.47Å; D233-Y427 PolarHBondContact O-OH 3.3Å
234R93Very high93.7Very high23 Ų2349 Ų499%0.08725%0.248CC..  trans-78.9142.2179.5-61-177.3-179.4-69.18.3110.7A190 N191 N193 I231 G232 N236A190-R234 PolarHBondContact O-NH1 3.42Å; A190-R234 PolarHBondContact O-NH2 2.79Å; N191-R234 PolarHBondContact OD1-NH2 3.04Å; N193-R234 HydrophobicContact CB-CG 4.24Å; N193-R234 PolarHBondContact OD1-NH1 3.45Å; N193-R234 PolarHBondContact OD1-NH2 3.09Å; I231-R234 HydrophobicContact CB-CB 4.45Å; I231-R234 VanDerWaalsContact O-CB 3.28Å; I231-R234 WeakPolarHBondContact O-CB 3.3Å; I231-R234 VanDerWaalsContact O-CG 3.3Å; I231-R234 WeakPolarHBondContact O-CG 3.45Å; I231-R234 PolarHBondContact O-N 3.22Å; G232-R234 PolarHBondContact O-N 2.96Å; G232-R234 VanDerWaalsContact O-N 3.14Å; R234-N236 VanDerWaalsContact C-N 3.29Å; R234-N236 PolarHBondContact O-N 3.22Å
235P92.3Very high93.9Very high44 Ų4441.3 Ų41.329%0.28622%0.219SC..SBendtrans-71.4-21.3-173.728.3-36.6000114.4C192 T239 Y427 F428C192-P235 VanDerWaalsContact SG-CD 3.53Å; P235-T239 HydrophobicContact CG-CG2 4.16Å; P235-Y427 HydrophobicContact CB-CD1 3.66Å; P235-Y427 HydrophobicContact CB-CD2 3.7Å; P235-Y427 HydrophobicContact CB-CE1 4.01Å; P235-Y427 HydrophobicContact CB-CE2 4.03Å; P235-Y427 HydrophobicContact CB-CG 3.48Å; P235-Y427 VanDerWaalsContact CB-CG 3.48Å; P235-Y427 HydrophobicContact CG-CD1 3.55Å; P235-Y427 HydrophobicContact CG-CD2 4.37Å; P235-Y427 HydrophobicContact CG-CE1 3.59Å; P235-Y427 HydrophobicContact CG-CE2 4.4Å; P235-Y427 HydrophobicContact CG-CG 3.95Å; P235-F428 HydrophobicContact CG-CE1 4.16Å; P235-F428 HydrophobicContact CG-CE2 4.33Å; P235-F428 HydrophobicContact CG-CZ 3.65Å
236N93.6Very high94Very high10 Ų1036.1 Ų36.15%0.05319%0.191CC..SBendtrans-163167.8-173.955.151.6000112.6F151 R234 Y238 T239F151-N236 HydrophobicContact CB-CB 4.33Å; F151-N236 WeakPolarHBondContact O-CB 3.33Å; R234-N236 VanDerWaalsContact C-N 3.29Å; R234-N236 PolarHBondContact O-N 3.22Å; N236-Y238 VanDerWaalsContact C-N 3.25Å; N236-Y238 PolarHBondContact O-N 3.48Å; N236-Y238 WeakPolarHBondContact OD1-CB 3.47Å; N236-Y238 PolarHBondContact OD1-N 2.85Å; N236-T239 PolarHBondContact O-OG1 2.91Å; N236-T239 WeakPolarHBondContact OD1-CG2 3.26Å; N236-T239 PolarHBondContact OD1-N 3.32Å; N236-T239 PolarHBondContact OD1-OG1 3.28Å
237T94Very high94.2Very high11 Ų1133.7 Ų33.77%0.06718%0.179CC..Hα-helixtrans-63.9-27.9176.651.50000113.1E153 L155 T227 I231 T241E153-T237 PolarHBondContact O-OG1 2.86Å; L155-T237 HydrophobicContact CB-CG2 4.02Å; L155-T237 HydrophobicContact CD1-CG2 4.21Å; T227-T237 HydrophobicContact CG2-CG2 3.81Å; I231-T237 HydrophobicContact CG2-CG2 4.39Å; T237-T241 WeakPolarHBondContact O-CB 3.42Å; T237-T241 VanDerWaalsContact O-CG2 3.29Å; T237-T241 WeakPolarHBondContact O-CG2 3.1Å; T237-T241 PolarHBondContact O-N 3.06Å; T237-T241 PolarHBondContact O-OG1 3.42Å
238Y93.8Very high94.2Very high24 Ų2432.9 Ų32.99%0.09417%0.174CC..Hα-helixtrans-62.3-54.9178.8168.6-102.1000112T148 I149 F151 T187 N236 Y240 T241 K242T148-Y238 WeakPolarHBondContact O-CD2 3.45Å; T148-Y238 WeakPolarHBondContact O-CE2 3.31Å; I149-Y238 HydrophobicContact CG2-CE2 4.39Å; F151-Y238 AromaticContact CD1-CD1 3.89Å; F151-Y238 HydrophobicContact CD1-CD1 3.89Å; F151-Y238 AromaticContact CD1-CG 3.98Å; F151-Y238 HydrophobicContact CD1-CG 3.98Å; F151-Y238 AromaticContact CE1-CD1 3.46Å; F151-Y238 HydrophobicContact CE1-CD1 3.46Å; F151-Y238 VanDerWaalsContact CE1-CD1 3.46Å; F151-Y238 AromaticContact CE1-CE1 3.88Å; F151-Y238 HydrophobicContact CE1-CE1 3.88Å; F151-Y238 AromaticContact CE1-CG 3.94Å; F151-Y238 HydrophobicContact CE1-CG 3.94Å; F151-Y238 HydrophobicContact CZ-CD1 4.46Å; T187-Y238 HydrophobicContact CG2-CE1 3.69Å; N236-Y238 VanDerWaalsContact C-N 3.25Å; N236-Y238 PolarHBondContact O-N 3.48Å; N236-Y238 WeakPolarHBondContact OD1-CB 3.47Å; N236-Y238 PolarHBondContact OD1-N 2.85Å; Y238-Y240 VanDerWaalsContact C-N 3.29Å; Y238-Y240 PolarHBondContact O-N 3.45Å; Y238-T241 PolarHBondContact O-N 3.03Å; Y238-T241 PolarHBondContact O-OG1 2.6Å; Y238-K242 HydrophobicContact CD2-CG 4.22Å; Y238-K242 HydrophobicContact CE2-CG 3.83Å; Y238-K242 WeakPolarHBondContact O-CB 3.37Å; Y238-K242 WeakPolarHBondContact O-CG 3.47Å; Y238-K242 PolarHBondContact O-N 3.14Å
239T94.6Very high94.4Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-60.3-40.5179.3530000111.7Y189 P235 N236 A243 F428Y189-T239 WeakPolarHBondContact O-CB 3.33Å; Y189-T239 VanDerWaalsContact O-CG2 3.31Å; Y189-T239 WeakPolarHBondContact O-CG2 3.2Å; P235-T239 HydrophobicContact CG-CG2 4.16Å; N236-T239 PolarHBondContact O-OG1 2.91Å; N236-T239 WeakPolarHBondContact OD1-CG2 3.26Å; N236-T239 PolarHBondContact OD1-N 3.32Å; N236-T239 PolarHBondContact OD1-OG1 3.28Å; T239-A243 PolarHBondContact O-N 2.82Å; T239-F428 HydrophobicContact CG2-CE1 4.24Å; T239-F428 HydrophobicContact CG2-CZ 3.85Å
240Y94.9Very high94.6Very high2 Ų221.1 Ų21.11%0.00812%0.122CC..Hα-helixtrans-62.4-51176-179.3-118.6000112.9L155 P205 L211 L230 I231 Y238 K242 A243 L244L155-Y240 HydrophobicContact CD1-CD1 3.95Å; L155-Y240 HydrophobicContact CD1-CE1 4.17Å; P205-Y240 HydrophobicContact CG-CE2 3.98Å; L211-Y240 HydrophobicContact CD2-CE1 3.85Å; L211-Y240 WeakPolarHBondContact CD2-OH 3.49Å; L230-Y240 WeakPolarHBondContact O-CE2 3.29Å; I231-Y240 HydrophobicContact CB-CG 4.29Å; I231-Y240 HydrophobicContact CG2-CD1 3.81Å; I231-Y240 HydrophobicContact CG2-CG 3.88Å; Y238-Y240 VanDerWaalsContact C-N 3.29Å; Y238-Y240 PolarHBondContact O-N 3.45Å; Y240-K242 VanDerWaalsContact C-N 3.32Å; Y240-K242 PolarHBondContact O-N 3.02Å; Y240-A243 PolarHBondContact O-N 3.35Å; Y240-L244 HydrophobicContact CD1-CD1 3.98Å; Y240-L244 HydrophobicContact CE1-CD1 3.54Å; Y240-L244 HydrophobicContact CE1-CG 4.46Å; Y240-L244 HydrophobicContact CE2-CD1 4.29Å; Y240-L244 HydrophobicContact CE2-CG 4.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.46Å; Y240-L244 PolarHBondContact O-N 3.31Å; Y240-L244 VanDerWaalsContact O-N 3.1Å
241T95.4Very high94.7Very high0 Ų023.5 Ų23.50%013%0.132CC..Hα-helixtrans-70.8-27-177.154.40000112.9L155 A158 L159 N162 V163 T237 Y238 L244 A245L155-T241 HydrophobicContact CD1-CG2 4.11Å; A158-T241 HydrophobicContact CB-CG2 3.81Å; L159-T241 HydrophobicContact CD2-CG2 3.91Å; L159-T241 HydrophobicContact CG-CG2 4.05Å; N162-T241 PolarHBondContact ND2-OG1 3.36Å; V163-T241 WeakPolarHBondContact CG2-O 3.49Å; T237-T241 WeakPolarHBondContact O-CB 3.42Å; T237-T241 VanDerWaalsContact O-CG2 3.29Å; T237-T241 WeakPolarHBondContact O-CG2 3.1Å; T237-T241 PolarHBondContact O-N 3.06Å; T237-T241 PolarHBondContact O-OG1 3.42Å; Y238-T241 PolarHBondContact O-N 3.03Å; Y238-T241 PolarHBondContact O-OG1 2.6Å; T241-L244 PolarHBondContact O-N 3Å; T241-A245 WeakPolarHBondContact O-CB 3.37Å; T241-A245 PolarHBondContact O-N 3.41Å
242K96Very high94.8Very high4 Ų423.5 Ų23.52%0.01713%0.131CC..Hα-helixtrans-68.4-41.2170.9-77.8-66.7-163177.80112.7I185 T187 A190 Y238 Y240 L244 A245 E246I185-K242 PolarHBondContact O-NZ 3.1Å; T187-K242 HydrophobicContact CG2-CB 3.96Å; T187-K242 HydrophobicContact CG2-CG 4.04Å; A190-K242 HydrophobicContact CB-CB 4.22Å; Y238-K242 HydrophobicContact CD2-CG 4.22Å; Y238-K242 HydrophobicContact CE2-CG 3.83Å; Y238-K242 WeakPolarHBondContact O-CB 3.37Å; Y238-K242 WeakPolarHBondContact O-CG 3.47Å; Y238-K242 PolarHBondContact O-N 3.14Å; Y240-K242 VanDerWaalsContact C-N 3.32Å; Y240-K242 PolarHBondContact O-N 3.02Å; K242-L244 VanDerWaalsContact C-N 3.32Å; K242-L244 PolarHBondContact O-N 3.08Å; K242-A245 WeakPolarHBondContact O-CB 3.45Å; K242-A245 PolarHBondContact O-N 2.94Å; K242-E246 WeakPolarHBondContact O-CG 3.18Å; K242-E246 PolarHBondContact O-N 3.41Å; K242-E246 VanDerWaalsContact O-N 3.13Å
243A95.9Very high94.9Very high9 Ų923.8 Ų23.87%0.07412%0.12CC..Hα-helixtrans-60.3-42.1171.400000112.3A190 T239 Y240 A245 E246 C247A190-A243 HydrophobicContact CB-CB 4.43Å; A190-A243 WeakPolarHBondContact O-CB 3.37Å; T239-A243 PolarHBondContact O-N 2.82Å; Y240-A243 PolarHBondContact O-N 3.35Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3Å; A243-E246 PolarHBondContact O-N 2.85Å; A243-C247 PolarHBondContact O-N 2.86Å; A243-C247 PolarHBondContact O-SG 3.04Å
244L96.1Very high94.9Very high1 Ų124.4 Ų24.41%0.00512%0.124CC..Hα-helixtrans-64.3-38.6176-67.9174.4000112.5L159 V163 P204 P208 L211 Y240 T241 K242 E246 C247 V248L159-L244 HydrophobicContact CD2-CD1 3.76Å; V163-L244 HydrophobicContact CG1-CB 4.43Å; V163-L244 HydrophobicContact CG2-CB 3.77Å; V163-L244 HydrophobicContact CG2-CD1 4.47Å; P204-L244 HydrophobicContact CB-CD2 3.78Å; P208-L244 HydrophobicContact CG-CD2 4.2Å; L211-L244 HydrophobicContact CD2-CD1 3.47Å; L211-L244 VanDerWaalsContact CD2-CD1 3.47Å; Y240-L244 HydrophobicContact CD1-CD1 3.98Å; Y240-L244 HydrophobicContact CE1-CD1 3.54Å; Y240-L244 HydrophobicContact CE1-CG 4.46Å; Y240-L244 HydrophobicContact CE2-CD1 4.29Å; Y240-L244 HydrophobicContact CE2-CG 4.42Å; Y240-L244 WeakPolarHBondContact O-CG 3.46Å; Y240-L244 PolarHBondContact O-N 3.31Å; Y240-L244 VanDerWaalsContact O-N 3.1Å; T241-L244 PolarHBondContact O-N 3Å; K242-L244 VanDerWaalsContact C-N 3.32Å; K242-L244 PolarHBondContact O-N 3.08Å; L244-E246 VanDerWaalsContact C-N 3.33Å; L244-E246 PolarHBondContact O-N 3.36Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 3.31Å; L244-V248 PolarHBondContact O-N 3.49Å; L244-V248 VanDerWaalsContact O-N 3.09Å
245A96.3Very high95Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-61.6-41.2177.100000111.8N162 T241 K242 A243 C247 V248 V249N162-A245 WeakPolarHBondContact O-CB 3.29Å; T241-A245 WeakPolarHBondContact O-CB 3.37Å; T241-A245 PolarHBondContact O-N 3.41Å; K242-A245 WeakPolarHBondContact O-CB 3.45Å; K242-A245 PolarHBondContact O-N 2.94Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3Å; A245-C247 VanDerWaalsContact C-N 3.26Å; A245-C247 PolarHBondContact O-N 3.14Å; A245-V248 PolarHBondContact O-N 2.93Å; A245-V249 WeakPolarHBondContact O-CG2 3.28Å; A245-V249 PolarHBondContact O-N 2.86Å
246E97.4Very high95.2Very high1 Ų128.2 Ų28.21%0.00514%0.137CC..Hα-helixtrans-59.9-38.1174.7-65.3176.3178.300112.1S186 I201 K242 A243 L244 V249 Q250 I260 R262S186-E246 WeakPolarHBondContact CB-OE1 3.4Å; S186-E246 WeakPolarHBondContact OG-CG 3.48Å; S186-E246 PolarHBondContact OG-OE1 2.99Å; I201-E246 HydrophobicContact CG2-CB 4.08Å; K242-E246 WeakPolarHBondContact O-CG 3.18Å; K242-E246 PolarHBondContact O-N 3.41Å; K242-E246 VanDerWaalsContact O-N 3.13Å; A243-E246 PolarHBondContact O-N 2.85Å; L244-E246 VanDerWaalsContact C-N 3.33Å; L244-E246 PolarHBondContact O-N 3.36Å; E246-V249 PolarHBondContact O-N 3.04Å; E246-Q250 WeakPolarHBondContact O-CB 3.18Å; E246-Q250 PolarHBondContact O-N 3.1Å; E246-I260 HydrophobicContact CB-CD1 4.07Å; E246-I260 HydrophobicContact CG-CD1 4.15Å; E246-I260 HydrophobicContact CG-CG2 4.19Å; E246-R262 IonicContact OE1-CZ 2.79Å; E246-R262 IonicContact OE1-NE 3.89Å; E246-R262 PolarHBondContact OE1-NE 3.43Å; E246-R262 IonicContact OE1-NH2 3.64Å; E246-R262 IonicContact OE2-CZ 3.58Å; E246-R262 IonicContact OE2-NE 2.77Å; E246-R262 PolarHBondContact OE2-NE 3Å; E246-R262 IonicContact OE2-NH2 3.43Å; E246-R262 PolarHBondContact OE2-NH2 2.73Å
247C96.2Very high95.4Very high3 Ų329.6 Ų29.62%0.0214%0.144CC..Hα-helixtrans-65.8-41.2176.7-57.60000111.7P204 P208 A243 L244 A245 V249 Q250 Q251P204-C247 WeakPolarHBondContact CD-SG 3.13Å; P204-C247 HydrophobicContact CG-CB 4.09Å; P204-C247 VanDerWaalsContact CG-SG 3.6Å; P208-C247 HydrophobicContact CG-CB 4.06Å; A243-C247 PolarHBondContact O-N 2.86Å; A243-C247 PolarHBondContact O-SG 3.04Å; L244-C247 WeakPolarHBondContact O-CB 3.4Å; L244-C247 PolarHBondContact O-N 3.31Å; A245-C247 VanDerWaalsContact C-N 3.26Å; A245-C247 PolarHBondContact O-N 3.14Å; C247-V249 VanDerWaalsContact C-N 3.32Å; C247-Q250 WeakPolarHBondContact O-CB 3.13Å; C247-Q250 PolarHBondContact O-N 3.33Å; C247-Q251 VanDerWaalsContact O-CG 3.31Å; C247-Q251 WeakPolarHBondContact O-CG 3.32Å; C247-Q251 PolarHBondContact O-N 3.44Å
248V96Very high95.6Very high2 Ų229.4 Ų29.41%0.01214%0.143CC..Hα-helixtrans-64.7-37.9175.3173.10000111.2V163 Q167 L170 P208 L244 A245 Q251V163-V248 HydrophobicContact CG1-CG2 3.72Å; Q167-V248 HydrophobicContact CB-CG1 3.76Å; Q167-V248 HydrophobicContact CG-CG1 4Å; L170-V248 HydrophobicContact CD1-CG1 3.86Å; P208-V248 HydrophobicContact CB-CG2 3.72Å; P208-V248 HydrophobicContact CG-CG2 3.96Å; L244-V248 PolarHBondContact O-N 3.49Å; L244-V248 VanDerWaalsContact O-N 3.09Å; A245-V248 PolarHBondContact O-N 2.93Å; V248-Q251 PolarHBondContact O-N 3.06Å
249V96.9Very high95.8Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-65.1-43173.3174.10000111.1T166 L170 H184 A245 E246 C247 Q251 E252 V258 I260T166-V249 HydrophobicContact CG2-CG2 3.81Å; L170-V249 HydrophobicContact CD1-CG2 4.1Å; H184-V249 HydrophobicContact CB-CG1 4.49Å; H184-V249 HydrophobicContact CB-CG2 4.01Å; A245-V249 WeakPolarHBondContact O-CG2 3.28Å; A245-V249 PolarHBondContact O-N 2.86Å; E246-V249 PolarHBondContact O-N 3.04Å; C247-V249 VanDerWaalsContact C-N 3.32Å; V249-Q251 VanDerWaalsContact C-N 3.28Å; V249-Q251 PolarHBondContact O-N 3.22Å; V249-E252 PolarHBondContact O-N 3.06Å; V249-E252 VanDerWaalsContact O-N 3.15Å; V249-V258 HydrophobicContact CG1-CB 3.96Å; V249-V258 HydrophobicContact CG1-CG1 4Å; V249-V258 HydrophobicContact CG1-CG2 4.38Å; V249-I260 HydrophobicContact CB-CD1 4.39Å; V249-I260 HydrophobicContact CG1-CD1 4.15Å; V249-I260 HydrophobicContact CG1-CG1 4.21Å
250Q95.3Very high96Very high64 Ų6428.3 Ų28.330%0.29914%0.139SC..Hα-helixtrans-59.5-38.1177.9-168.4177.837.200112.6I201 E246 C247 E252 Q253I201-Q250 HydrophobicContact CD1-CB 3.62Å; I201-Q250 HydrophobicContact CD1-CG 3.82Å; I201-Q250 HydrophobicContact CG2-CB 4.28Å; E246-Q250 WeakPolarHBondContact O-CB 3.18Å; E246-Q250 PolarHBondContact O-N 3.1Å; C247-Q250 WeakPolarHBondContact O-CB 3.13Å; C247-Q250 PolarHBondContact O-N 3.33Å; Q250-E252 PolarHBondContact O-N 3.47Å; Q250-E252 VanDerWaalsContact O-N 3.14Å; Q250-Q253 WeakPolarHBondContact O-CB 3.37Å; Q250-Q253 WeakPolarHBondContact O-CG 3.37Å; Q250-Q253 PolarHBondContact O-N 2.87Å; Q250-Q253 VanDerWaalsContact O-N 3.12Å
251Q94.5Very high96.2Very high92 Ų9228.2 Ų28.243%0.4314%0.138SC..THydrogen-bonded Turntrans-62-19.6179.6-74.9170.7-11.600113.4C247 V248 V249C247-Q251 VanDerWaalsContact O-CG 3.31Å; C247-Q251 WeakPolarHBondContact O-CG 3.32Å; C247-Q251 PolarHBondContact O-N 3.44Å; V248-Q251 PolarHBondContact O-N 3.06Å; V249-Q251 VanDerWaalsContact C-N 3.28Å; V249-Q251 PolarHBondContact O-N 3.22Å
252E95Very high96.3Very high25 Ų2528.2 Ų28.212%0.11714%0.138CC..THydrogen-bonded Turntrans-104.85.4179.8-56.2-60.9167.200113L170 Q174 V249 Q250 D254 K255 L256L170-E252 HydrophobicContact CB-CG 4.19Å; L170-E252 HydrophobicContact CD1-CG 4.14Å; L170-E252 HydrophobicContact CD2-CB 4.39Å; Q174-E252 PolarHBondContact NE2-OE2 3.27Å; V249-E252 PolarHBondContact O-N 3.06Å; V249-E252 VanDerWaalsContact O-N 3.15Å; Q250-E252 PolarHBondContact O-N 3.47Å; Q250-E252 VanDerWaalsContact O-N 3.14Å; E252-D254 PolarHBondContact O-N 3.08Å; E252-K255 PolarHBondContact O-N 2.86Å; E252-K255 IonicContact OE1-NZ 3.49Å; E252-K255 WeakPolarHBondContact OE2-CD 3.5Å; E252-K255 WeakPolarHBondContact OE2-CE 3.38Å; E252-K255 IonicContact OE2-NZ 2.67Å; E252-K255 PolarHBondContact OE2-NZ 3.37Å; E252-L256 HydrophobicContact CB-CD1 4.42Å; E252-L256 PolarHBondContact O-N 2.88Å
253Q93.3Very high96.4Very high51 Ų5128.3 Ų28.324%0.23814%0.139CC..THydrogen-bonded Turntrans-63.9-25.4-176.276.9-171.9-30.200113.9Q250 K255 L256 V258Q250-Q253 WeakPolarHBondContact O-CB 3.37Å; Q250-Q253 WeakPolarHBondContact O-CG 3.37Å; Q250-Q253 PolarHBondContact O-N 2.87Å; Q250-Q253 VanDerWaalsContact O-N 3.12Å; Q253-K255 PolarHBondContact O-N 3.33Å; Q253-L256 CarbonylContact C-O 3.56Å; Q253-L256 VanDerWaalsContact O-O 3.04Å; Q253-V258 HydrophobicContact CB-CG2 3.67Å
254D93.2Very high96.5Very high146 Ų14628.1 Ų28.178%0.78114%0.138SC*.THydrogen-bonded Turntrans-76.1-16.8177.6-61.8-34.4000112.3E252E252-D254 PolarHBondContact O-N 3.08Å
255K95.1Very high96.4Very high133 Ų13329.7 Ų29.758%0.57815%0.146SC*.THydrogen-bonded Turntrans-108.1-26.6-178.2-56-179.5-160.7150.40112.5Q174 E252 Q253Q174-K255 HydrophobicContact CG-CD 4.49Å; Q174-K255 VanDerWaalsContact OE1-CD 3.25Å; E252-K255 PolarHBondContact O-N 2.86Å; E252-K255 IonicContact OE1-NZ 3.49Å; E252-K255 WeakPolarHBondContact OE2-CD 3.5Å; E252-K255 WeakPolarHBondContact OE2-CE 3.38Å; E252-K255 IonicContact OE2-NZ 2.67Å; E252-K255 PolarHBondContact OE2-NZ 3.37Å; Q253-K255 PolarHBondContact O-N 3.33Å
256L96.7Very high96.4Very high14 Ų1431.3 Ų31.37%0.07316%0.155CC..SBendtrans-131.1139-173.9-63-179.5000110.3L170 A173 Q174 L179 E252 Q253 V258L170-L256 HydrophobicContact CD2-CD1 3.86Å; A173-L256 HydrophobicContact CB-CD1 4.04Å; Q174-L256 HydrophobicContact CG-CD1 4.05Å; Q174-L256 HydrophobicContact CG-CD2 4.08Å; Q174-L256 HydrophobicContact CG-CG 4.04Å; L179-L256 HydrophobicContact CD2-CD2 3.73Å; E252-L256 HydrophobicContact CB-CD1 4.42Å; E252-L256 PolarHBondContact O-N 2.88Å; Q253-L256 CarbonylContact C-O 3.56Å; Q253-L256 VanDerWaalsContact O-O 3.04Å; L256-V258 HydrophobicContact CB-CG1 3.94Å; L256-V258 PolarHBondContact O-N 2.84Å
257N97.1Very high96.4Very high40 Ų4031.2 Ų31.221%0.21416%0.155CC..  trans-72.9110.6167.2-59.5-32.6000109E180 A181 F182 T326 R330E180-N257 WeakPolarHBondContact O-CB 3.21Å; E180-N257 PolarHBondContact O-ND2 3.28Å; A181-N257 WeakPolarHBondContact CA-O 3.05Å; F182-N257 PolarHBondContact N-O 2.82Å; N257-T326 HydrophobicContact CB-CG2 3.96Å; N257-R330 WeakPolarHBondContact ND2-CD 3.41Å; N257-R330 WeakPolarHBondContact ND2-CG 3.45Å; N257-R330 PolarHBondContact ND2-NE 3.05Å
258V97.9Very high96.5Very high7 Ų731.1 Ų31.14%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-117.3144-172.5-68.90000112.3F182 V249 Q253 L256 A334F182-V258 HydrophobicContact CB-CG1 4.21Å; F182-V258 HydrophobicContact CD1-CG1 4.43Å; F182-V258 VanDerWaalsContact O-CA 3.29Å; F182-V258 WeakPolarHBondContact O-CA 3.28Å; V249-V258 HydrophobicContact CG1-CB 3.96Å; V249-V258 HydrophobicContact CG1-CG1 4Å; V249-V258 HydrophobicContact CG1-CG2 4.38Å; Q253-V258 HydrophobicContact CB-CG2 3.67Å; L256-V258 HydrophobicContact CB-CG1 3.94Å; L256-V258 PolarHBondContact O-N 2.84Å; V258-A334 HydrophobicContact CG2-CB 3.5Å; V258-A334 VanDerWaalsContact CG2-CB 3.5Å
259G98.3Very high96.5Very high0 Ų031 Ų310%015%0.154CC..EExtended strand (participates in β ladder)trans-134148.216900000111.1F182 I183 H184 L335F182-G259 PolarHBondContact O-N 3.44Å; I183-G259 CarbonylContact C-O 3.18Å; I183-G259 WeakPolarHBondContact CA-O 3.31Å; H184-G259 PolarHBondContact N-O 2.66Å; G259-L335 WeakPolarHBondContact CA-O 3.37Å
260I98.8Very high96.6Very high0 Ų032.4 Ų32.40%016%0.159CC..EExtended strand (participates in β ladder)trans-123.8124-178.2-57.8-177.6000109.8H184 I201 E246 V249 R262 L335 V336 Y337H184-I260 HydrophobicContact CB-CG1 4.38Å; H184-I260 WeakPolarHBondContact O-CA 3.41Å; I201-I260 HydrophobicContact CD1-CD1 3.47Å; I201-I260 VanDerWaalsContact CD1-CD1 3.47Å; I201-I260 HydrophobicContact CG1-CD1 3.95Å; E246-I260 HydrophobicContact CB-CD1 4.07Å; E246-I260 HydrophobicContact CG-CD1 4.15Å; E246-I260 HydrophobicContact CG-CG2 4.19Å; V249-I260 HydrophobicContact CB-CD1 4.39Å; V249-I260 HydrophobicContact CG1-CD1 4.15Å; V249-I260 HydrophobicContact CG1-CG1 4.21Å; I260-R262 HydrophobicContact CG2-CG 4.33Å; I260-L335 PolarHBondContact N-O 2.73Å; I260-V336 HydrophobicContact CB-CG1 4.38Å; I260-V336 HydrophobicContact CB-CG2 4.25Å; I260-V336 HydrophobicContact CD1-CG2 4.47Å; I260-V336 HydrophobicContact CG2-CG1 4.34Å; I260-V336 CarbonylContact O-C 3.54Å; I260-V336 WeakPolarHBondContact O-CA 3.2Å; I260-Y337 PolarHBondContact O-N 2.64Å
261I98.8Very high96.6Very high0 Ų033.1 Ų33.10%016%0.162CC..EExtended strand (participates in β ladder)trans-104.2125.8174.3-46.2-57.1000109I183 H184 I185 S186 P263 V315 L318 A322 Y337 C339I183-I261 HydrophobicContact CG2-CD1 4.47Å; I183-I261 HydrophobicContact CG2-CG1 3.84Å; H184-I261 PolarHBondContact O-N 3.19Å; I185-I261 HydrophobicContact CD1-CB 3.81Å; I185-I261 HydrophobicContact CD1-CG1 3.92Å; S186-I261 PolarHBondContact N-O 2.93Å; I261-P263 VanDerWaalsContact C-CD 3.49Å; I261-P263 WeakPolarHBondContact O-CD 3.44Å; I261-V315 HydrophobicContact CG2-CG1 4.33Å; I261-L318 HydrophobicContact CD1-CG 4.33Å; I261-L318 HydrophobicContact CG2-CD2 3.89Å; I261-L318 HydrophobicContact CG2-CG 4.48Å; I261-A322 HydrophobicContact CD1-CB 3.62Å; I261-Y337 HydrophobicContact CD1-CD2 3.56Å; I261-Y337 HydrophobicContact CD1-CE2 4.35Å; I261-Y337 HydrophobicContact CD1-CG 4.03Å; I261-C339 HydrophobicContact CG2-CB 4.23Å
262R98.4Very high96.4Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-111.883.3178.8-77.8-178.7178.6156.25.3110.3T187 D198 I200 E246 I260 V336 Y337 N338 C339T187-R262 WeakPolarHBondContact O-CG 3.47Å; D198-R262 PolarHBondContact O-NH1 3.24Å; I200-R262 PolarHBondContact O-NH1 3.05Å; I200-R262 PolarHBondContact O-NH2 3.12Å; E246-R262 IonicContact OE1-CZ 2.79Å; E246-R262 IonicContact OE1-NE 3.89Å; E246-R262 PolarHBondContact OE1-NE 3.43Å; E246-R262 IonicContact OE1-NH2 3.64Å; E246-R262 IonicContact OE2-CZ 3.58Å; E246-R262 IonicContact OE2-NE 2.77Å; E246-R262 PolarHBondContact OE2-NE 3Å; E246-R262 IonicContact OE2-NH2 3.43Å; E246-R262 PolarHBondContact OE2-NH2 2.73Å; I260-R262 HydrophobicContact CG2-CG 4.33Å; R262-V336 HydrophobicContact CG-CG1 4.11Å; R262-Y337 PolarHBondContact N-O 3.33Å; R262-N338 WeakPolarHBondContact CD-OD1 3.3Å; R262-C339 PolarHBondContact O-N 3.4Å
263P97.9Very high96Very high6 Ų629.9 Ų29.94%0.03915%0.148CC..EExtended strand (participates in β ladder)trans-69.7144.4172.229.2-34.4000112.3M56 I185 S186 T187 A188 I261 V266 I310 V315 C339M56-P263 HydrophobicContact CE-CG 4.5Å; I185-P263 HydrophobicContact CG2-CG 4.09Å; S186-P263 WeakPolarHBondContact O-CD 3.43Å; T187-P263 CarbonylContact C-O 3.22Å; T187-P263 WeakPolarHBondContact CA-O 3.5Å; T187-P263 PolarHBondContact OG1-O 2.74Å; A188-P263 PolarHBondContact N-O 2.74Å; I261-P263 VanDerWaalsContact C-CD 3.49Å; I261-P263 WeakPolarHBondContact O-CD 3.44Å; P263-V266 HydrophobicContact CB-CG2 3.8Å; P263-V266 HydrophobicContact CG-CG2 4.36Å; P263-I310 HydrophobicContact CB-CG2 4.37Å; P263-V315 HydrophobicContact CB-CG1 3.88Å; P263-V315 HydrophobicContact CB-CG2 3.93Å; P263-V315 HydrophobicContact CG-CG1 4.29Å; P263-C339 WeakPolarHBondContact CA-O 3.49Å
264S96.4Very high95.9Very high6 Ų629.9 Ų29.94%0.04215%0.148CC..  trans-76.8-147.2164.767.70000111.3V266 D308 I310 C339S264-V266 PolarHBondContact O-N 3.27Å; S264-D308 WeakPolarHBondContact CB-O 3.38Å; S264-D308 PolarHBondContact OG-O 3.42Å; S264-I310 WeakPolarHBondContact OG-CG2 3.3Å; S264-C339 PolarHBondContact N-O 3.18Å; S264-C339 VanDerWaalsContact N-O 3.07Å
265I95.3Very high96.1Very high34 Ų3426.1 Ų26.117%0.17413%0.131CC..EExtended strand (participates in β ladder)trans-70.1106-179.4-56.6172.9000108.5Y189 G267 P284 D308 L309 I310 W349Y189-I265 HydrophobicContact CE2-CG1 3.77Å; Y189-I265 WeakPolarHBondContact OH-CG1 3.42Å; I265-G267 PolarHBondContact O-N 3.21Å; I265-P284 HydrophobicContact CG2-CG 3.39Å; I265-D308 WeakPolarHBondContact CB-O 3.45Å; I265-D308 PolarHBondContact N-O 2.79Å; I265-L309 HydrophobicContact CB-CD1 4.38Å; I265-L309 HydrophobicContact CG2-CD1 4.01Å; I265-L309 CarbonylContact O-C 3.5Å; I265-L309 WeakPolarHBondContact O-CA 3.35Å; I265-L309 WeakPolarHBondContact O-CD1 3.44Å; I265-I310 PolarHBondContact O-N 3.24Å; I265-W349 HydrophobicContact CD1-CH2 4.34Å; I265-W349 HydrophobicContact CD1-CZ2 4.27Å
266V96.6Very high96.2Very high33 Ų3319.8 Ų19.820%0.210%0.104CC..EExtended strand (participates in β ladder)trans-75.5121.5-178.8-1690000110.8F55 M56 P263 S264 I310 V312 V315F55-V266 HydrophobicContact CE1-CG1 3.89Å; M56-V266 HydrophobicContact CG-CG1 4.41Å; M56-V266 HydrophobicContact SD-CG2 4.11Å; P263-V266 HydrophobicContact CB-CG2 3.8Å; P263-V266 HydrophobicContact CG-CG2 4.36Å; S264-V266 PolarHBondContact O-N 3.27Å; V266-I310 CarbonylContact C-O 3.58Å; V266-I310 VanDerWaalsContact CA-O 3.32Å; V266-I310 WeakPolarHBondContact CA-O 3.49Å; V266-I310 HydrophobicContact CB-CG2 4.46Å; V266-I310 HydrophobicContact CG2-CG2 4.03Å; V266-V312 HydrophobicContact CG1-CB 3.7Å; V266-V312 HydrophobicContact CG1-CG2 4.01Å; V266-V315 HydrophobicContact CG2-CG2 4.35Å
267G96.6Very high96.2Very high0 Ų019.3 Ų19.30%010%0.101CC..EExtended strand (participates in β ladder)trans-104.9-165.5177.900000113.7F55 I265 I310 V312F55-G267 WeakPolarHBondContact CE1-O 3.22Å; F55-G267 WeakPolarHBondContact CZ-O 3.17Å; I265-G267 PolarHBondContact O-N 3.21Å; G267-I310 PolarHBondContact N-O 2.76Å; G267-V312 PolarHBondContact O-N 3.36Å
268A97.6Very high96.1Very high0 Ų017.4 Ų17.40%09%0.091CC..SBendtrans-62.1162.5174.100000112.2W277 I278 P311 Y467 Y471A268-W277 VanDerWaalsContact CA-O 3.31Å; A268-W277 WeakPolarHBondContact CA-O 3.41Å; A268-W277 WeakPolarHBondContact CB-O 3.34Å; A268-I278 HydrophobicContact CB-CB 3.96Å; A268-I278 HydrophobicContact CB-CG2 4.25Å; A268-P311 WeakPolarHBondContact O-CA 3.47Å; A268-Y467 PolarHBondContact N-OH 2.88Å; A268-Y467 WeakPolarHBondContact O-CE2 3.4Å; A268-Y467 PolarHBondContact O-OH 3.31Å; A268-Y471 HydrophobicContact CB-CD1 4.09Å; A268-Y471 HydrophobicContact CB-CD2 3.41Å; A268-Y471 VanDerWaalsContact CB-CD2 3.41Å; A268-Y471 HydrophobicContact CB-CE1 4.37Å; A268-Y471 HydrophobicContact CB-CE2 3.77Å; A268-Y471 HydrophobicContact CB-CG 3.62Å
269S97.6Very high95.9Very high0 Ų019.4 Ų19.40%010%0.101CC..  trans-61.2143.1173.3530000111.6E272 F274 G276 W277 D313S269-E272 WeakPolarHBondContact CB-O 3.23Å; S269-F274 PolarHBondContact OG-O 3.4Å; S269-G276 PolarHBondContact O-N 3.09Å; S269-G276 PolarHBondContact OG-N 3.19Å; S269-W277 PolarHBondContact N-O 3.48Å; S269-W277 WeakPolarHBondContact OG-CA 3.46Å; S269-W277 VanDerWaalsContact OG-CB 3.26Å; S269-W277 WeakPolarHBondContact OG-CB 3.49Å; S269-W277 PolarHBondContact OG-N 2.8Å; S269-D313 WeakPolarHBondContact CA-OD1 3.44Å
270W97.9Very high95.5Very high30 Ų3020.5 Ų20.511%0.11411%0.107CC..SBendtrans-85.2-53.3173.217230.6000111P275 P311 D313 V314 Q461 L462 Y467W270-P275 WeakPolarHBondContact O-CA 3.41Å; W270-P275 WeakPolarHBondContact O-CB 3.39Å; W270-P311 HydrophobicContact CB-CB 3.64Å; W270-P311 HydrophobicContact CB-CG 3.72Å; W270-D313 PolarHBondContact N-OD1 3.12Å; W270-D313 PolarHBondContact N-OD2 2.85Å; W270-V314 HydrophobicContact CE3-CG2 4.07Å; W270-Q461 HydrophobicContact CH2-CB 3.64Å; W270-Q461 HydrophobicContact CZ2-CB 4.31Å; W270-Q461 WeakPolarHBondContact CZ2-O 3.31Å; W270-L462 HydrophobicContact CB-CD1 4.1Å; W270-L462 VanDerWaalsContact CD1-CD1 3.42Å; W270-L462 HydrophobicContact CD2-CD1 3.41Å; W270-L462 VanDerWaalsContact CD2-CD1 3.41Å; W270-L462 HydrophobicContact CE3-CD1 4.1Å; W270-L462 HydrophobicContact CG-CD1 3.38Å; W270-L462 HydrophobicContact CZ2-CB 4.37Å; W270-L462 HydrophobicContact CZ2-CD1 4.3Å; W270-Y467 HydrophobicContact CB-CD2 4Å; W270-Y467 HydrophobicContact CB-CE2 4.04Å; W270-Y467 HydrophobicContact CG-CD2 4.34Å
271Q94.9Very high95.1Very high79 Ų7926 Ų2637%0.36913%0.132SC..SBendtrans-117.4-47.7-176.8-59.1-174.71.100111.7F274 P275 D313Q271-F274 CarbonylContact O-C 3.42Å; Q271-F274 VanDerWaalsContact O-C 3.32Å; Q271-F274 WeakPolarHBondContact O-CA 3.37Å; Q271-F274 PolarHBondContact O-N 2.55Å; Q271-P275 WeakPolarHBondContact O-CD 3.31Å; Q271-D313 PolarHBondContact N-OD2 3.03Å
272E91.9Very high94.5Very high35 Ų3530.4 Ų30.416%0.16416%0.155CC..SBendtrans-121.3146.7-164.8-65.6-164.5138.200114.6K63 R66 S269 D313K63-E272 IonicContact NZ-OE1 2.65Å; K63-E272 IonicContact NZ-OE2 3.97Å; K63-E272 PolarHBondContact NZ-OE2 3.31Å; R66-E272 IonicContact CZ-OE1 2.82Å; R66-E272 IonicContact CZ-OE2 3.08Å; R66-E272 IonicContact NH1-OE1 2.66Å; R66-E272 PolarHBondContact NH1-OE1 3.33Å; R66-E272 IonicContact NH1-OE2 2.86Å; R66-E272 PolarHBondContact NH1-OE2 3.48Å; R66-E272 IonicContact NH2-OE1 3.53Å; R66-E272 PolarHBondContact NH2-OE1 3.36Å; R66-E272 IonicContact NH2-OE2 3.87Å; R66-E272 PolarHBondContact NH2-OE2 3.37Å; S269-E272 WeakPolarHBondContact CB-O 3.23Å; E272-D313 HydrophobicContact CB-CB 4.34Å; E272-D313 PolarHBondContact N-OD2 3.18Å; E272-D313 WeakPolarHBondContact O-CB 3.49Å
273P84.9Confident93.8Very high13 Ų1332 Ų328%0.08417%0.171CC..SBendcis-70.1-15.3-5.128.5-34.8000113.8L98L98-P273 VanDerWaalsContact CD1-CD 3.47Å; L98-P273 HydrophobicContact CD1-CG 3.23Å; L98-P273 HydrophobicContact CG-CG 4.07Å
274F92.9Very high93.5Very high52 Ų5232.4 Ų32.423%0.22817%0.174CC..SBendtrans-158.1156.3165.742.6-96.9000109.5K97 S269 Q271 W277 Y478K97-F274 HydrophobicContact CB-CZ 4.38Å; S269-F274 PolarHBondContact OG-O 3.4Å; Q271-F274 CarbonylContact O-C 3.42Å; Q271-F274 VanDerWaalsContact O-C 3.32Å; Q271-F274 WeakPolarHBondContact O-CA 3.37Å; Q271-F274 PolarHBondContact O-N 2.55Å; F274-W277 HydrophobicContact CD2-CB 3.87Å; F274-W277 HydrophobicContact CE2-CB 3.48Å; F274-W277 VanDerWaalsContact CE2-CB 3.48Å; F274-W277 AromaticContact CE2-CD1 3.37Å; F274-W277 AromaticContact CE2-CG 3.73Å; F274-W277 HydrophobicContact CE2-CG 3.73Å; F274-W277 HydrophobicContact CZ-CB 4.15Å; F274-W277 AromaticContact CZ-CD1 3.34Å; F274-W277 AromaticContact CZ-CG 3.95Å; F274-W277 HydrophobicContact CZ-CG 3.95Å; F274-Y478 HydrophobicContact CD2-CE2 4.22Å; F274-Y478 AromaticContact CD2-CZ 3.87Å; F274-Y478 WeakPolarHBondContact CD2-OH 3.48Å; F274-Y478 AromaticContact CE2-CE1 3.74Å; F274-Y478 HydrophobicContact CE2-CE1 3.74Å; F274-Y478 AromaticContact CE2-CE2 3.71Å; F274-Y478 HydrophobicContact CE2-CE2 3.71Å; F274-Y478 AromaticContact CE2-CZ 3.25Å; F274-Y478 WeakPolarHBondContact CE2-OH 3.39Å; F274-Y478 HydrophobicContact CZ-CE1 4.21Å
275P96.6Very high93.4Very high66 Ų6632.1 Ų32.143%0.42917%0.172SC..THydrogen-bonded Turntrans-59.5138.8-176.7-26.735.6000113.9W270 Q271 W277 N470W270-P275 WeakPolarHBondContact O-CA 3.41Å; W270-P275 WeakPolarHBondContact O-CB 3.39Å; Q271-P275 WeakPolarHBondContact O-CD 3.31Å; P275-W277 VanDerWaalsContact C-N 3.32Å; P275-W277 PolarHBondContact O-N 3.13Å; P275-N470 HydrophobicContact CB-CB 4.3Å
276G96.6Very high93.4Very high1 Ų131.5 Ų31.51%0.0117%0.174CC..THydrogen-bonded Turntrans75.710.7174.400000115S269 I278 N470 G474 Y478S269-G276 PolarHBondContact O-N 3.09Å; S269-G276 PolarHBondContact OG-N 3.19Å; G276-I278 PolarHBondContact O-N 2.88Å; G276-N470 WeakPolarHBondContact CA-O 3.4Å; G276-G474 WeakPolarHBondContact O-CA 3.18Å; G276-Y478 WeakPolarHBondContact O-CD2 3.1Å
277W97Very high93.3Very high3 Ų331.1 Ų31.11%0.01117%0.172CC..  trans-65.2129175.4-17577.9000111.3F55 K58 V59 L98 A268 S269 F274 P275 D279F55-W277 HydrophobicContact CD2-CE3 4.41Å; F55-W277 AromaticContact CD2-CH2 3.91Å; F55-W277 HydrophobicContact CD2-CH2 3.91Å; F55-W277 AromaticContact CD2-CZ3 3.51Å; F55-W277 HydrophobicContact CD2-CZ3 3.51Å; F55-W277 AromaticContact CE2-CE3 3.74Å; F55-W277 HydrophobicContact CE2-CE3 3.74Å; F55-W277 HydrophobicContact CE2-CH2 4.08Å; F55-W277 AromaticContact CE2-CZ3 3.26Å; F55-W277 HydrophobicContact CE2-CZ3 3.26Å; F55-W277 HydrophobicContact CZ-CZ3 4.41Å; K58-W277 HydrophobicContact CB-CH2 4.39Å; K58-W277 HydrophobicContact CD-CH2 4.47Å; V59-W277 HydrophobicContact CG2-CE3 3.87Å; V59-W277 HydrophobicContact CG2-CH2 4.06Å; V59-W277 HydrophobicContact CG2-CZ3 3.25Å; L98-W277 HydrophobicContact CB-CH2 4.47Å; L98-W277 HydrophobicContact CB-CZ2 3.7Å; L98-W277 HydrophobicContact CD1-CD2 3.42Å; L98-W277 VanDerWaalsContact CD1-CD2 3.42Å; L98-W277 VanDerWaalsContact CD1-CE2 3.46Å; L98-W277 HydrophobicContact CD1-CE3 3.55Å; L98-W277 HydrophobicContact CD1-CG 4.1Å; L98-W277 HydrophobicContact CD1-CH2 3.75Å; L98-W277 HydrophobicContact CD1-CZ2 3.63Å; L98-W277 HydrophobicContact CD1-CZ3 3.72Å; L98-W277 HydrophobicContact CD2-CH2 3.78Å; L98-W277 HydrophobicContact CD2-CZ2 3.83Å; L98-W277 HydrophobicContact CD2-CZ3 4.37Å; L98-W277 HydrophobicContact CG-CD2 4.49Å; L98-W277 HydrophobicContact CG-CH2 4.22Å; L98-W277 HydrophobicContact CG-CZ2 3.92Å; A268-W277 VanDerWaalsContact CA-O 3.31Å; A268-W277 WeakPolarHBondContact CA-O 3.41Å; A268-W277 WeakPolarHBondContact CB-O 3.34Å; S269-W277 PolarHBondContact N-O 3.48Å; S269-W277 WeakPolarHBondContact OG-CA 3.46Å; S269-W277 VanDerWaalsContact OG-CB 3.26Å; S269-W277 WeakPolarHBondContact OG-CB 3.49Å; S269-W277 PolarHBondContact OG-N 2.8Å; F274-W277 HydrophobicContact CD2-CB 3.87Å; F274-W277 HydrophobicContact CE2-CB 3.48Å; F274-W277 VanDerWaalsContact CE2-CB 3.48Å; F274-W277 AromaticContact CE2-CD1 3.37Å; F274-W277 AromaticContact CE2-CG 3.73Å; F274-W277 HydrophobicContact CE2-CG 3.73Å; F274-W277 HydrophobicContact CZ-CB 4.15Å; F274-W277 AromaticContact CZ-CD1 3.34Å; F274-W277 AromaticContact CZ-CG 3.95Å; F274-W277 HydrophobicContact CZ-CG 3.95Å; P275-W277 VanDerWaalsContact C-N 3.32Å; P275-W277 PolarHBondContact O-N 3.13Å; W277-D279 HydrophobicContact CH2-CB 4.32Å; W277-D279 HydrophobicContact CZ2-CB 3.95Å
278I95.4Very high93.3Very high1 Ų131.5 Ų31.51%0.00517%0.174CC..  trans-160.5140.5178.7-178.565.3000108.3F55 A268 G276 N280 S285 Y471 T475 Y478 V479F55-I278 HydrophobicContact CD1-CD1 4.41Å; F55-I278 HydrophobicContact CD2-CD1 4.12Å; F55-I278 HydrophobicContact CE1-CD1 3.81Å; F55-I278 HydrophobicContact CE2-CD1 3.48Å; F55-I278 VanDerWaalsContact CE2-CD1 3.48Å; F55-I278 HydrophobicContact CZ-CD1 3.31Å; A268-I278 HydrophobicContact CB-CB 3.96Å; A268-I278 HydrophobicContact CB-CG2 4.25Å; G276-I278 PolarHBondContact O-N 2.88Å; I278-N280 WeakPolarHBondContact CD1-ND2 3.35Å; I278-S285 WeakPolarHBondContact CG1-OG 3.4Å; I278-Y471 HydrophobicContact CB-CE2 4.47Å; I278-Y471 HydrophobicContact CG1-CE2 4.27Å; I278-Y471 HydrophobicContact CG2-CD2 4.39Å; I278-Y471 HydrophobicContact CG2-CE2 4.22Å; I278-T475 HydrophobicContact CG2-CG2 4.33Å; I278-Y478 WeakPolarHBondContact O-CB 3.39Å; I278-V479 HydrophobicContact CB-CG2 4.49Å; I278-V479 HydrophobicContact CG1-CG2 4.26Å; I278-V479 HydrophobicContact CG2-CG2 3.85Å; I278-V479 WeakPolarHBondContact O-CG2 3.37Å
279D92.4Very high93.2Very high48 Ų4832.1 Ų32.126%0.25718%0.177SC..  trans-126.612-172.576.7-21000114.1F55 K58 W277F55-D279 VanDerWaalsContact CD2-OD1 3.27Å; F55-D279 WeakPolarHBondContact CD2-OD1 3.33Å; K58-D279 IonicContact NZ-OD2 3.39Å; K58-D279 PolarHBondContact NZ-OD2 3.14Å; W277-D279 HydrophobicContact CH2-CB 4.32Å; W277-D279 HydrophobicContact CZ2-CB 3.95Å
280N91.2Very high93.1Very high24 Ų2432.7 Ų32.713%0.12818%0.181CC..  trans-142.4161.1-173.565.979.5000112.9F55 I278 N282 S285F55-N280 WeakPolarHBondContact CB-ND2 3.47Å; F55-N280 WeakPolarHBondContact CD2-ND2 3.5Å; F55-N280 WeakPolarHBondContact CG-ND2 3.22Å; I278-N280 WeakPolarHBondContact CD1-ND2 3.35Å; N280-N282 WeakPolarHBondContact OD1-CB 3.48Å; N280-N282 PolarHBondContact OD1-N 2.93Å; N280-N282 VanDerWaalsContact OD1-N 3.09Å; N280-S285 WeakPolarHBondContact O-CB 3.42Å; N280-S285 PolarHBondContact O-OG 3.05Å
281F89.5Confident93Very high116 Ų11631.5 Ų31.551%0.50918%0.178SC..  trans-93.66.5177.3-68.5-91.6000113G286 I289 V479 L480F281-G286 VanDerWaalsContact O-CA 3.31Å; F281-G286 WeakPolarHBondContact O-CA 3.45Å; F281-G286 PolarHBondContact O-N 3.15Å; F281-I289 HydrophobicContact CD1-CD1 3.72Å; F281-I289 HydrophobicContact CE1-CD1 3.66Å; F281-V479 HydrophobicContact CD1-CG1 3.75Å; F281-V479 HydrophobicContact CD2-CG1 3.78Å; F281-V479 HydrophobicContact CE1-CG1 3.47Å; F281-V479 VanDerWaalsContact CE1-CG1 3.47Å; F281-V479 HydrophobicContact CE2-CG1 3.48Å; F281-V479 VanDerWaalsContact CE2-CG1 3.48Å; F281-V479 HydrophobicContact CG-CG1 3.91Å; F281-V479 HydrophobicContact CZ-CG1 3.32Å; F281-L480 HydrophobicContact CE1-CD2 4.06Å; F281-L480 HydrophobicContact CZ-CD2 4.24Å
282N86.3Confident93.1Very high91 Ų9127.7 Ų27.749%0.48716%0.16SC..THydrogen-bonded Turntrans-74.8149.3-172-59.6-31.6000110.7N280 S285N280-N282 WeakPolarHBondContact OD1-CB 3.48Å; N280-N282 PolarHBondContact OD1-N 2.93Å; N280-N282 VanDerWaalsContact OD1-N 3.09Å; N282-S285 PolarHBondContact O-N 2.75Å
283G85.2Confident93.3Very high34 Ų3427.6 Ų27.635%0.35116%0.159SC..THydrogen-bonded Turntrans57-129.7174.100000113.4S285 G286G283-S285 VanDerWaalsContact C-N 3.31Å; G283-S285 PolarHBondContact O-N 3.36Å; G283-G286 PolarHBondContact O-N 3.18Å
284P91.2Very high93.8Very high15 Ų1527 Ų2710%0.09716%0.155CC..Hα-helixtrans-59.2-35.1-176-23.432.7000114.4I265 G286 V287 F288 L309 Y471I265-P284 HydrophobicContact CG2-CG 3.39Å; P284-G286 VanDerWaalsContact C-N 3.34Å; P284-G286 PolarHBondContact O-N 3.43Å; P284-V287 PolarHBondContact O-N 3Å; P284-V287 VanDerWaalsContact O-N 3.11Å; P284-F288 HydrophobicContact CB-CE1 4.28Å; P284-F288 HydrophobicContact CB-CE2 4.28Å; P284-F288 HydrophobicContact CB-CZ 4.06Å; P284-F288 WeakPolarHBondContact O-CB 3.38Å; P284-F288 WeakPolarHBondContact O-CD1 3.49Å; P284-F288 VanDerWaalsContact O-CG 3.3Å; P284-F288 WeakPolarHBondContact O-CG 3.33Å; P284-F288 PolarHBondContact O-N 2.86Å; P284-L309 HydrophobicContact CG-CD1 3.89Å; P284-Y471 HydrophobicContact CB-CE1 4.34Å
285S94.3Very high93.9Very high0 Ų026.4 Ų26.40%015%0.154CC..Hα-helixtrans-56.5-46.5-177.6-54.90000112.2I278 N280 N282 G283 F288 I289 Y471I278-S285 WeakPolarHBondContact CG1-OG 3.4Å; N280-S285 WeakPolarHBondContact O-CB 3.42Å; N280-S285 PolarHBondContact O-OG 3.05Å; N282-S285 PolarHBondContact O-N 2.75Å; G283-S285 VanDerWaalsContact C-N 3.31Å; G283-S285 PolarHBondContact O-N 3.36Å; S285-F288 PolarHBondContact O-N 3.36Å; S285-I289 WeakPolarHBondContact O-CB 3.44Å; S285-I289 WeakPolarHBondContact O-CD1 3.22Å; S285-I289 VanDerWaalsContact O-CG1 3.25Å; S285-I289 WeakPolarHBondContact O-CG1 3.14Å; S285-I289 PolarHBondContact O-N 3.38Å; S285-Y471 PolarHBondContact N-OH 2.89Å; S285-Y471 WeakPolarHBondContact OG-CE2 3.44Å; S285-Y471 PolarHBondContact OG-OH 2.98Å
286G94.3Very high93.8Very high21 Ų2123.4 Ų23.422%0.21613%0.134CC..Hα-helixtrans-66.2-38.5178.200000112.7F281 G283 P284 A290F281-G286 VanDerWaalsContact O-CA 3.31Å; F281-G286 WeakPolarHBondContact O-CA 3.45Å; F281-G286 PolarHBondContact O-N 3.15Å; G283-G286 PolarHBondContact O-N 3.18Å; P284-G286 VanDerWaalsContact C-N 3.34Å; P284-G286 PolarHBondContact O-N 3.43Å; G286-A290 VanDerWaalsContact O-CB 3.3Å; G286-A290 WeakPolarHBondContact O-CB 3.44Å; G286-A290 PolarHBondContact O-N 2.94Å
287V94.4Very high93.7Very high25 Ų2525.2 Ų25.215%0.15214%0.141CC..Hα-helixtrans-65.9-46.2177.1178.20000110.6P284 A290 A291 L296 M299 L425P284-V287 PolarHBondContact O-N 3Å; P284-V287 VanDerWaalsContact O-N 3.11Å; V287-A290 PolarHBondContact O-N 2.96Å; V287-A291 WeakPolarHBondContact O-CB 3.21Å; V287-A291 PolarHBondContact O-N 3.4Å; V287-L296 HydrophobicContact CG1-CD2 3.78Å; V287-M299 HydrophobicContact CG1-SD 4.04Å; V287-L425 HydrophobicContact CG2-CD1 3.9Å
288F96.3Very high93.6Very high8 Ų825.2 Ų25.24%0.03514%0.141CC..Hα-helixtrans-62.2-47.1178.4-67.6-1.6000111P284 S285 A290 A291 G292 I352 V356 F360 I468 Y471P284-F288 HydrophobicContact CB-CE1 4.28Å; P284-F288 HydrophobicContact CB-CE2 4.28Å; P284-F288 HydrophobicContact CB-CZ 4.06Å; P284-F288 WeakPolarHBondContact O-CB 3.38Å; P284-F288 WeakPolarHBondContact O-CD1 3.49Å; P284-F288 VanDerWaalsContact O-CG 3.3Å; P284-F288 WeakPolarHBondContact O-CG 3.33Å; P284-F288 PolarHBondContact O-N 2.86Å; S285-F288 PolarHBondContact O-N 3.36Å; F288-A290 PolarHBondContact O-N 3.48Å; F288-A291 PolarHBondContact O-N 3.18Å; F288-G292 PolarHBondContact O-N 3.4Å; F288-I352 HydrophobicContact CE1-CG2 3.76Å; F288-I352 HydrophobicContact CZ-CG2 4.01Å; F288-V356 HydrophobicContact CB-CG1 4.29Å; F288-V356 HydrophobicContact CD1-CG1 4.05Å; F288-V356 HydrophobicContact CD1-CG2 3.84Å; F288-V356 HydrophobicContact CD2-CG2 4.24Å; F288-V356 HydrophobicContact CE1-CG2 3.64Å; F288-V356 HydrophobicContact CE2-CG2 4.04Å; F288-V356 HydrophobicContact CG-CG1 4.13Å; F288-V356 HydrophobicContact CG-CG2 4.15Å; F288-V356 HydrophobicContact CZ-CG2 3.74Å; F288-F360 HydrophobicContact CB-CE2 4.15Å; F288-F360 HydrophobicContact CB-CZ 4.36Å; F288-F360 WeakPolarHBondContact O-CE2 3.4Å; F288-I468 HydrophobicContact CE2-CD1 4.43Å; F288-I468 HydrophobicContact CZ-CD1 4.46Å; F288-Y471 HydrophobicContact CD2-CD1 4.34Å; F288-Y471 HydrophobicContact CD2-CD2 4.48Å; F288-Y471 HydrophobicContact CD2-CE1 4.34Å; F288-Y471 HydrophobicContact CD2-CE2 4.47Å; F288-Y471 HydrophobicContact CD2-CG 4.4Å; F288-Y471 AromaticContact CE2-CD1 3.75Å; F288-Y471 HydrophobicContact CE2-CD1 3.75Å; F288-Y471 AromaticContact CE2-CE1 3.8Å; F288-Y471 HydrophobicContact CE2-CE1 3.8Å; F288-Y471 HydrophobicContact CE2-CG 4.2Å
289I96.4Very high93.6Very high13 Ų1325.8 Ų25.87%0.06714%0.144CC..Hα-helixtrans-60-45.8176-70.3167.6000111.1F281 S285 A291 G292 K293 L365 T475 V479 L480F281-I289 HydrophobicContact CD1-CD1 3.72Å; F281-I289 HydrophobicContact CE1-CD1 3.66Å; S285-I289 WeakPolarHBondContact O-CB 3.44Å; S285-I289 WeakPolarHBondContact O-CD1 3.22Å; S285-I289 VanDerWaalsContact O-CG1 3.25Å; S285-I289 WeakPolarHBondContact O-CG1 3.14Å; S285-I289 PolarHBondContact O-N 3.38Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 2.74Å; I289-G292 PolarHBondContact O-N 3.2Å; I289-K293 HydrophobicContact CG2-CG 4.28Å; I289-K293 WeakPolarHBondContact O-CB 3.27Å; I289-K293 WeakPolarHBondContact O-CG 3.29Å; I289-K293 PolarHBondContact O-N 3.27Å; I289-L365 HydrophobicContact CG2-CD1 4.47Å; I289-T475 HydrophobicContact CD1-CG2 4.43Å; I289-T475 HydrophobicContact CG1-CG2 4.25Å; I289-V479 HydrophobicContact CD1-CB 4.16Å; I289-V479 HydrophobicContact CD1-CG1 3.62Å; I289-L480 HydrophobicContact CD1-CD1 4.49Å; I289-L480 HydrophobicContact CD1-CD2 4.33Å; I289-L480 HydrophobicContact CD1-CG 4.2Å; I289-L480 HydrophobicContact CG1-CD1 4.25Å; I289-L480 HydrophobicContact CG2-CD1 4.11Å; I289-L480 HydrophobicContact CG2-CD2 4.11Å
290A96Very high93.6Very high11 Ų1127 Ų279%0.09115%0.145CC..Hα-helixtrans-62.1-38.3178.800000112G286 V287 F288 G294 I295 L296 L418G286-A290 VanDerWaalsContact O-CB 3.3Å; G286-A290 WeakPolarHBondContact O-CB 3.44Å; G286-A290 PolarHBondContact O-N 2.94Å; V287-A290 PolarHBondContact O-N 2.96Å; F288-A290 PolarHBondContact O-N 3.48Å; A290-G294 PolarHBondContact O-N 3.26Å; A290-I295 PolarHBondContact O-N 2.96Å; A290-L296 HydrophobicContact CB-CB 3.92Å; A290-L296 PolarHBondContact O-N 3.03Å; A290-L418 HydrophobicContact CB-CD1 3.92Å
291A96.3Very high93.6Very high5 Ų525.9 Ų25.94%0.04114%0.139CC..Hα-helixtrans-69.4-44.1175.400000111.9V287 F288 I289 G294 L296 M357 A374V287-A291 WeakPolarHBondContact O-CB 3.21Å; V287-A291 PolarHBondContact O-N 3.4Å; F288-A291 PolarHBondContact O-N 3.18Å; I289-A291 VanDerWaalsContact C-N 3.29Å; I289-A291 PolarHBondContact O-N 2.74Å; A291-G294 WeakPolarHBondContact O-CA 3.33Å; A291-G294 PolarHBondContact O-N 2.94Å; A291-L296 HydrophobicContact CB-CB 4.45Å; A291-L296 HydrophobicContact CB-CD2 4.44Å; A291-M357 HydrophobicContact CB-CE 3.52Å; A291-A374 HydrophobicContact CB-CB 3.75Å
292G96.4Very high93.8Very high0 Ų022.9 Ų22.90%013%0.128CC..Hα-helixtrans-64.2-38.9177.400000113.6F288 I289 G294 P372F288-G292 PolarHBondContact O-N 3.4Å; I289-G292 PolarHBondContact O-N 3.2Å; G292-G294 PolarHBondContact O-N 3.41Å; G292-P372 WeakPolarHBondContact O-CG 3.24Å
293K95.8Very high94Very high32 Ų3220.9 Ų20.914%0.13912%0.118CC..THydrogen-bonded Turntrans-73.8-4.2172.2-65.4-78.3-179.2177.50112.4I289 I295 L365 E366 F369 R370 E482I289-K293 HydrophobicContact CG2-CG 4.28Å; I289-K293 WeakPolarHBondContact O-CB 3.27Å; I289-K293 WeakPolarHBondContact O-CG 3.29Å; I289-K293 PolarHBondContact O-N 3.27Å; K293-I295 HydrophobicContact CB-CD1 4.01Å; K293-I295 HydrophobicContact CB-CG1 3.98Å; K293-I295 PolarHBondContact O-N 3.19Å; K293-L365 HydrophobicContact CD-CB 4.05Å; K293-L365 HydrophobicContact CD-CD1 4.28Å; K293-L365 HydrophobicContact CG-CD1 3.95Å; K293-E366 PolarHBondContact NZ-O 2.98Å; K293-F369 WeakPolarHBondContact O-CB 3.46Å; K293-F369 PolarHBondContact O-N 2.92Å; K293-R370 PolarHBondContact O-N 3.41Å; K293-E482 IonicContact NZ-OE1 3.89Å; K293-E482 PolarHBondContact NZ-OE1 2.89Å
294G94.6Very high94.4Very high0 Ų025.3 Ų25.30%013%0.133CC..THydrogen-bonded Turntrans66.419.1-176.500000114.1A290 A291 G292 R370A290-G294 PolarHBondContact O-N 3.26Å; A291-G294 WeakPolarHBondContact O-CA 3.33Å; A291-G294 PolarHBondContact O-N 2.94Å; G292-G294 PolarHBondContact O-N 3.41Å; G294-R370 WeakPolarHBondContact CA-O 3.43Å; G294-R370 PolarHBondContact O-NE 2.92Å; G294-R370 PolarHBondContact O-NH2 3.15Å
295I94.8Very high94.5Very high41 Ų4124.6 Ų24.621%0.2113%0.128CC..  trans-73.6-54.5173.9-61.2174.2000107.7A290 K293 F369 R370 I414 F415 L418A290-I295 PolarHBondContact O-N 2.96Å; K293-I295 HydrophobicContact CB-CD1 4.01Å; K293-I295 HydrophobicContact CB-CG1 3.98Å; K293-I295 PolarHBondContact O-N 3.19Å; I295-F369 HydrophobicContact CG1-CB 4.16Å; I295-R370 PolarHBondContact O-NH2 3.37Å; I295-R370 VanDerWaalsContact O-NH2 3.09Å; I295-I414 HydrophobicContact CG2-CG2 4.42Å; I295-F415 HydrophobicContact CG2-CE1 3.91Å; I295-F415 HydrophobicContact CG2-CZ 4.12Å; I295-F415 VanDerWaalsContact O-CE1 3.27Å; I295-F415 WeakPolarHBondContact O-CE1 3.42Å; I295-L418 HydrophobicContact CG2-CD2 3.9Å
296L95.8Very high94.5Very high3 Ų324.9 Ų24.92%0.01613%0.13CC..  trans-75.6130.4174.2-177.158.6000110.9V287 A290 A291 T298 A374 L418 I422V287-L296 HydrophobicContact CG1-CD2 3.78Å; A290-L296 HydrophobicContact CB-CB 3.92Å; A290-L296 PolarHBondContact O-N 3.03Å; A291-L296 HydrophobicContact CB-CB 4.45Å; A291-L296 HydrophobicContact CB-CD2 4.44Å; L296-T298 WeakPolarHBondContact CD1-O 3.15Å; L296-A374 HydrophobicContact CG-CB 4.37Å; L296-L418 HydrophobicContact CB-CD2 4.22Å; L296-L418 HydrophobicContact CD1-CD2 4.19Å; L296-I422 HydrophobicContact CD1-CD1 3.35Å; L296-I422 HydrophobicContact CD2-CD1 4.06Å; L296-I422 HydrophobicContact CG-CD1 4.34Å
297R94.9Very high94.5Very high39 Ų3924 Ų2415%0.14712%0.12CC..  trans-122.7-28.7-178.6-54.8-63.9-64.6177.95.6112.9R370 R371 N373 A374 N375 H391R297-R370 VanDerWaalsContact CG-NH2 3.29Å; R297-R371 PolarHBondContact NH1-O 3.22Å; R297-N373 VanDerWaalsContact CZ-O 3.26Å; R297-N373 PolarHBondContact NE-O 2.96Å; R297-N373 PolarHBondContact NH2-ND2 3.29Å; R297-A374 WeakPolarHBondContact O-CA 3.3Å; R297-N375 PolarHBondContact O-N 2.74Å; R297-H391 VanDerWaalsContact CB-NE2 3.29Å; R297-H391 WeakPolarHBondContact CB-NE2 3.08Å; R297-H391 PolarHBondContact N-NE2 3.11Å
298T94.7Very high94.5Very high3 Ų322.8 Ų22.82%0.01811%0.114CC..EExtended strand (participates in β ladder)trans-144.8140.7179.2-172.90000110.1L296 N375 N383 W386 I387L296-T298 WeakPolarHBondContact CD1-O 3.15Å; T298-N375 CarbonylContact C-O 3.55Å; T298-N375 VanDerWaalsContact CA-O 3.25Å; T298-N375 WeakPolarHBondContact CA-O 3.5Å; T298-N383 VanDerWaalsContact CG2-OD1 3.32Å; T298-N383 WeakPolarHBondContact CG2-OD1 3.4Å; T298-N383 PolarHBondContact OG1-OD1 3.21Å; T298-W386 HydrophobicContact CG2-CB 3.53Å; T298-I387 HydrophobicContact CG2-CG1 3.64Å
299M93.9Very high94.5Very high12 Ų1222.7 Ų22.76%0.05911%0.113CC..EExtended strand (participates in β ladder)trans-137141.7171.3178.1172.7116.800108.6V287 A301 W349 N375 I376 T377 I422V287-M299 HydrophobicContact CG1-SD 4.04Å; M299-A301 HydrophobicContact CE-CB 3.94Å; M299-W349 HydrophobicContact CE-CE3 4.47Å; M299-N375 PolarHBondContact N-O 2.97Å; M299-I376 HydrophobicContact CE-CD1 4.49Å; M299-I376 WeakPolarHBondContact O-CA 3.49Å; M299-T377 PolarHBondContact O-N 2.85Å; M299-I422 HydrophobicContact CG-CG2 3.75Å; M299-I422 HydrophobicContact SD-CG2 4.34Å
300R93.2Very high94.6Very high74 Ų7422 Ų2228%0.27911%0.11SC..EExtended strand (participates in β ladder)trans-86.5124172.2-174.9168.8176.2-141.4-0.4109.5T377 N383 E426R300-T377 VanDerWaalsContact CA-O 3.26Å; R300-T377 WeakPolarHBondContact CA-O 3.3Å; R300-N383 HydrophobicContact CB-CB 4.46Å; R300-E426 VanDerWaalsContact CD-OE1 3.29Å; R300-E426 WeakPolarHBondContact CD-OE1 3.46Å; R300-E426 IonicContact CZ-OE1 3.42Å; R300-E426 IonicContact NE-OE1 3.09Å; R300-E426 IonicContact NH1-OE1 2.71Å; R300-E426 PolarHBondContact NH1-OE1 2.75Å
301A92.4Very high94.7Very high0 Ų021.5 Ų21.50%011%0.106CC..  trans-158.9163.7171.100000108.6M299 W349 I376 T377 S378 S429M299-A301 HydrophobicContact CE-CB 3.94Å; A301-W349 HydrophobicContact CB-CB 4.47Å; A301-W349 HydrophobicContact CB-CG 4.32Å; A301-I376 HydrophobicContact CB-CG2 3.36Å; A301-T377 PolarHBondContact N-O 3.15Å; A301-T377 CarbonylContact O-C 3.59Å; A301-S378 WeakPolarHBondContact O-CA 3.46Å; A301-S378 PolarHBondContact O-N 3.08Å; A301-S378 VanDerWaalsContact O-N 3.12Å; A301-S429 CarbonylContact C-O 3.43Å; A301-S429 WeakPolarHBondContact CA-O 3.48Å; A301-S429 VanDerWaalsContact CB-O 3.24Å; A301-S429 WeakPolarHBondContact CB-O 3.13Å
302N92.9Very high94.7Very high53 Ų5321.3 Ų21.328%0.28310%0.104SC..  trans-85.5114.7169.7-178.16.9000108.9D304 A305 S429N302-D304 PolarHBondContact O-N 3.05Å; N302-D304 PolarHBondContact OD1-N 2.75Å; N302-A305 HydrophobicContact CB-CB 3.69Å; N302-A305 PolarHBondContact O-N 3.33Å; N302-A305 VanDerWaalsContact O-N 3.09Å; N302-S429 PolarHBondContact N-O 3.49Å
303N90.6Very high94.8Very high50 Ų5021.5 Ų21.527%0.26711%0.105SC..THydrogen-bonded Turntrans-63.2-27.2-177.1-70.2-4.8000112.8G350 I376N303-G350 PolarHBondContact O-N 3.37Å; N303-I376 PolarHBondContact ND2-O 2.89Å; N303-I376 WeakPolarHBondContact OD1-CB 3.19Å; N303-I376 WeakPolarHBondContact OD1-CG2 3.33Å; N303-I376 PolarHBondContact OD1-O 3.4Å
304D92.9Very high95Very high126 Ų12620 Ų2067%0.67410%0.099SC*.THydrogen-bonded Turntrans-94.3-3.5-179.8-52.9-43000112.2N302 H348N302-D304 PolarHBondContact O-N 3.05Å; N302-D304 PolarHBondContact OD1-N 2.75Å; D304-H348 PolarHBondContact O-CD2 3.1Å; D304-H348 VanDerWaalsContact O-CD2 3.28Å
305A93.6Very high95.1Very high0 Ų020 Ų200%010%0.099CC..SBendtrans-80.4144173.800000110.5N302 A307 H348 W349 E432N302-A305 HydrophobicContact CB-CB 3.69Å; N302-A305 PolarHBondContact O-N 3.33Å; N302-A305 VanDerWaalsContact O-N 3.09Å; A305-A307 PolarHBondContact O-N 2.98Å; A305-H348 WeakPolarHBondContact O-CA 3.12Å; A305-W349 VanDerWaalsContact O-CD1 3.28Å; A305-W349 PolarHBondContact O-N 3.5Å; A305-E432 HydrophobicContact CB-CB 4.34Å
306V95.1Very high95.3Very high7 Ų718.1 Ų18.14%0.0429%0.089CC..BIsolated β-bridgetrans-64.9132173.3176.40000110.3P346 E432V306-P346 HydrophobicContact CG2-CB 4.13Å; V306-E432 HydrophobicContact CB-CG 4.12Å; V306-E432 HydrophobicContact CG2-CG 4.25Å; V306-E432 WeakPolarHBondContact CG2-OE1 3.29Å
307A93.8Very high95.5Very high1 Ų118.3 Ų18.31%0.0089%0.09CC..  trans-99.390173.500000109.2A305 L309 F347 W349 I352A305-A307 PolarHBondContact O-N 2.98Å; A307-L309 PolarHBondContact O-N 3.06Å; A307-F347 PolarHBondContact N-O 3.24Å; A307-W349 HydrophobicContact CB-CD2 3.55Å; A307-W349 VanDerWaalsContact CB-CE2 3.42Å; A307-W349 HydrophobicContact CB-CE3 3.97Å; A307-W349 HydrophobicContact CB-CG 3.94Å; A307-W349 HydrophobicContact CB-CH2 4.16Å; A307-W349 HydrophobicContact CB-CZ2 3.76Å; A307-W349 HydrophobicContact CB-CZ3 4.25Å; A307-I352 HydrophobicContact CB-CD1 3.21Å; A307-I352 HydrophobicContact CB-CG1 4.36Å
308D94.3Very high95.6Very high1 Ų116.5 Ų16.51%0.0058%0.083CC..  trans-6870.5-178.6-84.2-64.8000113.4Y189 S264 I265 G342 W435Y189-D308 WeakPolarHBondContact OH-CB 3.46Å; S264-D308 WeakPolarHBondContact CB-O 3.38Å; S264-D308 PolarHBondContact OG-O 3.42Å; I265-D308 WeakPolarHBondContact CB-O 3.45Å; I265-D308 PolarHBondContact N-O 2.79Å; D308-G342 WeakPolarHBondContact OD1-CA 3.36Å; D308-G342 PolarHBondContact OD1-N 3.27Å; D308-W435 VanDerWaalsContact CG-NE1 3.3Å; D308-W435 PolarHBondContact OD1-NE1 3Å; D308-W435 PolarHBondContact OD2-NE1 3.4Å
309L95.9Very high95.8Very high5 Ų516.3 Ų16.33%0.0268%0.082CC..EExtended strand (participates in β ladder)trans-86.5132.1173-169.463.3000109.3I265 P284 A307 T341 W464 Y467 I468 Y471I265-L309 HydrophobicContact CB-CD1 4.38Å; I265-L309 HydrophobicContact CG2-CD1 4.01Å; I265-L309 CarbonylContact O-C 3.5Å; I265-L309 WeakPolarHBondContact O-CA 3.35Å; I265-L309 WeakPolarHBondContact O-CD1 3.44Å; P284-L309 HydrophobicContact CG-CD1 3.89Å; A307-L309 PolarHBondContact O-N 3.06Å; L309-T341 WeakPolarHBondContact O-CG2 3.44Å; L309-T341 PolarHBondContact O-OG1 2.99Å; L309-W464 HydrophobicContact CB-CH2 4.21Å; L309-W464 HydrophobicContact CB-CZ3 4.16Å; L309-W464 HydrophobicContact CD2-CZ3 4.35Å; L309-W464 WeakPolarHBondContact O-CH2 3.42Å; L309-Y467 HydrophobicContact CD2-CD1 4.45Å; L309-Y467 HydrophobicContact CD2-CE1 3.64Å; L309-Y467 HydrophobicContact CG-CE1 4.11Å; L309-I468 HydrophobicContact CD2-CD1 3.91Å; L309-Y471 HydrophobicContact CD1-CE1 4.37Å; L309-Y471 HydrophobicContact CD2-CD1 4.36Å; L309-Y471 HydrophobicContact CD2-CE1 4.27Å
310I97.7Very high96.1Very high0 Ų015.8 Ų15.80%08%0.079CC..EExtended strand (participates in β ladder)trans-125.6128.9177.2-169.871.8000110P263 S264 I265 V266 G267 V314 V315 T341 V459P263-I310 HydrophobicContact CB-CG2 4.37Å; S264-I310 WeakPolarHBondContact OG-CG2 3.3Å; I265-I310 PolarHBondContact O-N 3.24Å; V266-I310 CarbonylContact C-O 3.58Å; V266-I310 VanDerWaalsContact CA-O 3.32Å; V266-I310 WeakPolarHBondContact CA-O 3.49Å; V266-I310 HydrophobicContact CB-CG2 4.46Å; V266-I310 HydrophobicContact CG2-CG2 4.03Å; G267-I310 PolarHBondContact N-O 2.76Å; I310-V314 HydrophobicContact CD1-CB 4.29Å; I310-V314 HydrophobicContact CD1-CG1 3.71Å; I310-V314 HydrophobicContact CG1-CB 4.46Å; I310-V314 HydrophobicContact CG1-CG1 4.21Å; I310-V315 HydrophobicContact CB-CG2 4.4Å; I310-V315 HydrophobicContact CG1-CG2 3.74Å; I310-V315 HydrophobicContact CG2-CG2 3.75Å; I310-T341 HydrophobicContact CD1-CG2 3.69Å; I310-V459 HydrophobicContact CD1-CG1 3.7Å
311P98.3Very high96.3Very high0 Ų012.2 Ų12.20%07%0.066CC..EExtended strand (participates in β ladder)trans-64.5141.6176.1-22.233.7000112.5A268 W270 D313 V314 V315 L462 Y467A268-P311 WeakPolarHBondContact O-CA 3.47Å; W270-P311 HydrophobicContact CB-CB 3.64Å; W270-P311 HydrophobicContact CB-CG 3.72Å; P311-D313 VanDerWaalsContact C-N 3.29Å; P311-D313 WeakPolarHBondContact CB-OD1 3.29Å; P311-D313 PolarHBondContact O-N 3Å; P311-V314 HydrophobicContact CB-CB 4.39Å; P311-V314 HydrophobicContact CB-CG2 4.01Å; P311-V314 HydrophobicContact CG-CG2 4.1Å; P311-V314 WeakPolarHBondContact O-CB 3.41Å; P311-V314 PolarHBondContact O-N 3.12Å; P311-V315 PolarHBondContact O-N 3.24Å; P311-L462 HydrophobicContact CG-CD1 4.34Å; P311-L462 HydrophobicContact CG-CD2 4.2Å; P311-Y467 HydrophobicContact CB-CE2 4.01Å; P311-Y467 HydrophobicContact CG-CD2 4.41Å; P311-Y467 HydrophobicContact CG-CE2 3.77Å
312V98.1Very high96.6Very high0 Ų012.2 Ų12.20%07%0.066CC..Hα-helixtrans-60.5-37-17764.60000113.3F55 M56 V59 V266 G267 V315 I316F55-V312 HydrophobicContact CD1-CG2 4.33Å; F55-V312 HydrophobicContact CE1-CB 3.8Å; F55-V312 HydrophobicContact CE1-CG1 4.32Å; F55-V312 HydrophobicContact CE1-CG2 3.85Å; F55-V312 HydrophobicContact CE2-CB 4.48Å; F55-V312 HydrophobicContact CE2-CG1 4.2Å; F55-V312 HydrophobicContact CE2-CG2 4.45Å; F55-V312 HydrophobicContact CZ-CB 3.64Å; F55-V312 HydrophobicContact CZ-CG1 3.64Å; F55-V312 HydrophobicContact CZ-CG2 3.91Å; M56-V312 HydrophobicContact CB-CG2 4.48Å; M56-V312 HydrophobicContact CG-CG2 4Å; V59-V312 HydrophobicContact CB-CG2 4.19Å; V59-V312 HydrophobicContact CG1-CG2 4.46Å; V59-V312 HydrophobicContact CG2-CG1 4.04Å; V59-V312 HydrophobicContact CG2-CG2 3.85Å; V266-V312 HydrophobicContact CG1-CB 3.7Å; V266-V312 HydrophobicContact CG1-CG2 4.01Å; G267-V312 PolarHBondContact O-N 3.36Å; V312-V315 PolarHBondContact O-N 3.44Å; V312-I316 HydrophobicContact CG2-CG1 4.46Å; V312-I316 WeakPolarHBondContact O-CG1 3.46Å; V312-I316 PolarHBondContact O-N 2.85Å
313D98.1Very high96.9Very high5 Ų59.7 Ų9.73%0.0275%0.052CC..Hα-helixtrans-68.4-35.1179.154.5-34.4000112.6S269 W270 Q271 E272 P311 V315 I316 N317S269-D313 WeakPolarHBondContact CA-OD1 3.44Å; W270-D313 PolarHBondContact N-OD1 3.12Å; W270-D313 PolarHBondContact N-OD2 2.85Å; Q271-D313 PolarHBondContact N-OD2 3.03Å; E272-D313 HydrophobicContact CB-CB 4.34Å; E272-D313 PolarHBondContact N-OD2 3.18Å; E272-D313 WeakPolarHBondContact O-CB 3.49Å; P311-D313 VanDerWaalsContact C-N 3.29Å; P311-D313 WeakPolarHBondContact CB-OD1 3.29Å; P311-D313 PolarHBondContact O-N 3Å; D313-V315 VanDerWaalsContact C-N 3.35Å; D313-I316 PolarHBondContact O-N 3.45Å; D313-N317 VanDerWaalsContact O-CB 3.28Å; D313-N317 WeakPolarHBondContact O-CB 3.44Å; D313-N317 PolarHBondContact O-N 2.67Å; D313-N317 PolarHBondContact O-ND2 3.45Å
314V98.5Very high97.3Very high1 Ų17.5 Ų7.51%0.0064%0.04CC..Hα-helixtrans-60.9-45.4171.3171.60000110.8W270 I310 P311 I316 N317 L318 F457 V459W270-V314 HydrophobicContact CE3-CG2 4.07Å; I310-V314 HydrophobicContact CD1-CB 4.29Å; I310-V314 HydrophobicContact CD1-CG1 3.71Å; I310-V314 HydrophobicContact CG1-CB 4.46Å; I310-V314 HydrophobicContact CG1-CG1 4.21Å; P311-V314 HydrophobicContact CB-CB 4.39Å; P311-V314 HydrophobicContact CB-CG2 4.01Å; P311-V314 HydrophobicContact CG-CG2 4.1Å; P311-V314 WeakPolarHBondContact O-CB 3.41Å; P311-V314 PolarHBondContact O-N 3.12Å; V314-I316 VanDerWaalsContact C-N 3.35Å; V314-I316 PolarHBondContact O-N 2.94Å; V314-N317 PolarHBondContact O-N 2.88Å; V314-L318 WeakPolarHBondContact O-CB 3.47Å; V314-L318 PolarHBondContact O-N 3.29Å; V314-F457 HydrophobicContact CG1-CB 3.83Å; V314-V459 HydrophobicContact CG1-CG1 3.8Å; V314-V459 HydrophobicContact CG2-CG1 4.45Å
315V98.6Very high97.5Very high0 Ų03 Ų30%01%0.014CC..Hα-helixtrans-63.9-41.4178.2-1740000111.2M56 I261 P263 V266 I310 P311 V312 D313 T319M56-V315 HydrophobicContact CE-CB 4.2Å; M56-V315 HydrophobicContact CE-CG1 3.37Å; I261-V315 HydrophobicContact CG2-CG1 4.33Å; P263-V315 HydrophobicContact CB-CG1 3.88Å; P263-V315 HydrophobicContact CB-CG2 3.93Å; P263-V315 HydrophobicContact CG-CG1 4.29Å; V266-V315 HydrophobicContact CG2-CG2 4.35Å; I310-V315 HydrophobicContact CB-CG2 4.4Å; I310-V315 HydrophobicContact CG1-CG2 3.74Å; I310-V315 HydrophobicContact CG2-CG2 3.75Å; P311-V315 PolarHBondContact O-N 3.24Å; V312-V315 PolarHBondContact O-N 3.44Å; D313-V315 VanDerWaalsContact C-N 3.35Å; V315-T319 WeakPolarHBondContact O-CB 3.25Å; V315-T319 PolarHBondContact O-N 3.25Å; V315-T319 PolarHBondContact O-OG1 3.27Å
316I98.7Very high97.7Very high1 Ų13 Ų31%0.0051%0.014CC..Hα-helixtrans-69-41.4179.2-67.6-39.3000111.8M56 V59 L60 K63 V312 D313 V314 L318 T319 L320M56-I316 HydrophobicContact CB-CD1 4.27Å; M56-I316 HydrophobicContact CE-CD1 4.31Å; V59-I316 HydrophobicContact CB-CG1 3.84Å; V59-I316 HydrophobicContact CG1-CB 4.14Å; V59-I316 HydrophobicContact CG1-CG1 3.69Å; V59-I316 HydrophobicContact CG1-CG2 4.34Å; L60-I316 HydrophobicContact CB-CD1 3.91Å; L60-I316 HydrophobicContact CB-CG1 4.43Å; L60-I316 HydrophobicContact CB-CG2 4.31Å; L60-I316 HydrophobicContact CD1-CG2 3.96Å; K63-I316 HydrophobicContact CB-CG2 3.8Å; K63-I316 HydrophobicContact CG-CG2 4Å; V312-I316 HydrophobicContact CG2-CG1 4.46Å; V312-I316 WeakPolarHBondContact O-CG1 3.46Å; V312-I316 PolarHBondContact O-N 2.85Å; D313-I316 PolarHBondContact O-N 3.45Å; V314-I316 VanDerWaalsContact C-N 3.35Å; V314-I316 PolarHBondContact O-N 2.94Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-L318 PolarHBondContact O-N 3.36Å; I316-T319 WeakPolarHBondContact O-CB 3.49Å; I316-T319 PolarHBondContact O-N 3.42Å; I316-T319 VanDerWaalsContact O-N 3.14Å; I316-L320 HydrophobicContact CG2-CD1 4.33Å; I316-L320 WeakPolarHBondContact O-CG 3.48Å; I316-L320 PolarHBondContact O-N 2.86Å
317N98.7Very high97.8Very high7 Ų73 Ų34%0.0371%0.014CC..Hα-helixtrans-59.6-46.8175.6-74.2-11.5000111.2K63 D313 V314 T319 L320 A321 F455 N456 F457K63-N317 WeakPolarHBondContact CE-OD1 3.43Å; D313-N317 VanDerWaalsContact O-CB 3.28Å; D313-N317 WeakPolarHBondContact O-CB 3.44Å; D313-N317 PolarHBondContact O-N 2.67Å; D313-N317 PolarHBondContact O-ND2 3.45Å; V314-N317 PolarHBondContact O-N 2.88Å; N317-T319 VanDerWaalsContact C-N 3.33Å; N317-T319 PolarHBondContact O-N 2.82Å; N317-L320 PolarHBondContact O-N 3.1Å; N317-A321 WeakPolarHBondContact O-CB 3.31Å; N317-A321 PolarHBondContact O-N 3.42Å; N317-F455 HydrophobicContact CB-CB 4.31Å; N317-N456 WeakPolarHBondContact CB-O 3.5Å; N317-N456 PolarHBondContact ND2-N 3.26Å; N317-N456 PolarHBondContact ND2-O 3Å; N317-F457 HydrophobicContact CB-CB 4.41Å; N317-F457 HydrophobicContact CB-CD1 4.34Å
318L98.8Very high97.9Very high0 Ų05.8 Ų5.80%03%0.031CC..Hα-helixtrans-60.2-42.6173175.466.1000111.8I261 V314 I316 L320 A321 A322 Y337 C339 M440 L443 F457I261-L318 HydrophobicContact CD1-CG 4.33Å; I261-L318 HydrophobicContact CG2-CD2 3.89Å; I261-L318 HydrophobicContact CG2-CG 4.48Å; V314-L318 WeakPolarHBondContact O-CB 3.47Å; V314-L318 PolarHBondContact O-N 3.29Å; I316-L318 VanDerWaalsContact C-N 3.35Å; I316-L318 PolarHBondContact O-N 3.36Å; L318-L320 VanDerWaalsContact C-N 3.33Å; L318-L320 PolarHBondContact O-N 3.41Å; L318-A321 PolarHBondContact O-N 2.89Å; L318-A322 WeakPolarHBondContact O-CB 3.18Å; L318-A322 PolarHBondContact O-N 3.13Å; L318-Y337 HydrophobicContact CD1-CD1 4.23Å; L318-Y337 HydrophobicContact CD1-CG 4.46Å; L318-C339 HydrophobicContact CD2-CB 3.49Å; L318-C339 VanDerWaalsContact CD2-CB 3.49Å; L318-C339 VanDerWaalsContact CD2-SG 3.51Å; L318-M440 HydrophobicContact CD1-CE 4.37Å; L318-M440 HydrophobicContact CD1-CG 4.21Å; L318-M440 HydrophobicContact CD2-CE 3.93Å; L318-M440 HydrophobicContact CD2-CG 4.17Å; L318-M440 HydrophobicContact CD2-SD 3.96Å; L318-L443 HydrophobicContact CD1-CD2 3.7Å; L318-F457 HydrophobicContact CB-CB 4.09Å; L318-F457 HydrophobicContact CB-CD1 4.09Å; L318-F457 HydrophobicContact CB-CG 3.98Å; L318-F457 HydrophobicContact CD1-CD1 4.43Å; L318-F457 HydrophobicContact CD1-CD2 4.06Å; L318-F457 HydrophobicContact CD1-CE1 4.38Å; L318-F457 HydrophobicContact CD1-CE2 3.99Å; L318-F457 HydrophobicContact CD1-CG 4.29Å; L318-F457 HydrophobicContact CD1-CZ 4.19Å
319T98.8Very high98Very high0 Ų08.6 Ų8.60%05%0.045CC..Hα-helixtrans-60.8-42.5-178.9-620000111.5L60 F143 I183 I185 V315 I316 N317 G323L60-T319 HydrophobicContact CD1-CG2 4.41Å; F143-T319 HydrophobicContact CD1-CG2 3.52Å; F143-T319 HydrophobicContact CE1-CG2 3.58Å; F143-T319 WeakPolarHBondContact CE1-O 3Å; F143-T319 HydrophobicContact CG-CG2 4.5Å; I183-T319 HydrophobicContact CG2-CG2 4.2Å; I185-T319 HydrophobicContact CD1-CG2 3.95Å; V315-T319 WeakPolarHBondContact O-CB 3.25Å; V315-T319 PolarHBondContact O-N 3.25Å; V315-T319 PolarHBondContact O-OG1 3.27Å; I316-T319 WeakPolarHBondContact O-CB 3.49Å; I316-T319 PolarHBondContact O-N 3.42Å; I316-T319 VanDerWaalsContact O-N 3.14Å; N317-T319 VanDerWaalsContact C-N 3.33Å; N317-T319 PolarHBondContact O-N 2.82Å; T319-G323 PolarHBondContact O-N 3.19Å
320L98.8Very high97.9Very high0 Ų015.2 Ų15.20%07%0.069CC..Hα-helixtrans-70.4-44.1177.5-67.7178.4000112.2Y42 L60 K63 L64 F143 I316 N317 L318 A322 G323 W324 F455Y42-L320 HydrophobicContact CE2-CD2 4.37Å; Y42-L320 PolarHBondContact OH-O 2.75Å; Y42-L320 VanDerWaalsContact OH-O 3.12Å; L60-L320 HydrophobicContact CD1-CD1 4.42Å; L60-L320 HydrophobicContact CD1-CD2 3.53Å; L60-L320 HydrophobicContact CD1-CG 3.88Å; K63-L320 HydrophobicContact CB-CD1 4.15Å; K63-L320 HydrophobicContact CG-CD1 3.47Å; K63-L320 VanDerWaalsContact CG-CD1 3.47Å; L64-L320 HydrophobicContact CD1-CD2 4.19Å; L64-L320 HydrophobicContact CD2-CD1 4.45Å; L64-L320 HydrophobicContact CD2-CD2 3.54Å; L64-L320 HydrophobicContact CG-CD1 4.38Å; L64-L320 HydrophobicContact CG-CD2 3.73Å; F143-L320 HydrophobicContact CE2-CD2 4.04Å; F143-L320 HydrophobicContact CZ-CD2 3.79Å; I316-L320 HydrophobicContact CG2-CD1 4.33Å; I316-L320 WeakPolarHBondContact O-CG 3.48Å; I316-L320 PolarHBondContact O-N 2.86Å; N317-L320 PolarHBondContact O-N 3.1Å; L318-L320 VanDerWaalsContact C-N 3.33Å; L318-L320 PolarHBondContact O-N 3.41Å; L320-A322 VanDerWaalsContact C-N 3.32Å; L320-A322 PolarHBondContact O-N 2.82Å; L320-G323 PolarHBondContact O-N 3.25Å; L320-W324 PolarHBondContact O-N 3.18Å; L320-F455 HydrophobicContact CB-CD1 4.19Å; L320-F455 HydrophobicContact CB-CE1 4.33Å; L320-F455 HydrophobicContact CD1-CD1 4.06Å; L320-F455 HydrophobicContact CD1-CE1 3.73Å
321A98.7Very high97.7Very high0 Ų016.7 Ų16.70%08%0.079CC..Hα-helixtrans-60.7-41.7174.600000111.8I38 N317 L318 W324 Y325 L443 L447 F457I38-A321 HydrophobicContact CD1-CB 3.81Å; N317-A321 WeakPolarHBondContact O-CB 3.31Å; N317-A321 PolarHBondContact O-N 3.42Å; L318-A321 PolarHBondContact O-N 2.89Å; A321-W324 PolarHBondContact O-N 3.42Å; A321-Y325 WeakPolarHBondContact O-CB 3.22Å; A321-Y325 PolarHBondContact O-N 2.99Å; A321-L443 HydrophobicContact CB-CD1 4.5Å; A321-L443 HydrophobicContact CB-CD2 4.04Å; A321-L443 HydrophobicContact CB-CG 4.33Å; A321-L447 HydrophobicContact CB-CD2 4.26Å; A321-F457 HydrophobicContact CB-CD1 4.45Å; A321-F457 HydrophobicContact CB-CE1 3.6Å; A321-F457 HydrophobicContact CB-CZ 4.32Å
322A98.6Very high97.2Very high0 Ų026.5 Ų26.50%012%0.121CC..Hα-helixtrans-67.9-36.5176.500000112.2I261 L318 L320 Y325 T326 Y337 L443I261-A322 HydrophobicContact CD1-CB 3.62Å; L318-A322 WeakPolarHBondContact O-CB 3.18Å; L318-A322 PolarHBondContact O-N 3.13Å; L320-A322 VanDerWaalsContact C-N 3.32Å; L320-A322 PolarHBondContact O-N 2.82Å; A322-Y325 PolarHBondContact O-N 3.4Å; A322-T326 WeakPolarHBondContact O-CB 3.23Å; A322-T326 PolarHBondContact O-N 3.11Å; A322-T326 PolarHBondContact O-OG1 2.95Å; A322-Y337 HydrophobicContact CB-CD2 4.26Å; A322-Y337 HydrophobicContact CB-CE2 3.88Å; A322-L443 HydrophobicContact CB-CD2 4.07Å
323G98.4Very high96.9Very high0 Ų030.8 Ų30.80%015%0.148CC..Hα-helixtrans-60-50.2173.100000112T319 L320 A327T319-G323 PolarHBondContact O-N 3.19Å; L320-G323 PolarHBondContact O-N 3.25Å; G323-A327 WeakPolarHBondContact O-CB 3.29Å; G323-A327 PolarHBondContact O-N 3.32Å; G323-A327 VanDerWaalsContact O-N 3.12Å
324W98.4Very high96.8Very high4 Ų431.2 Ų31.22%0.01515%0.152CC..Hα-helixtrans-56-54.3173163.678.4000112A36 I38 Y41 Y42 L320 A321 T326 A327 V328 L443 Q446 L447A36-W324 PolarHBondContact O-NE1 2.77Å; I38-W324 HydrophobicContact CG1-CB 4.03Å; I38-W324 HydrophobicContact CG1-CD2 3.93Å; I38-W324 HydrophobicContact CG1-CE3 4.22Å; I38-W324 HydrophobicContact CG1-CG 3.83Å; Y41-W324 VanDerWaalsContact CB-CD1 3.45Å; Y41-W324 HydrophobicContact CD1-CB 3.96Å; Y41-W324 AromaticContact CD1-CD1 3.85Å; Y41-W324 HydrophobicContact CD1-CG 4.34Å; Y41-W324 HydrophobicContact CE1-CB 4.46Å; Y41-W324 AromaticContact CG-CD1 3.63Å; Y42-W324 HydrophobicContact CE2-CB 4.43Å; Y42-W324 PolarHBondContact OH-N 2.91Å; L320-W324 PolarHBondContact O-N 3.18Å; A321-W324 PolarHBondContact O-N 3.42Å; W324-T326 PolarHBondContact O-N 3.31Å; W324-A327 PolarHBondContact O-N 3.33Å; W324-V328 WeakPolarHBondContact O-CB 3.49Å; W324-V328 WeakPolarHBondContact O-CG2 3.18Å; W324-V328 PolarHBondContact O-N 3.34Å; W324-L443 HydrophobicContact CZ3-CD1 4.36Å; W324-Q446 HydrophobicContact CH2-CB 4.32Å; W324-Q446 HydrophobicContact CZ3-CB 4.25Å; W324-L447 HydrophobicContact CE3-CD2 4.14Å; W324-L447 HydrophobicContact CH2-CD2 4.49Å; W324-L447 HydrophobicContact CZ3-CD2 3.79Å
325Y98.1Very high96.7Very high30 Ų3032.3 Ų32.312%0.11816%0.157CC..Hα-helixtrans-61.1-45.6-176.3-174.8-92.9000111.9A321 A322 A327 V328 H329 P331 L335 M442 L443 Q446A321-Y325 WeakPolarHBondContact O-CB 3.22Å; A321-Y325 PolarHBondContact O-N 2.99Å; A322-Y325 PolarHBondContact O-N 3.4Å; Y325-A327 VanDerWaalsContact C-N 3.3Å; Y325-A327 PolarHBondContact O-N 3.34Å; Y325-V328 PolarHBondContact O-N 3.15Å; Y325-H329 HydrophobicContact CD1-CB 4.45Å; Y325-H329 HydrophobicContact CD2-CB 4.47Å; Y325-H329 AromaticContact CD2-CE1 3.46Å; Y325-H329 VanDerWaalsContact CD2-CE1 3.46Å; Y325-H329 WeakPolarHBondContact CD2-CE1 3.17Å; Y325-H329 AromaticContact CD2-CG 3.76Å; Y325-H329 AromaticContact CD2-ND1 3.27Å; Y325-H329 VanDerWaalsContact CD2-ND1 3.27Å; Y325-H329 WeakPolarHBondContact CD2-ND1 3.41Å; Y325-H329 AromaticContact CD2-NE2 3.99Å; Y325-H329 HydrophobicContact CE1-CB 4.15Å; Y325-H329 HydrophobicContact CE2-CB 4.15Å; Y325-H329 AromaticContact CE2-CD2 3.55Å; Y325-H329 AromaticContact CE2-CE1 3.55Å; Y325-H329 AromaticContact CE2-CG 3.46Å; Y325-H329 VanDerWaalsContact CE2-CG 3.46Å; Y325-H329 AromaticContact CE2-ND1 3.46Å; Y325-H329 WeakPolarHBondContact CE2-ND1 3.05Å; Y325-H329 AromaticContact CE2-NE2 3.59Å; Y325-H329 AromaticContact CG-ND1 3.84Å; Y325-H329 AromaticContact CZ-CG 3.81Å; Y325-H329 VanDerWaalsContact O-CB 3.3Å; Y325-H329 WeakPolarHBondContact O-CB 3.43Å; Y325-H329 PolarHBondContact O-N 3.22Å; Y325-H329 PolarHBondContact O-ND1 3.48Å; Y325-P331 HydrophobicContact CD1-CG 4.31Å; Y325-P331 HydrophobicContact CE1-CG 3.95Å; Y325-L335 HydrophobicContact CD1-CD1 4.01Å; Y325-L335 HydrophobicContact CE1-CD1 3.56Å; Y325-M442 HydrophobicContact CE1-CE 4Å; Y325-M442 HydrophobicContact CE1-SD 4.46Å; Y325-M442 HydrophobicContact CE2-SD 4.19Å; Y325-L443 VanDerWaalsContact CB-CD1 3.47Å; Y325-L443 HydrophobicContact CD1-CD1 4.49Å; Y325-L443 HydrophobicContact CD2-CD1 3.81Å; Y325-L443 HydrophobicContact CG-CD1 3.66Å; Y325-Q446 HydrophobicContact CD2-CB 4.32Å; Y325-Q446 HydrophobicContact CD2-CG 4.24Å; Y325-Q446 HydrophobicContact CE2-CB 4.28Å; Y325-Q446 HydrophobicContact CE2-CG 3.73Å
326T98Very high96.7Very high1 Ų132.3 Ų32.31%0.00616%0.157CC..Hα-helixtrans-60-40.5178.6-58.10000111.5A181 I183 N257 A322 W324 R330A181-T326 HydrophobicContact CB-CG2 3.92Å; I183-T326 HydrophobicContact CD1-CG2 4.24Å; N257-T326 HydrophobicContact CB-CG2 3.96Å; A322-T326 WeakPolarHBondContact O-CB 3.23Å; A322-T326 PolarHBondContact O-N 3.11Å; A322-T326 PolarHBondContact O-OG1 2.95Å; W324-T326 PolarHBondContact O-N 3.31Å; T326-R330 WeakPolarHBondContact O-CA 3.39Å; T326-R330 PolarHBondContact O-N 3.18Å; T326-R330 VanDerWaalsContact O-N 3.16Å
327A97.3Very high96.7Very high6 Ų632.2 Ų32.25%0.0516%0.157CC..Hα-helixtrans-72.3-43.6-179.800000113.6Y41 E180 A181 G323 W324 Y325 R330Y41-A327 HydrophobicContact CE1-CB 4.01Å; Y41-A327 HydrophobicContact CE2-CB 3.67Å; Y41-A327 WeakPolarHBondContact OH-CB 3.49Å; E180-A327 HydrophobicContact CB-CB 3.84Å; A181-A327 HydrophobicContact CB-CB 3.92Å; G323-A327 WeakPolarHBondContact O-CB 3.29Å; G323-A327 PolarHBondContact O-N 3.32Å; G323-A327 VanDerWaalsContact O-N 3.12Å; W324-A327 PolarHBondContact O-N 3.33Å; Y325-A327 VanDerWaalsContact C-N 3.3Å; Y325-A327 PolarHBondContact O-N 3.34Å; A327-R330 WeakPolarHBondContact O-CG 3.41Å
328V96.2Very high96.7Very high60 Ų6031.9 Ų31.936%0.36416%0.155SC..Hα-helixtrans-77.2-46.7-175.4173.50000111.2Y41 W324 Y325Y41-V328 HydrophobicContact CD2-CG2 3.89Å; Y41-V328 HydrophobicContact CE2-CG2 4.3Å; Y41-V328 HydrophobicContact CG-CG2 4.4Å; W324-V328 WeakPolarHBondContact O-CB 3.49Å; W324-V328 WeakPolarHBondContact O-CG2 3.18Å; W324-V328 PolarHBondContact O-N 3.34Å; Y325-V328 PolarHBondContact O-N 3.15Å
329H94.6Very high96.7Very high61 Ų6131.9 Ų31.928%0.28216%0.155SC..Hα-helixtrans-91.5-17.9-172.3-62.474.5000113.3M35 Y325M35-H329 VanDerWaalsContact SD-CE1 3.56Å; M35-H329 PolarHBondContact SD-NE2 3.09Å; Y325-H329 HydrophobicContact CD1-CB 4.45Å; Y325-H329 HydrophobicContact CD2-CB 4.47Å; Y325-H329 AromaticContact CD2-CE1 3.46Å; Y325-H329 VanDerWaalsContact CD2-CE1 3.46Å; Y325-H329 WeakPolarHBondContact CD2-CE1 3.17Å; Y325-H329 AromaticContact CD2-CG 3.76Å; Y325-H329 AromaticContact CD2-ND1 3.27Å; Y325-H329 VanDerWaalsContact CD2-ND1 3.27Å; Y325-H329 WeakPolarHBondContact CD2-ND1 3.41Å; Y325-H329 AromaticContact CD2-NE2 3.99Å; Y325-H329 HydrophobicContact CE1-CB 4.15Å; Y325-H329 HydrophobicContact CE2-CB 4.15Å; Y325-H329 AromaticContact CE2-CD2 3.55Å; Y325-H329 AromaticContact CE2-CE1 3.55Å; Y325-H329 AromaticContact CE2-CG 3.46Å; Y325-H329 VanDerWaalsContact CE2-CG 3.46Å; Y325-H329 AromaticContact CE2-ND1 3.46Å; Y325-H329 WeakPolarHBondContact CE2-ND1 3.05Å; Y325-H329 AromaticContact CE2-NE2 3.59Å; Y325-H329 AromaticContact CG-ND1 3.84Å; Y325-H329 AromaticContact CZ-CG 3.81Å; Y325-H329 VanDerWaalsContact O-CB 3.3Å; Y325-H329 WeakPolarHBondContact O-CB 3.43Å; Y325-H329 PolarHBondContact O-N 3.22Å; Y325-H329 PolarHBondContact O-ND1 3.48Å
330R94.5Very high96.6Very high143 Ų14331.9 Ų31.954%0.5416%0.155SC..  trans42.663.5-179.4-56.8-167.5166-157.9-3113.3N257 T326 A327 K332N257-R330 WeakPolarHBondContact ND2-CD 3.41Å; N257-R330 WeakPolarHBondContact ND2-CG 3.45Å; N257-R330 PolarHBondContact ND2-NE 3.05Å; T326-R330 WeakPolarHBondContact O-CA 3.39Å; T326-R330 PolarHBondContact O-N 3.18Å; T326-R330 VanDerWaalsContact O-N 3.16Å; A327-R330 WeakPolarHBondContact O-CG 3.41Å; R330-K332 PolarHBondContact O-N 3.24Å
331P92.9Very high96.5Very high32 Ų3231.9 Ų31.921%0.20816%0.155CC..  trans-54.5138.6-179.3-22.633.6000111.5Y325 T333 L335Y325-P331 HydrophobicContact CD1-CG 4.31Å; Y325-P331 HydrophobicContact CE1-CG 3.95Å; P331-T333 PolarHBondContact O-N 2.88Å; P331-L335 HydrophobicContact CB-CD1 4.11Å; P331-L335 HydrophobicContact CB-CG 4.05Å; P331-L335 HydrophobicContact CG-CD1 3.71Å; P331-L335 HydrophobicContact CG-CG 4.1Å
332K89.4Confident96.1Very high205 Ų20532.5 Ų32.589%0.89116%0.161SC*.SBendtrans-62-27.6-179.4-67.8-173.3179.2-1780113.5R330R330-K332 PolarHBondContact O-N 3.24Å
333T91.8Very high95.6Very high91 Ų9135.1 Ų35.156%0.55819%0.189SC*.SBendtrans-125147179.554.70000109.4P331 L335P331-T333 PolarHBondContact O-N 2.88Å; T333-L335 PolarHBondContact O-N 3.3Å; T333-L335 VanDerWaalsContact O-N 3.14Å
334A94.3Very high95.4Very high13 Ų1337.9 Ų37.911%0.10720%0.203CC..  trans-53.7119.2176.300000111.3I201 V258I201-A334 HydrophobicContact CD1-CB 4.04Å; V258-A334 HydrophobicContact CG2-CB 3.5Å; V258-A334 VanDerWaalsContact CG2-CB 3.5Å
335L97.7Very high95.3Very high24 Ų2439.2 Ų39.213%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-82.3132.2173.3-68.2-179.7000110.3G259 I260 Y325 P331 T333 Y337 M442G259-L335 WeakPolarHBondContact CA-O 3.37Å; I260-L335 PolarHBondContact N-O 2.73Å; Y325-L335 HydrophobicContact CD1-CD1 4.01Å; Y325-L335 HydrophobicContact CE1-CD1 3.56Å; P331-L335 HydrophobicContact CB-CD1 4.11Å; P331-L335 HydrophobicContact CB-CG 4.05Å; P331-L335 HydrophobicContact CG-CD1 3.71Å; P331-L335 HydrophobicContact CG-CG 4.1Å; T333-L335 PolarHBondContact O-N 3.3Å; T333-L335 VanDerWaalsContact O-N 3.14Å; L335-Y337 HydrophobicContact CB-CE2 3.69Å; L335-Y337 VanDerWaalsContact CD1-OH 3.29Å; L335-Y337 WeakPolarHBondContact CD1-OH 3.43Å; L335-M442 HydrophobicContact CD1-CE 3.99Å
336V98.6Very high95.1Very high0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-108135.4175.6-174.30000108.7E199 I201 I260 R262 N439E199-V336 HydrophobicContact CB-CB 4.38Å; E199-V336 VanDerWaalsContact CB-O 3.31Å; E199-V336 WeakPolarHBondContact CB-O 3.41Å; E199-V336 WeakPolarHBondContact CG-O 3.39Å; I201-V336 HydrophobicContact CD1-CG2 4.42Å; I201-V336 HydrophobicContact CG1-CG2 3.69Å; I260-V336 HydrophobicContact CB-CG1 4.38Å; I260-V336 HydrophobicContact CB-CG2 4.25Å; I260-V336 HydrophobicContact CD1-CG2 4.47Å; I260-V336 HydrophobicContact CG2-CG1 4.34Å; I260-V336 CarbonylContact O-C 3.54Å; I260-V336 WeakPolarHBondContact O-CA 3.2Å; R262-V336 HydrophobicContact CG-CG1 4.11Å; V336-N439 WeakPolarHBondContact O-CB 3.37Å; V336-N439 PolarHBondContact O-ND2 3.29Å
337Y98.4Very high95Very high0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-121.6111.4-179.9-57.2-93000109.9E199 I260 I261 R262 L318 A322 L335 C339 N439 M440 L443E199-Y337 WeakPolarHBondContact OE1-CA 3.34Å; I260-Y337 PolarHBondContact O-N 2.64Å; I261-Y337 HydrophobicContact CD1-CD2 3.56Å; I261-Y337 HydrophobicContact CD1-CE2 4.35Å; I261-Y337 HydrophobicContact CD1-CG 4.03Å; R262-Y337 PolarHBondContact N-O 3.33Å; L318-Y337 HydrophobicContact CD1-CD1 4.23Å; L318-Y337 HydrophobicContact CD1-CG 4.46Å; A322-Y337 HydrophobicContact CB-CD2 4.26Å; A322-Y337 HydrophobicContact CB-CE2 3.88Å; L335-Y337 HydrophobicContact CB-CE2 3.69Å; L335-Y337 VanDerWaalsContact CD1-OH 3.29Å; L335-Y337 WeakPolarHBondContact CD1-OH 3.43Å; Y337-C339 PolarHBondContact O-N 2.99Å; Y337-C339 VanDerWaalsContact O-N 3.12Å; Y337-N439 HydrophobicContact CD1-CB 3.73Å; Y337-N439 HydrophobicContact CE1-CB 3.81Å; Y337-N439 WeakPolarHBondContact CE1-O 3.45Å; Y337-M440 HydrophobicContact CD1-CG 4.3Å; Y337-L443 HydrophobicContact CD1-CD2 4.23Å; Y337-L443 HydrophobicContact CE1-CB 3.94Å; Y337-L443 HydrophobicContact CE1-CD2 3.66Å; Y337-L443 HydrophobicContact CE1-CG 4.41Å
338N98.3Very high94.9Very high0 Ų043.3 Ų43.30%024%0.235CC..EExtended strand (participates in β ladder)trans-80.290.2175.3-73.8-24.9000109.8I197 E199 R262 T340 N436I197-N338 PolarHBondContact O-ND2 3.08Å; I197-N338 VanDerWaalsContact O-ND2 3.14Å; E199-N338 HydrophobicContact CG-CB 4.02Å; E199-N338 WeakPolarHBondContact CG-ND2 3.34Å; E199-N338 PolarHBondContact OE1-N 2.88Å; R262-N338 WeakPolarHBondContact CD-OD1 3.3Å; N338-T340 VanDerWaalsContact C-N 3.33Å; N338-T340 HydrophobicContact CB-CG2 4.32Å; N338-T340 PolarHBondContact O-N 3.1Å; N338-N436 WeakPolarHBondContact CB-O 3.28Å; N338-N436 PolarHBondContact ND2-O 3.28Å
339C98.1Very high94.8Very high0 Ų041.6 Ų41.60%022%0.222CC..EExtended strand (participates in β ladder)trans-77.181.8179.5-162.70000111I261 R262 P263 S264 L318 Y337 M440I261-C339 HydrophobicContact CG2-CB 4.23Å; R262-C339 PolarHBondContact O-N 3.4Å; P263-C339 WeakPolarHBondContact CA-O 3.49Å; S264-C339 PolarHBondContact N-O 3.18Å; S264-C339 VanDerWaalsContact N-O 3.07Å; L318-C339 HydrophobicContact CD2-CB 3.49Å; L318-C339 VanDerWaalsContact CD2-CB 3.49Å; L318-C339 VanDerWaalsContact CD2-SG 3.51Å; Y337-C339 PolarHBondContact O-N 2.99Å; Y337-C339 VanDerWaalsContact O-N 3.12Å; C339-M440 VanDerWaalsContact CA-SD 3.56Å; C339-M440 HydrophobicContact CB-SD 4.29Å
340T97.3Very high94.8Very high0 Ų040 Ų400%022%0.222CC..  trans-133.2163.8-172.269.10000111.2A188 N338 W435A188-T340 HydrophobicContact CB-CG2 3.69Å; N338-T340 VanDerWaalsContact C-N 3.33Å; N338-T340 HydrophobicContact CB-CG2 4.32Å; N338-T340 PolarHBondContact O-N 3.1Å; T340-W435 HydrophobicContact CG2-CB 4.22Å; T340-W435 HydrophobicContact CG2-CD2 3.85Å; T340-W435 HydrophobicContact CG2-CE3 4.38Å; T340-W435 HydrophobicContact CG2-CG 3.74Å; T340-W435 WeakPolarHBondContact OG1-CB 3.26Å
341T96.1Very high94.8Very high0 Ų036.9 Ų36.90%021%0.213CC..SBendtrans-109.3-25.917748.50000112.9L309 I310 G343 I344 N345 V459 W464L309-T341 WeakPolarHBondContact O-CG2 3.44Å; L309-T341 PolarHBondContact O-OG1 2.99Å; I310-T341 HydrophobicContact CD1-CG2 3.69Å; T341-G343 PolarHBondContact O-N 2.74Å; T341-I344 PolarHBondContact O-N 3.31Å; T341-N345 CarbonylContact O-C 3.56Å; T341-N345 PolarHBondContact O-N 3.33Å; T341-V459 HydrophobicContact CG2-CB 4Å; T341-V459 HydrophobicContact CG2-CG1 3.95Å; T341-V459 HydrophobicContact CG2-CG2 4.22Å; T341-W464 HydrophobicContact CG2-CH2 4.04Å; T341-W464 HydrophobicContact CG2-CZ2 4.03Å
342G90.3Very high94.9Very high12 Ų1235.7 Ų35.712%0.12421%0.205CC..THydrogen-bonded Turntrans-61.1-39.3-166.700000115.2D308 I344D308-G342 WeakPolarHBondContact OD1-CA 3.36Å; D308-G342 PolarHBondContact OD1-N 3.27Å; G342-I344 VanDerWaalsContact C-N 3.29Å; G342-I344 PolarHBondContact O-N 3.08Å
343G89.1Confident95.1Very high56 Ų5628 Ų2858%0.57717%0.172SC*.THydrogen-bonded Turntrans-76.7-11.5177.400000114.7T341T341-G343 PolarHBondContact O-N 2.74Å
344I93.5Very high95.3Very high57 Ų5729.4 Ų29.429%0.29217%0.172SC..THydrogen-bonded Turntrans-120.5-45.4-166.8-58175.9000112T341 G342 V459 R460T341-I344 PolarHBondContact O-N 3.31Å; G342-I344 VanDerWaalsContact C-N 3.29Å; G342-I344 PolarHBondContact O-N 3.08Å; I344-V459 HydrophobicContact CB-CG2 3.91Å; I344-V459 HydrophobicContact CD1-CG2 4.16Å; I344-V459 HydrophobicContact CG2-CG2 3.7Å; I344-R460 HydrophobicContact CG2-CG 3.3Å
345N96Very high95.4Very high32 Ų3230.6 Ų30.617%0.17118%0.176CC..SBendtrans-144.772-178.6-174.712000109.1T341 V459 L462 W464T341-N345 CarbonylContact O-C 3.56Å; T341-N345 PolarHBondContact O-N 3.33Å; N345-V459 PolarHBondContact ND2-O 3.14Å; N345-L462 PolarHBondContact ND2-O 3.27Å; N345-W464 WeakPolarHBondContact O-CZ2 3.28Å; N345-W464 PolarHBondContact O-NE1 2.9Å; N345-W464 VanDerWaalsContact O-NE1 3.08Å; N345-W464 PolarHBondContact OD1-NE1 3.19Å
346P95Very high95.4Very high64 Ų6429.7 Ų29.742%0.41617%0.171SC..  trans-62.8147.9-171.224.7-34.2000112.7V306V306-P346 HydrophobicContact CG2-CB 4.13Å
347F95.3Very high95.3Very high0 Ų030.3 Ų30.30%017%0.174CC..  trans-145.9131.5177.1-175-133.5000109.7A307 E351 I352 H355 W464 I468A307-F347 PolarHBondContact N-O 3.24Å; F347-E351 HydrophobicContact CD2-CB 3.81Å; F347-E351 HydrophobicContact CD2-CG 4.5Å; F347-E351 HydrophobicContact CE2-CB 3.32Å; F347-E351 HydrophobicContact CE2-CG 4.36Å; F347-E351 HydrophobicContact CZ-CB 4.02Å; F347-I352 HydrophobicContact CD1-CD1 4.08Å; F347-I352 HydrophobicContact CD1-CG1 3.66Å; F347-I352 HydrophobicContact CE1-CB 4.3Å; F347-I352 HydrophobicContact CE1-CD1 3.99Å; F347-I352 HydrophobicContact CE1-CG1 3.14Å; F347-I352 HydrophobicContact CZ-CG1 3.78Å; F347-H355 AromaticContact CE2-CD2 3.9Å; F347-H355 AromaticContact CZ-CD2 3.92Å; F347-W464 HydrophobicContact CB-CD2 3.65Å; F347-W464 VanDerWaalsContact CB-CE2 3.4Å; F347-W464 HydrophobicContact CB-CE3 4.18Å; F347-W464 HydrophobicContact CB-CG 3.98Å; F347-W464 HydrophobicContact CB-CH2 4.21Å; F347-W464 HydrophobicContact CB-CZ2 3.7Å; F347-W464 HydrophobicContact CB-CZ3 4.45Å; F347-W464 AromaticContact CD1-CD2 3.72Å; F347-W464 HydrophobicContact CD1-CD2 3.72Å; F347-W464 AromaticContact CD1-CE3 3.47Å; F347-W464 HydrophobicContact CD1-CE3 3.47Å; F347-W464 VanDerWaalsContact CD1-CE3 3.47Å; F347-W464 HydrophobicContact CD1-CG 4.21Å; F347-W464 HydrophobicContact CD1-CH2 4.35Å; F347-W464 AromaticContact CD1-CZ3 3.83Å; F347-W464 HydrophobicContact CD1-CZ3 3.83Å; F347-W464 HydrophobicContact CD2-CB 3.73Å; F347-W464 AromaticContact CD2-CD1 3.99Å; F347-W464 HydrophobicContact CD2-CD2 4.01Å; F347-W464 AromaticContact CD2-CG 3.65Å; F347-W464 HydrophobicContact CD2-CG 3.65Å; F347-W464 HydrophobicContact CE1-CB 4.46Å; F347-W464 HydrophobicContact CE1-CD2 4.28Å; F347-W464 AromaticContact CE1-CE3 3.83Å; F347-W464 HydrophobicContact CE1-CE3 3.83Å; F347-W464 HydrophobicContact CE1-CZ3 4.4Å; F347-W464 HydrophobicContact CE2-CB 3.67Å; F347-W464 HydrophobicContact CE2-CG 4.1Å; F347-W464 HydrophobicContact CG-CB 4.2Å; F347-W464 AromaticContact CG-CD2 3.56Å; F347-W464 HydrophobicContact CG-CD2 3.56Å; F347-W464 AromaticContact CG-CE2 3.9Å; F347-W464 AromaticContact CG-CE3 3.85Å; F347-W464 HydrophobicContact CG-CE3 3.85Å; F347-W464 AromaticContact CG-CG 3.72Å; F347-W464 HydrophobicContact CG-CG 3.72Å; F347-W464 HydrophobicContact CG-CZ2 4.42Å; F347-W464 HydrophobicContact CG-CZ3 4.39Å; F347-W464 HydrophobicContact CZ-CB 4.08Å; F347-I468 HydrophobicContact CE1-CD1 3.92Å; F347-I468 HydrophobicContact CE1-CG1 3.73Å; F347-I468 HydrophobicContact CZ-CG1 3.85Å
348H95.8Very high95.2Very high60 Ų6031.8 Ų31.828%0.27818%0.184SC..BIsolated β-bridgetrans-102.2155.4-168.6-54.781.3000112.8D304 A305 G350 E351 I352D304-H348 PolarHBondContact O-CD2 3.1Å; D304-H348 VanDerWaalsContact O-CD2 3.28Å; A305-H348 WeakPolarHBondContact O-CA 3.12Å; H348-G350 PolarHBondContact O-N 3.44Å; H348-E351 HydrophobicContact CB-CG 4.32Å; H348-E351 WeakPolarHBondContact CB-OE2 3.43Å; H348-E351 IonicContact CE1-OE2 3.29Å; H348-E351 IonicContact CG-OE2 2.73Å; H348-E351 PolarHBondContact N-OE2 2.96Å; H348-E351 IonicContact ND1-OE2 3.07Å; H348-E351 PolarHBondContact ND1-OE2 3.45Å; H348-E351 WeakPolarHBondContact O-CB 3.25Å; H348-E351 PolarHBondContact O-N 2.92Å; H348-I352 PolarHBondContact O-N 3.41Å
349W94.2Very high95.1Very high24 Ų2431.8 Ų31.89%0.09118%0.184CC..Hα-helixtrans-59.2-34178.4-72.2106.5000113.2I265 M299 A301 A305 A307 E351 I352 E353I265-W349 HydrophobicContact CD1-CH2 4.34Å; I265-W349 HydrophobicContact CD1-CZ2 4.27Å; M299-W349 HydrophobicContact CE-CE3 4.47Å; A301-W349 HydrophobicContact CB-CB 4.47Å; A301-W349 HydrophobicContact CB-CG 4.32Å; A305-W349 VanDerWaalsContact O-CD1 3.28Å; A305-W349 PolarHBondContact O-N 3.5Å; A307-W349 HydrophobicContact CB-CD2 3.55Å; A307-W349 VanDerWaalsContact CB-CE2 3.42Å; A307-W349 HydrophobicContact CB-CE3 3.97Å; A307-W349 HydrophobicContact CB-CG 3.94Å; A307-W349 HydrophobicContact CB-CH2 4.16Å; A307-W349 HydrophobicContact CB-CZ2 3.76Å; A307-W349 HydrophobicContact CB-CZ3 4.25Å; W349-E351 VanDerWaalsContact C-N 3.3Å; W349-E351 PolarHBondContact O-N 3.2Å; W349-I352 HydrophobicContact CD2-CD1 4.28Å; W349-I352 HydrophobicContact CE3-CB 4.46Å; W349-I352 HydrophobicContact CE3-CD1 3.6Å; W349-I352 HydrophobicContact CE3-CG2 4.46Å; W349-I352 HydrophobicContact CH2-CD1 4.44Å; W349-I352 HydrophobicContact CZ3-CD1 3.69Å; W349-I352 WeakPolarHBondContact O-CB 3.36Å; W349-I352 PolarHBondContact O-N 3.49Å; W349-E353 PolarHBondContact O-N 3.34Å; W349-E353 VanDerWaalsContact O-N 3.08Å
350G93.4Very high95Very high27 Ų2731.8 Ų31.828%0.27818%0.184SC..Hα-helixtrans-62.4-35.917400000113.2N303 H348 H354N303-G350 PolarHBondContact O-N 3.37Å; H348-G350 PolarHBondContact O-N 3.44Å; G350-H354 PolarHBondContact O-N 3Å
351E95.4Very high94.8Very high77 Ų7737.3 Ų37.336%0.3621%0.208SC..Hα-helixtrans-73.1-38.8176.8-57.5177.786.300111.2F347 H348 W349 E353 H354 H355F347-E351 HydrophobicContact CD2-CB 3.81Å; F347-E351 HydrophobicContact CD2-CG 4.5Å; F347-E351 HydrophobicContact CE2-CB 3.32Å; F347-E351 HydrophobicContact CE2-CG 4.36Å; F347-E351 HydrophobicContact CZ-CB 4.02Å; H348-E351 HydrophobicContact CB-CG 4.32Å; H348-E351 WeakPolarHBondContact CB-OE2 3.43Å; H348-E351 IonicContact CE1-OE2 3.29Å; H348-E351 IonicContact CG-OE2 2.73Å; H348-E351 PolarHBondContact N-OE2 2.96Å; H348-E351 IonicContact ND1-OE2 3.07Å; H348-E351 PolarHBondContact ND1-OE2 3.45Å; H348-E351 WeakPolarHBondContact O-CB 3.25Å; H348-E351 PolarHBondContact O-N 2.92Å; W349-E351 VanDerWaalsContact C-N 3.3Å; W349-E351 PolarHBondContact O-N 3.2Å; E351-E353 VanDerWaalsContact C-N 3.34Å; E351-E353 PolarHBondContact O-N 2.99Å; E351-H354 WeakPolarHBondContact O-CB 3.46Å; E351-H354 PolarHBondContact O-N 2.94Å; E351-H355 PolarHBondContact O-CD2 3.11Å; E351-H355 PolarHBondContact O-N 3.06Å
352I94.8Very high94.6Very high7 Ų742.3 Ų42.34%0.03623%0.227CC..Hα-helixtrans-54.8-49.8171.7-72.4175.4000110.8F288 A307 F347 H348 W349 H354 H355 V356F288-I352 HydrophobicContact CE1-CG2 3.76Å; F288-I352 HydrophobicContact CZ-CG2 4.01Å; A307-I352 HydrophobicContact CB-CD1 3.21Å; A307-I352 HydrophobicContact CB-CG1 4.36Å; F347-I352 HydrophobicContact CD1-CD1 4.08Å; F347-I352 HydrophobicContact CD1-CG1 3.66Å; F347-I352 HydrophobicContact CE1-CB 4.3Å; F347-I352 HydrophobicContact CE1-CD1 3.99Å; F347-I352 HydrophobicContact CE1-CG1 3.14Å; F347-I352 HydrophobicContact CZ-CG1 3.78Å; H348-I352 PolarHBondContact O-N 3.41Å; W349-I352 HydrophobicContact CD2-CD1 4.28Å; W349-I352 HydrophobicContact CE3-CB 4.46Å; W349-I352 HydrophobicContact CE3-CD1 3.6Å; W349-I352 HydrophobicContact CE3-CG2 4.46Å; W349-I352 HydrophobicContact CH2-CD1 4.44Å; W349-I352 HydrophobicContact CZ3-CD1 3.69Å; W349-I352 WeakPolarHBondContact O-CB 3.36Å; W349-I352 PolarHBondContact O-N 3.49Å; I352-H354 VanDerWaalsContact C-N 3.28Å; I352-H354 PolarHBondContact O-N 3.22Å; I352-H355 PolarHBondContact O-N 3.49Å; I352-V356 HydrophobicContact CG2-CG2 3.89Å; I352-V356 VanDerWaalsContact O-CB 3.29Å; I352-V356 WeakPolarHBondContact O-CB 3.45Å; I352-V356 WeakPolarHBondContact O-CG2 3.2Å; I352-V356 PolarHBondContact O-N 2.68Å
353E94.4Very high94.9Very high43 Ų4343 Ų4320%0.20123%0.228CC..Hα-helixtrans-52.8-50.7177.7-178.6-173.1152.100110.5W349 E351 M357 N375 I376W349-E353 PolarHBondContact O-N 3.34Å; W349-E353 VanDerWaalsContact O-N 3.08Å; E351-E353 VanDerWaalsContact C-N 3.34Å; E351-E353 PolarHBondContact O-N 2.99Å; E353-M357 HydrophobicContact CG-CG 4.36Å; E353-M357 VanDerWaalsContact O-CB 3.23Å; E353-M357 WeakPolarHBondContact O-CB 3.1Å; E353-M357 WeakPolarHBondContact O-CG 3.25Å; E353-M357 PolarHBondContact O-N 2.93Å; E353-N375 WeakPolarHBondContact OE1-CA 3.5Å; E353-N375 PolarHBondContact OE1-ND2 3.49Å; E353-I376 HydrophobicContact CB-CD1 3.91Å; E353-I376 HydrophobicContact CB-CG1 3.99Å; E353-I376 HydrophobicContact CG-CG1 4.28Å; E353-I376 WeakPolarHBondContact OE2-CA 3.24Å; E353-I376 WeakPolarHBondContact OE2-CB 3.18Å; E353-I376 PolarHBondContact OE2-N 3.4Å
354H95.8Very high95.2Very high122 Ų12240.3 Ų40.357%0.56520%0.201SC*.Hα-helixtrans-59.1-53.5-178.2-178.787.1000111.8G350 E351 I352 M357 S358G350-H354 PolarHBondContact O-N 3Å; E351-H354 WeakPolarHBondContact O-CB 3.46Å; E351-H354 PolarHBondContact O-N 2.94Å; I352-H354 VanDerWaalsContact C-N 3.28Å; I352-H354 PolarHBondContact O-N 3.22Å; H354-M357 PolarHBondContact O-N 3.48Å; H354-S358 VanDerWaalsContact O-CB 3.23Å; H354-S358 WeakPolarHBondContact O-CB 3.21Å; H354-S358 PolarHBondContact O-N 3.22Å
355H97.1Very high95.4Very high38 Ų3837.7 Ų37.718%0.17619%0.187CC..Hα-helixtrans-68.8-41.3-174.8-72.7-63.7000112.7F347 E351 I352 S358 S359 I468F347-H355 AromaticContact CE2-CD2 3.9Å; F347-H355 AromaticContact CZ-CD2 3.92Å; E351-H355 PolarHBondContact O-CD2 3.11Å; E351-H355 PolarHBondContact O-N 3.06Å; I352-H355 PolarHBondContact O-N 3.49Å; H355-S358 PolarHBondContact O-N 2.83Å; H355-S359 WeakPolarHBondContact O-CB 3.37Å; H355-S359 PolarHBondContact O-N 2.98Å; H355-I468 HydrophobicContact CB-CB 4.02Å; H355-I468 HydrophobicContact CB-CG2 3.64Å
356V97Very high95.3Very high4 Ų438.1 Ų38.12%0.02419%0.188CC..Hα-helixtrans-64.6-45.2176.8176.60000110.6F288 I352 S358 S359 F360 I468F288-V356 HydrophobicContact CB-CG1 4.29Å; F288-V356 HydrophobicContact CD1-CG1 4.05Å; F288-V356 HydrophobicContact CD1-CG2 3.84Å; F288-V356 HydrophobicContact CD2-CG2 4.24Å; F288-V356 HydrophobicContact CE1-CG2 3.64Å; F288-V356 HydrophobicContact CE2-CG2 4.04Å; F288-V356 HydrophobicContact CG-CG1 4.13Å; F288-V356 HydrophobicContact CG-CG2 4.15Å; F288-V356 HydrophobicContact CZ-CG2 3.74Å; I352-V356 HydrophobicContact CG2-CG2 3.89Å; I352-V356 VanDerWaalsContact O-CB 3.29Å; I352-V356 WeakPolarHBondContact O-CB 3.45Å; I352-V356 WeakPolarHBondContact O-CG2 3.2Å; I352-V356 PolarHBondContact O-N 2.68Å; V356-S358 VanDerWaalsContact C-N 3.34Å; V356-S358 PolarHBondContact O-N 3.4Å; V356-S359 PolarHBondContact O-N 2.69Å; V356-F360 HydrophobicContact CG1-CD2 3.75Å; V356-F360 HydrophobicContact CG1-CE2 3.59Å; V356-F360 WeakPolarHBondContact O-CD2 3.44Å; V356-F360 PolarHBondContact O-N 3.32Å; V356-I468 HydrophobicContact CG2-CG2 3.62Å
357M95.6Very high95.2Very high13 Ų1343 Ų436%0.06421%0.206CC..Hα-helixtrans-67.1-35.9177.8-69.7-58.496.200112.4A291 E353 H354 F360 K361 P372 A374A291-M357 HydrophobicContact CB-CE 3.52Å; E353-M357 HydrophobicContact CG-CG 4.36Å; E353-M357 VanDerWaalsContact O-CB 3.23Å; E353-M357 WeakPolarHBondContact O-CB 3.1Å; E353-M357 WeakPolarHBondContact O-CG 3.25Å; E353-M357 PolarHBondContact O-N 2.93Å; H354-M357 PolarHBondContact O-N 3.48Å; M357-F360 HydrophobicContact CE-CD2 4.46Å; M357-K361 WeakPolarHBondContact O-CD 3.27Å; M357-K361 WeakPolarHBondContact O-CG 3.32Å; M357-K361 PolarHBondContact O-N 3.04Å; M357-P372 HydrophobicContact SD-CB 4.07Å; M357-A374 HydrophobicContact CE-CB 4.2Å; M357-A374 HydrophobicContact SD-CB 4.13Å; M357-A374 PolarHBondContact SD-N 2.92Å
358S95.9Very high95.1Very high31 Ų3143.1 Ų43.122%0.21721%0.206CC..Hα-helixtrans-65.8-46.7174.9-165.70000111.1H354 H355 V356 F360 K361 R362H354-S358 VanDerWaalsContact O-CB 3.23Å; H354-S358 WeakPolarHBondContact O-CB 3.21Å; H354-S358 PolarHBondContact O-N 3.22Å; H355-S358 PolarHBondContact O-N 2.83Å; V356-S358 VanDerWaalsContact C-N 3.34Å; V356-S358 PolarHBondContact O-N 3.4Å; S358-F360 PolarHBondContact O-N 2.92Å; S358-K361 WeakPolarHBondContact O-CB 3.42Å; S358-K361 PolarHBondContact O-N 2.99Å; S358-K361 VanDerWaalsContact O-N 3.15Å; S358-R362 PolarHBondContact O-N 3.42Å; S358-R362 VanDerWaalsContact O-N 3.11Å; S358-R362 PolarHBondContact OG-NH1 3Å
359S96.6Very high94.9Very high0 Ų044.1 Ų44.10%021%0.21CC..Hα-helixtrans-59.7-49.5178.8-175.50000111.9H355 V356 K361 R362 N363 C472H355-S359 WeakPolarHBondContact O-CB 3.37Å; H355-S359 PolarHBondContact O-N 2.98Å; V356-S359 PolarHBondContact O-N 2.69Å; S359-K361 PolarHBondContact O-N 3.49Å; S359-R362 CarbonylContact O-C 3.32Å; S359-R362 PolarHBondContact O-N 3.09Å; S359-N363 PolarHBondContact O-N 3Å; S359-C472 VanDerWaalsContact OG-CB 3.22Å; S359-C472 WeakPolarHBondContact OG-CB 3.36Å
360F96.6Very high94.8Very high1 Ų145.3 Ų45.30%0.00421%0.214CC..Hα-helixtrans-71.5-13.8178.4-69.7-52.4000114.8F288 V356 M357 S358 P364 L365 P372 C472F288-F360 HydrophobicContact CB-CE2 4.15Å; F288-F360 HydrophobicContact CB-CZ 4.36Å; F288-F360 WeakPolarHBondContact O-CE2 3.4Å; V356-F360 HydrophobicContact CG1-CD2 3.75Å; V356-F360 HydrophobicContact CG1-CE2 3.59Å; V356-F360 WeakPolarHBondContact O-CD2 3.44Å; V356-F360 PolarHBondContact O-N 3.32Å; M357-F360 HydrophobicContact CE-CD2 4.46Å; S358-F360 PolarHBondContact O-N 2.92Å; F360-P364 WeakPolarHBondContact O-CA 3.45Å; F360-P364 WeakPolarHBondContact O-CB 3.46Å; F360-L365 HydrophobicContact CD1-CD1 4.26Å; F360-L365 HydrophobicContact CD1-CD2 4.14Å; F360-L365 HydrophobicContact CD1-CG 3.79Å; F360-L365 HydrophobicContact CE1-CD1 3.83Å; F360-L365 HydrophobicContact CE1-CD2 3.69Å; F360-L365 HydrophobicContact CE1-CG 3.65Å; F360-L365 HydrophobicContact CZ-CD1 4.2Å; F360-L365 HydrophobicContact CZ-CG 4.49Å; F360-P372 HydrophobicContact CB-CB 4.07Å; F360-P372 HydrophobicContact CB-CG 3.86Å; F360-C472 HydrophobicContact CD1-CB 4.46Å; F360-C472 HydrophobicContact CE1-CB 3.9Å; F360-C472 HydrophobicContact CE2-CB 4.37Å; F360-C472 HydrophobicContact CZ-CB 3.86Å
361K92.4Very high94.8Very high115 Ų11547.5 Ų47.550%0.521%0.214SC..Hα-helixtrans-76.4-37.3167.2-74.6166.5-171.7169.10111.3M357 S358 S359M357-K361 WeakPolarHBondContact O-CD 3.27Å; M357-K361 WeakPolarHBondContact O-CG 3.32Å; M357-K361 PolarHBondContact O-N 3.04Å; S358-K361 WeakPolarHBondContact O-CB 3.42Å; S358-K361 PolarHBondContact O-N 2.99Å; S358-K361 VanDerWaalsContact O-N 3.15Å; S359-K361 PolarHBondContact O-N 3.49Å
362R93.4Very high94.8Very high106 Ų10644.1 Ų44.140%0.420%0.199SC..Hα-helixtrans-75.1-48.9176-67.7-165.8-69.4-107.68.6111.8S358 S359 P364 E469 R491S358-R362 PolarHBondContact O-N 3.42Å; S358-R362 VanDerWaalsContact O-N 3.11Å; S358-R362 PolarHBondContact OG-NH1 3Å; S359-R362 CarbonylContact O-C 3.32Å; S359-R362 PolarHBondContact O-N 3.09Å; R362-P364 VanDerWaalsContact C-CD 3.44Å; R362-P364 WeakPolarHBondContact O-CD 3.33Å; R362-E469 IonicContact CZ-OE1 3.83Å; R362-E469 IonicContact CZ-OE2 2.68Å; R362-E469 IonicContact NE-OE1 2.73Å; R362-E469 PolarHBondContact NE-OE1 2.88Å; R362-E469 IonicContact NE-OE2 2.74Å; R362-E469 IonicContact NH2-OE1 3.42Å; R362-E469 PolarHBondContact NH2-OE1 3.07Å; R362-E469 VanDerWaalsContact NH2-OE1 3.09Å; R362-E469 IonicContact NH2-OE2 3.48Å; R362-E469 PolarHBondContact NH2-OE2 3.22Å; R362-R491 VanDerWaalsContact O-CZ 3.3Å; R362-R491 PolarHBondContact O-NE 3.34Å; R362-R491 PolarHBondContact O-NH2 3.46Å
363N95.1Very high94.6Very high25 Ų2546.8 Ų46.813%0.13421%0.213CC..SBendtrans-119.571.3-173.8-55.8-53.3000109.4S359 E469 I473S359-N363 PolarHBondContact O-N 3Å; N363-E469 PolarHBondContact ND2-OE1 3.4Å; N363-I473 HydrophobicContact CB-CG1 4.31Å
364P96.3Very high94.6Very high1 Ų145.3 Ų45.31%0.00621%0.208CC..PPolyproline II helixtrans-68.4145.3-174.429-36.4000112.8F360 R362 A490 R491 L494F360-P364 WeakPolarHBondContact O-CA 3.45Å; F360-P364 WeakPolarHBondContact O-CB 3.46Å; R362-P364 VanDerWaalsContact C-CD 3.44Å; R362-P364 WeakPolarHBondContact O-CD 3.33Å; P364-A490 HydrophobicContact CB-CB 4.25Å; P364-A490 HydrophobicContact CG-CB 3.8Å; P364-R491 HydrophobicContact CG-CB 4.42Å; P364-R491 HydrophobicContact CG-CG 3.62Å; P364-L494 HydrophobicContact CB-CD1 3.44Å; P364-L494 VanDerWaalsContact CB-CD1 3.44Å; P364-L494 HydrophobicContact CB-CG 4.02Å; P364-L494 HydrophobicContact CG-CD1 4.24Å
365L96.8Very high94.5Very high1 Ų142.8 Ų42.81%0.00520%0.199CC..PPolyproline II helixtrans-70.4145.7169-58.4-178.8000110.3I289 K293 F360 K476 L480 E482I289-L365 HydrophobicContact CG2-CD1 4.47Å; K293-L365 HydrophobicContact CD-CB 4.05Å; K293-L365 HydrophobicContact CD-CD1 4.28Å; K293-L365 HydrophobicContact CG-CD1 3.95Å; F360-L365 HydrophobicContact CD1-CD1 4.26Å; F360-L365 HydrophobicContact CD1-CD2 4.14Å; F360-L365 HydrophobicContact CD1-CG 3.79Å; F360-L365 HydrophobicContact CE1-CD1 3.83Å; F360-L365 HydrophobicContact CE1-CD2 3.69Å; F360-L365 HydrophobicContact CE1-CG 3.65Å; F360-L365 HydrophobicContact CZ-CD1 4.2Å; F360-L365 HydrophobicContact CZ-CG 4.49Å; L365-K476 HydrophobicContact CD2-CB 3.63Å; L365-K476 HydrophobicContact CD2-CD 4.35Å; L365-K476 HydrophobicContact CD2-CG 3.93Å; L365-L480 HydrophobicContact CD1-CD1 3.81Å; L365-L480 HydrophobicContact CD2-CD1 3.77Å; L365-L480 HydrophobicContact CG-CD1 4.27Å; L365-E482 WeakPolarHBondContact CA-OE2 3.48Å
366E95.4Very high94.3Very high42 Ų4242 Ų4220%0.19620%0.196CC..THydrogen-bonded Turntrans-65.6156.4176-72.5162.2-133.300111.1K293 A368 K476 E482 D486 A490K293-E366 PolarHBondContact NZ-O 2.98Å; E366-A368 PolarHBondContact O-N 3.39Å; E366-K476 IonicContact OE1-NZ 3.62Å; E366-K476 PolarHBondContact OE1-NZ 2.65Å; E366-E482 HydrophobicContact CB-CG 4.27Å; E366-E482 HydrophobicContact CG-CG 4.34Å; E366-E482 PolarHBondContact N-OE1 3.37Å; E366-E482 PolarHBondContact N-OE2 2.85Å; E366-E482 VanDerWaalsContact OE1-CB 3.24Å; E366-E482 WeakPolarHBondContact OE1-CB 3.38Å; E366-D486 HydrophobicContact CG-CB 4.37Å; E366-A490 HydrophobicContact CG-CB 4.29Å
367Q91.4Very high94.1Very high167 Ų16743 Ų4378%0.7820%0.202SC*.THydrogen-bonded Turntrans48.232.1174.3-54.5-176.95.200114.5F369Q367-F369 PolarHBondContact O-N 3.38Å
368A93.9Very high93.9Very high2 Ų245.7 Ų45.72%0.01722%0.222CC..  trans-55.7130.1178.600000110.1E366 R370 H493 L494 L497E366-A368 PolarHBondContact O-N 3.39Å; A368-R370 VanDerWaalsContact C-N 3.32Å; A368-H493 PolarHBondContact O-NE2 3Å; A368-L494 HydrophobicContact CB-CD2 3.79Å; A368-L497 VanDerWaalsContact O-CD1 3.31Å; A368-L497 WeakPolarHBondContact O-CD1 3.08Å
369F91.6Very high93.7Very high80 Ų8047.4 Ų47.435%0.35123%0.229SC..SBendtrans-64.2-41.1179.1176.9-110.2000110.7K293 I295 Q367 M411K293-F369 WeakPolarHBondContact O-CB 3.46Å; K293-F369 PolarHBondContact O-N 2.92Å; I295-F369 HydrophobicContact CG1-CB 4.16Å; Q367-F369 PolarHBondContact O-N 3.38Å; F369-M411 HydrophobicContact CD1-CE 4.5Å; F369-M411 HydrophobicContact CE1-CE 4Å; F369-M411 HydrophobicContact CE2-CE 4Å; F369-M411 HydrophobicContact CZ-CE 3.73Å
370R92.7Very high93.5Very high50 Ų5053.1 Ų53.119%0.18925%0.251CS..SBendtrans-141.1168.1173.2-67.4178.6-71.1-164.1-5.7109.6K293 G294 I295 R297 A368 S390K293-R370 PolarHBondContact O-N 3.41Å; G294-R370 WeakPolarHBondContact CA-O 3.43Å; G294-R370 PolarHBondContact O-NE 2.92Å; G294-R370 PolarHBondContact O-NH2 3.15Å; I295-R370 PolarHBondContact O-NH2 3.37Å; I295-R370 VanDerWaalsContact O-NH2 3.09Å; R297-R370 VanDerWaalsContact CG-NH2 3.29Å; A368-R370 VanDerWaalsContact C-N 3.32Å; R370-S390 PolarHBondContact NH1-O 3.21Å; R370-S390 PolarHBondContact NH2-O 3Å
371R93.3Very high93.4Very high73 Ų7359.2 Ų59.228%0.27528%0.283SS..  trans-60.5135.8171.1-64.2-17471.2-152.3-1.7110.5R297 N373 L494 L497R297-R371 PolarHBondContact NH1-O 3.22Å; R371-N373 PolarHBondContact O-N 3.31Å; R371-L494 HydrophobicContact CG-CD2 4.37Å; R371-L497 HydrophobicContact CG-CB 4.05Å
372P94.1Very high93.4Very high6 Ų657.4 Ų57.44%0.03928%0.278CS..SBendtrans-55.1120.2173.8-11.114.5000110.2G292 M357 F360 L494G292-P372 WeakPolarHBondContact O-CG 3.24Å; M357-P372 HydrophobicContact SD-CB 4.07Å; F360-P372 HydrophobicContact CB-CB 4.07Å; F360-P372 HydrophobicContact CB-CG 3.86Å; P372-L494 HydrophobicContact CG-CD1 4.4Å
373N92.3Very high93.5Very high63 Ų6352.9 Ų52.934%0.33726%0.262SS..  trans-17064.7176.6-174.195.3000107.6R297 R371 N375R297-N373 VanDerWaalsContact CZ-O 3.26Å; R297-N373 PolarHBondContact NE-O 2.96Å; R297-N373 PolarHBondContact NH2-ND2 3.29Å; R371-N373 PolarHBondContact O-N 3.31Å; N373-N375 PolarHBondContact ND2-OD1 3.1Å
374A93.9Very high93.4Very high11 Ų1154.9 Ų54.99%0.09127%0.27CS..  trans-85.5141.6167.700000108.5A291 L296 R297 M357A291-A374 HydrophobicContact CB-CB 3.75Å; L296-A374 HydrophobicContact CG-CB 4.37Å; R297-A374 WeakPolarHBondContact O-CA 3.3Å; M357-A374 HydrophobicContact CE-CB 4.2Å; M357-A374 HydrophobicContact SD-CB 4.13Å; M357-A374 PolarHBondContact SD-N 2.92Å
375N93.3Very high93.4Very high70 Ų7061 Ų6137%0.37429%0.294SS..EExtended strand (participates in β ladder)trans-122.8140.6177.4-72.987.1000109.9R297 T298 M299 E353 N373R297-N375 PolarHBondContact O-N 2.74Å; T298-N375 CarbonylContact C-O 3.55Å; T298-N375 VanDerWaalsContact CA-O 3.25Å; T298-N375 WeakPolarHBondContact CA-O 3.5Å; M299-N375 PolarHBondContact N-O 2.97Å; E353-N375 WeakPolarHBondContact OE1-CA 3.5Å; E353-N375 PolarHBondContact OE1-ND2 3.49Å; N373-N375 PolarHBondContact ND2-OD1 3.1Å
376I92.9Very high93.3Very high22 Ų2266.1 Ų66.111%0.11331%0.314CS..EExtended strand (participates in β ladder)trans-102.7132.7175.2-56.2-172.7000107.9M299 A301 N303 E353M299-I376 HydrophobicContact CE-CD1 4.49Å; M299-I376 WeakPolarHBondContact O-CA 3.49Å; A301-I376 HydrophobicContact CB-CG2 3.36Å; N303-I376 PolarHBondContact ND2-O 2.89Å; N303-I376 WeakPolarHBondContact OD1-CB 3.19Å; N303-I376 WeakPolarHBondContact OD1-CG2 3.33Å; N303-I376 PolarHBondContact OD1-O 3.4Å; E353-I376 HydrophobicContact CB-CD1 3.91Å; E353-I376 HydrophobicContact CB-CG1 3.99Å; E353-I376 HydrophobicContact CG-CG1 4.28Å; E353-I376 WeakPolarHBondContact OE2-CA 3.24Å; E353-I376 WeakPolarHBondContact OE2-CB 3.18Å; E353-I376 PolarHBondContact OE2-N 3.4Å
377T92.3Very high93.3Very high23 Ų2364.8 Ų64.814%0.14131%0.307CS..EExtended strand (participates in β ladder)trans-141.9138.9-179.3-173.50000111.6M299 R300 A301 N379 I382 N383M299-T377 PolarHBondContact O-N 2.85Å; R300-T377 VanDerWaalsContact CA-O 3.26Å; R300-T377 WeakPolarHBondContact CA-O 3.3Å; A301-T377 PolarHBondContact N-O 3.15Å; A301-T377 CarbonylContact O-C 3.59Å; T377-N379 VanDerWaalsContact C-N 3.32Å; T377-N379 PolarHBondContact OG1-N 3.42Å; T377-I382 HydrophobicContact CG2-CG2 4.34Å; T377-N383 HydrophobicContact CG2-CB 3.78Å
378S91.6Very high93.4Very high70 Ų7061.9 Ų61.949%0.4930%0.297SS..SBendtrans-76.6-22.2172.554.90000112.4A301 Y380A301-S378 WeakPolarHBondContact O-CA 3.46Å; A301-S378 PolarHBondContact O-N 3.08Å; A301-S378 VanDerWaalsContact O-N 3.12Å; S378-Y380 PolarHBondContact O-N 3.33Å
379N92.5Very high93.4Very high68 Ų6864.5 Ų64.536%0.36431%0.313SS..  trans-82.1115.2-173.7-173.1-43000111.8T377 L381 I382 N383T377-N379 VanDerWaalsContact C-N 3.32Å; T377-N379 PolarHBondContact OG1-N 3.42Å; N379-L381 PolarHBondContact O-N 2.89Å; N379-L381 WeakPolarHBondContact OD1-CB 3.37Å; N379-L381 PolarHBondContact OD1-N 2.92Å; N379-I382 HydrophobicContact CB-CB 4.06Å; N379-I382 HydrophobicContact CB-CD1 3.9Å; N379-I382 HydrophobicContact CB-CG1 4.05Å; N379-I382 PolarHBondContact O-N 2.73Å; N379-I382 PolarHBondContact OD1-N 3.27Å; N379-N383 WeakPolarHBondContact O-CB 3.28Å; N379-N383 PolarHBondContact O-N 2.82Å
380Y91.3Very high93.5Very high120 Ų12061.5 Ų61.547%0.47130%0.302SS..Hα-helixtrans-57.2-45179.6175.4-96.5000113.1S378 N383 Q384S378-Y380 PolarHBondContact O-N 3.33Å; Y380-N383 PolarHBondContact O-N 3.28Å; Y380-Q384 HydrophobicContact CD1-CG 4.12Å; Y380-Q384 HydrophobicContact CD2-CG 4.34Å; Y380-Q384 HydrophobicContact CE1-CG 3.65Å; Y380-Q384 HydrophobicContact CE2-CG 3.91Å; Y380-Q384 VanDerWaalsContact CE2-NE2 3.33Å; Y380-Q384 HydrophobicContact CG-CG 4.44Å; Y380-Q384 WeakPolarHBondContact O-CG 3.45Å; Y380-Q384 PolarHBondContact O-N 3.01Å
381L94.3Very high93.6Very high129 Ų12959.1 Ų59.168%0.67529%0.293SS*.Hα-helixtrans-67.6-41.9-176.5-62.9177000111.6N379 N383 Q384 Y385N379-L381 PolarHBondContact O-N 2.89Å; N379-L381 WeakPolarHBondContact OD1-CB 3.37Å; N379-L381 PolarHBondContact OD1-N 2.92Å; L381-N383 VanDerWaalsContact C-N 3.34Å; L381-Q384 PolarHBondContact O-N 3.26Å; L381-Y385 WeakPolarHBondContact O-CB 3.46Å; L381-Y385 PolarHBondContact O-N 2.77Å
382I94Very high93.7Very high77 Ų7759.7 Ų59.740%0.39530%0.297SS..Hα-helixtrans-62.7-43.9175.3-65.5178.4000110T377 N379 Y385 W386T377-I382 HydrophobicContact CG2-CG2 4.34Å; N379-I382 HydrophobicContact CB-CB 4.06Å; N379-I382 HydrophobicContact CB-CD1 3.9Å; N379-I382 HydrophobicContact CB-CG1 4.05Å; N379-I382 PolarHBondContact O-N 2.73Å; N379-I382 PolarHBondContact OD1-N 3.27Å; I382-Y385 PolarHBondContact O-N 2.92Å; I382-W386 PolarHBondContact O-N 2.77Å
383N94.2Very high93.7Very high10 Ų1065.2 Ų65.25%0.05332%0.321CS..Hα-helixtrans-60.8-47.9175.9-173.549.7000111.6T298 R300 T377 N379 Y380 L381 Y385 W386 I387T298-N383 VanDerWaalsContact CG2-OD1 3.32Å; T298-N383 WeakPolarHBondContact CG2-OD1 3.4Å; T298-N383 PolarHBondContact OG1-OD1 3.21Å; R300-N383 HydrophobicContact CB-CB 4.46Å; T377-N383 HydrophobicContact CG2-CB 3.78Å; N379-N383 WeakPolarHBondContact O-CB 3.28Å; N379-N383 PolarHBondContact O-N 2.82Å; Y380-N383 PolarHBondContact O-N 3.28Å; L381-N383 VanDerWaalsContact C-N 3.34Å; N383-Y385 VanDerWaalsContact C-N 3.34Å; N383-Y385 PolarHBondContact O-N 3Å; N383-W386 PolarHBondContact O-N 3.46Å; N383-I387 VanDerWaalsContact O-CG1 3.25Å; N383-I387 WeakPolarHBondContact O-CG1 3.49Å; N383-I387 PolarHBondContact O-N 3.19Å
384Q94.6Very high93.6Very high67 Ų6764.1 Ų64.131%0.31332%0.317SS..Hα-helixtrans-61.7-40.5178.5-69.6-54.4-34.300112.6Y380 L381 I387 L388Y380-Q384 HydrophobicContact CD1-CG 4.12Å; Y380-Q384 HydrophobicContact CD2-CG 4.34Å; Y380-Q384 HydrophobicContact CE1-CG 3.65Å; Y380-Q384 HydrophobicContact CE2-CG 3.91Å; Y380-Q384 VanDerWaalsContact CE2-NE2 3.33Å; Y380-Q384 HydrophobicContact CG-CG 4.44Å; Y380-Q384 WeakPolarHBondContact O-CG 3.45Å; Y380-Q384 PolarHBondContact O-N 3.01Å; L381-Q384 PolarHBondContact O-N 3.26Å; Q384-I387 PolarHBondContact O-N 3.12Å; Q384-L388 PolarHBondContact O-N 2.9Å
385Y95.3Very high93.6Very high130 Ų13063.7 Ų63.751%0.5131%0.313SS..Hα-helixtrans-56.5-51173.3169-96000111.1L381 I382 N383 I387 L388 V389L381-Y385 WeakPolarHBondContact O-CB 3.46Å; L381-Y385 PolarHBondContact O-N 2.77Å; I382-Y385 PolarHBondContact O-N 2.92Å; N383-Y385 VanDerWaalsContact C-N 3.34Å; N383-Y385 PolarHBondContact O-N 3Å; Y385-I387 PolarHBondContact O-N 3.29Å; Y385-L388 PolarHBondContact O-N 3.35Å; Y385-V389 HydrophobicContact CD2-CG2 4.1Å; Y385-V389 HydrophobicContact CE1-CG2 4.42Å; Y385-V389 HydrophobicContact CE2-CG2 3.73Å; Y385-V389 WeakPolarHBondContact O-CB 3.42Å; Y385-V389 WeakPolarHBondContact O-CG2 3.25Å; Y385-V389 PolarHBondContact O-N 3.17Å
386W94.3Very high93.7Very high109 Ų10966.2 Ų66.241%0.41332%0.321SS..Hα-helixtrans-68.7-33.2-179.9-75.4121000113T298 I382 N383 S390T298-W386 HydrophobicContact CG2-CB 3.53Å; I382-W386 PolarHBondContact O-N 2.77Å; N383-W386 PolarHBondContact O-N 3.46Å; W386-S390 WeakPolarHBondContact O-CA 3.08Å; W386-S390 WeakPolarHBondContact O-CB 3.24Å; W386-S390 PolarHBondContact O-N 3.14Å
387I94.8Very high93.7Very high13 Ų1369.3 Ų69.37%0.06734%0.337CS..Iπ-helixtrans-60.1-47.7171.3-71.3176.4000110T298 N383 Q384 Y385 H391 K392T298-I387 HydrophobicContact CG2-CG1 3.64Å; N383-I387 VanDerWaalsContact O-CG1 3.25Å; N383-I387 WeakPolarHBondContact O-CG1 3.49Å; N383-I387 PolarHBondContact O-N 3.19Å; Q384-I387 PolarHBondContact O-N 3.12Å; Y385-I387 PolarHBondContact O-N 3.29Å; I387-H391 WeakPolarHBondContact O-CA 3.37Å; I387-H391 VanDerWaalsContact O-CB 3.27Å; I387-H391 WeakPolarHBondContact O-CB 3.38Å; I387-H391 PolarHBondContact O-N 3.48Å; I387-H391 VanDerWaalsContact O-N 3.09Å; I387-K392 HydrophobicContact CG2-CD 4.17Å; I387-K392 HydrophobicContact CG2-CG 4.22Å; I387-K392 PolarHBondContact O-N 3.03Å
388L95.2Very high93.7Very high106 Ų10672.4 Ų72.456%0.55535%0.347SS*.Iπ-helixtrans-63.2-52.6-179.8-177.663.5000111.3Q384 Y385 F393Q384-L388 PolarHBondContact O-N 2.9Å; Y385-L388 PolarHBondContact O-N 3.35Å; L388-F393 VanDerWaalsContact O-CB 3.26Å; L388-F393 WeakPolarHBondContact O-CB 3.42Å; L388-F393 PolarHBondContact O-N 2.72Å
389V94.1Very high93.9Very high58 Ų5869.7 Ų69.735%0.35233%0.327SS..Iπ-helixtrans-77.6-38.5-171.4175.20000112.7Y385 P394Y385-V389 HydrophobicContact CD2-CG2 4.1Å; Y385-V389 HydrophobicContact CE1-CG2 4.42Å; Y385-V389 HydrophobicContact CE2-CG2 3.73Å; Y385-V389 WeakPolarHBondContact O-CB 3.42Å; Y385-V389 WeakPolarHBondContact O-CG2 3.25Å; Y385-V389 PolarHBondContact O-N 3.17Å; V389-P394 WeakPolarHBondContact O-CD 3.43Å; V389-P394 WeakPolarHBondContact O-CG 3.47Å
390S93.1Very high94.1Very high17 Ų1770.4 Ų70.412%0.11933%0.33CS..Iπ-helixtrans-104.3-15-172-69.60000114.7R370 W386R370-S390 PolarHBondContact NH1-O 3.21Å; R370-S390 PolarHBondContact NH2-O 3Å; W386-S390 WeakPolarHBondContact O-CA 3.08Å; W386-S390 WeakPolarHBondContact O-CB 3.24Å; W386-S390 PolarHBondContact O-N 3.14Å
391H94.6Very high94.3Very high0 Ų070.6 Ų70.60%033%0.333CS..Iπ-helixtrans-113.1-65.6174.3-58163.8000111.9R297 I387 A395 F415 H419R297-H391 VanDerWaalsContact CB-NE2 3.29Å; R297-H391 WeakPolarHBondContact CB-NE2 3.08Å; R297-H391 PolarHBondContact N-NE2 3.11Å; I387-H391 WeakPolarHBondContact O-CA 3.37Å; I387-H391 VanDerWaalsContact O-CB 3.27Å; I387-H391 WeakPolarHBondContact O-CB 3.38Å; I387-H391 PolarHBondContact O-N 3.48Å; I387-H391 VanDerWaalsContact O-N 3.09Å; H391-A395 WeakPolarHBondContact O-CB 3.41Å; H391-A395 PolarHBondContact O-N 3.39Å; H391-A395 VanDerWaalsContact O-N 3.13Å; H391-F415 HydrophobicContact CB-CD1 3.48Å; H391-F415 VanDerWaalsContact CB-CD1 3.48Å; H391-F415 HydrophobicContact CB-CE1 3.52Å; H391-F415 HydrophobicContact CB-CG 4.02Å; H391-F415 HydrophobicContact CB-CZ 4.06Å; H391-F415 AromaticContact CD2-CE1 3.38Å; H391-F415 WeakPolarHBondContact CD2-CE1 3.47Å; H391-F415 AromaticContact CG-CD1 3.66Å; H391-F415 AromaticContact CG-CE1 3.43Å; H391-F415 VanDerWaalsContact CG-CE1 3.43Å; H391-H419 AromaticContact CE1-CE1 3.69Å; H391-H419 AromaticContact CE1-NE2 3.99Å; H391-H419 AromaticContact CG-NE2 3.75Å; H391-H419 AromaticContact ND1-CE1 3.05Å; H391-H419 PolarHBondContact ND1-CE1 2.95Å; H391-H419 AromaticContact ND1-NE2 2.98Å; H391-H419 PolarHBondContact ND1-NE2 3.18Å
392K94.7Very high94.3Very high85 Ų8564.6 Ų64.637%0.3730%0.302SS..Iπ-helixtrans-66.9-48.7-169.7-68-178.3176.3176.50112.8I387 A395 F396 M412I387-K392 HydrophobicContact CG2-CD 4.17Å; I387-K392 HydrophobicContact CG2-CG 4.22Å; I387-K392 PolarHBondContact O-N 3.03Å; K392-A395 PolarHBondContact O-N 2.81Å; K392-F396 WeakPolarHBondContact O-CB 3.44Å; K392-F396 PolarHBondContact O-N 3.41Å; K392-M412 WeakPolarHBondContact O-CE 3.25Å
393F93.9Very high94.3Very high122 Ų12268.8 Ų68.854%0.53531%0.313SS..Hα-helixtrans-63.5-49.3-176.8178.9-99.4000112.9L388 A395 F396 I397L388-F393 VanDerWaalsContact O-CB 3.26Å; L388-F393 WeakPolarHBondContact O-CB 3.42Å; L388-F393 PolarHBondContact O-N 2.72Å; F393-A395 VanDerWaalsContact C-N 3.32Å; F393-A395 PolarHBondContact O-N 3.12Å; F393-F396 PolarHBondContact O-N 3.14Å; F393-I397 HydrophobicContact CD1-CD1 3.97Å; F393-I397 HydrophobicContact CE1-CD1 3.4Å; F393-I397 VanDerWaalsContact CE1-CD1 3.4Å; F393-I397 HydrophobicContact CE2-CD1 4.15Å; F393-I397 HydrophobicContact CZ-CD1 3.53Å; F393-I397 HydrophobicContact CZ-CG1 4.45Å; F393-I397 PolarHBondContact O-N 2.92Å; F393-I397 VanDerWaalsContact O-N 3.1Å
394P91.2Very high94.4Very high40 Ų4074.9 Ų74.926%0.2635%0.345SS..Hα-helixtrans-62.2-37.9174.4-24.335000113.1V389 I397 Y398V389-P394 WeakPolarHBondContact O-CD 3.43Å; V389-P394 WeakPolarHBondContact O-CG 3.47Å; P394-I397 PolarHBondContact O-N 2.96Å; P394-Y398 WeakPolarHBondContact O-CB 3.47Å; P394-Y398 PolarHBondContact O-N 3.48Å
395A93.9Very high94.5Very high1 Ų175 Ų751%0.00835%0.352CS..Hα-helixtrans-64.1-41177.200000112.2H391 K392 F393 Y398 D399 M411 M412 F415H391-A395 WeakPolarHBondContact O-CB 3.41Å; H391-A395 PolarHBondContact O-N 3.39Å; H391-A395 VanDerWaalsContact O-N 3.13Å; K392-A395 PolarHBondContact O-N 2.81Å; F393-A395 VanDerWaalsContact C-N 3.32Å; F393-A395 PolarHBondContact O-N 3.12Å; A395-Y398 PolarHBondContact O-N 3.3Å; A395-D399 WeakPolarHBondContact O-CB 3.37Å; A395-D399 PolarHBondContact O-N 3.28Å; A395-M411 HydrophobicContact CB-CB 3.86Å; A395-M412 HydrophobicContact CB-CE 3.94Å; A395-F415 HydrophobicContact CB-CD2 3.53Å; A395-F415 HydrophobicContact CB-CE2 3.87Å
396F95.1Very high94.4Very high123 Ų12372.3 Ų72.354%0.53936%0.364SS..Hα-helixtrans-62.4-47.8176175.5-96.1000111.6K392 F393 Y398 D399 L400 M412K392-F396 WeakPolarHBondContact O-CB 3.44Å; K392-F396 PolarHBondContact O-N 3.41Å; F393-F396 PolarHBondContact O-N 3.14Å; F396-Y398 VanDerWaalsContact C-N 3.32Å; F396-Y398 PolarHBondContact O-N 2.98Å; F396-D399 PolarHBondContact O-N 3.16Å; F396-L400 HydrophobicContact CE1-CD2 4.44Å; F396-L400 WeakPolarHBondContact O-CB 3.29Å; F396-L400 PolarHBondContact O-N 3.36Å; F396-M412 HydrophobicContact CB-CE 3.93Å
397I93.9Very high94.5Very high87 Ų8772.7 Ų72.745%0.44637%0.371SS..Hα-helixtrans-59.8-45.2177.4-68.3175.3000110.6F393 P394 L400 F401F393-I397 HydrophobicContact CD1-CD1 3.97Å; F393-I397 HydrophobicContact CE1-CD1 3.4Å; F393-I397 VanDerWaalsContact CE1-CD1 3.4Å; F393-I397 HydrophobicContact CE2-CD1 4.15Å; F393-I397 HydrophobicContact CZ-CD1 3.53Å; F393-I397 HydrophobicContact CZ-CG1 4.45Å; F393-I397 PolarHBondContact O-N 2.92Å; F393-I397 VanDerWaalsContact O-N 3.1Å; P394-I397 PolarHBondContact O-N 2.96Å; I397-L400 PolarHBondContact O-N 2.95Å; I397-F401 PolarHBondContact O-N 3.17Å
398Y92.1Very high94.4Very high88 Ų8880.5 Ų80.535%0.34540%0.404SS..Hα-helixtrans-64-44.5179.4-174.9-96000112P394 A395 F396 L400 F401 L402 Q410 M411P394-Y398 WeakPolarHBondContact O-CB 3.47Å; P394-Y398 PolarHBondContact O-N 3.48Å; A395-Y398 PolarHBondContact O-N 3.3Å; F396-Y398 VanDerWaalsContact C-N 3.32Å; F396-Y398 PolarHBondContact O-N 2.98Å; Y398-L400 VanDerWaalsContact C-N 3.32Å; Y398-L400 PolarHBondContact O-N 3.24Å; Y398-F401 WeakPolarHBondContact O-CB 3.33Å; Y398-F401 PolarHBondContact O-N 3.17Å; Y398-L402 HydrophobicContact CD1-CD1 3.74Å; Y398-L402 HydrophobicContact CD1-CG 4.05Å; Y398-L402 HydrophobicContact CE1-CD1 3.42Å; Y398-L402 VanDerWaalsContact CE1-CD1 3.42Å; Y398-L402 HydrophobicContact CE1-CD2 4.22Å; Y398-L402 HydrophobicContact CE1-CG 3.86Å; Y398-L402 WeakPolarHBondContact O-CG 3.41Å; Y398-L402 PolarHBondContact O-N 3.32Å; Y398-Q410 HydrophobicContact CE1-CG 4.31Å; Y398-M411 HydrophobicContact CD1-CB 3.97Å; Y398-M411 HydrophobicContact CD1-CG 3.06Å; Y398-M411 HydrophobicContact CD1-SD 4.39Å; Y398-M411 HydrophobicContact CE1-CG 3.44Å; Y398-M411 VanDerWaalsContact CE1-CG 3.44Å; Y398-M411 HydrophobicContact CE1-SD 4.32Å; Y398-M411 HydrophobicContact CG-CG 3.88Å
399D95.2Very high94.3Very high13 Ų1376.7 Ų76.77%0.0739%0.386CS..Hα-helixtrans-66.8-33.2177.4-81.8-8.6000112.5A395 F396 R403 P409 Q410 M411 M412A395-D399 WeakPolarHBondContact O-CB 3.37Å; A395-D399 PolarHBondContact O-N 3.28Å; F396-D399 PolarHBondContact O-N 3.16Å; D399-R403 VanDerWaalsContact O-CG 3.29Å; D399-R403 WeakPolarHBondContact O-CG 3.37Å; D399-R403 PolarHBondContact O-N 3.37Å; D399-P409 HydrophobicContact CB-CB 3.64Å; D399-P409 VanDerWaalsContact CG-CB 3.5Å; D399-Q410 PolarHBondContact OD1-N 3.48Å; D399-M411 PolarHBondContact OD1-N 3.39Å; D399-M411 PolarHBondContact OD2-N 3.36Å; D399-M412 VanDerWaalsContact OD2-CB 3.3Å; D399-M412 WeakPolarHBondContact OD2-CB 3.35Å; D399-M412 PolarHBondContact OD2-N 2.91Å
400L96.1Very high94.2Very high83 Ų8378.1 Ų78.144%0.43539%0.388SS..Hα-helixtrans-64.4-46.7171.5179.862000110.8F396 I397 Y398 L402 R403 L404F396-L400 HydrophobicContact CE1-CD2 4.44Å; F396-L400 WeakPolarHBondContact O-CB 3.29Å; F396-L400 PolarHBondContact O-N 3.36Å; I397-L400 PolarHBondContact O-N 2.95Å; Y398-L400 VanDerWaalsContact C-N 3.32Å; Y398-L400 PolarHBondContact O-N 3.24Å; L400-L402 PolarHBondContact O-N 3.29Å; L400-R403 PolarHBondContact O-N 3.21Å; L400-L404 HydrophobicContact CG-CD1 4.28Å; L400-L404 WeakPolarHBondContact O-CG 3.39Å; L400-L404 PolarHBondContact O-N 3.38Å
401F95.2Very high94.1Very high124 Ų12478 Ų7854%0.54439%0.386SS..Hα-helixtrans-57.7-46.9174.9172.9-98.3000111.7I397 Y398 R403 L404 C405I397-F401 PolarHBondContact O-N 3.17Å; Y398-F401 WeakPolarHBondContact O-CB 3.33Å; Y398-F401 PolarHBondContact O-N 3.17Å; F401-R403 VanDerWaalsContact C-N 3.33Å; F401-R403 PolarHBondContact O-N 3Å; F401-L404 PolarHBondContact O-N 3.26Å; F401-L404 VanDerWaalsContact O-N 3.16Å; F401-C405 VanDerWaalsContact CZ-SG 3.54Å; F401-C405 PolarHBondContact O-N 3.03Å; F401-C405 PolarHBondContact O-SG 3.44Å
402L94.6Very high94.1Very high4 Ų480.1 Ų80.12%0.02140%0.397CS..Hα-helixtrans-57.5-45.5176.2-71.2-178.3000112Y398 L400 L404 C405 G406 Q407 Q410Y398-L402 HydrophobicContact CD1-CD1 3.74Å; Y398-L402 HydrophobicContact CD1-CG 4.05Å; Y398-L402 HydrophobicContact CE1-CD1 3.42Å; Y398-L402 VanDerWaalsContact CE1-CD1 3.42Å; Y398-L402 HydrophobicContact CE1-CD2 4.22Å; Y398-L402 HydrophobicContact CE1-CG 3.86Å; Y398-L402 WeakPolarHBondContact O-CG 3.41Å; Y398-L402 PolarHBondContact O-N 3.32Å; L400-L402 PolarHBondContact O-N 3.29Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 2.98Å; L402-C405 CarbonylContact O-C 3.57Å; L402-C405 PolarHBondContact O-N 2.93Å; L402-C405 VanDerWaalsContact O-N 3.12Å; L402-G406 PolarHBondContact O-N 2.91Å; L402-Q407 CarbonylContact C-O 3.4Å; L402-Q407 HydrophobicContact CB-CB 4.12Å; L402-Q407 HydrophobicContact CD2-CB 4.14Å; L402-Q407 VanDerWaalsContact CD2-OE1 3.22Å; L402-Q407 WeakPolarHBondContact O-CA 3.36Å; L402-Q407 WeakPolarHBondContact O-CB 3.45Å; L402-Q407 PolarHBondContact O-N 3.25Å; L402-Q410 HydrophobicContact CD1-CG 3.73Å
403R95.3Very high93.9Very high164 Ų16483.5 Ų83.562%0.61941%0.407SS*.Hα-helixtrans-60.3-42.8176.7-74174.7-174.5-162.21.3112D399 L400 F401 C405 G406 P409D399-R403 VanDerWaalsContact O-CG 3.29Å; D399-R403 WeakPolarHBondContact O-CG 3.37Å; D399-R403 PolarHBondContact O-N 3.37Å; L400-R403 PolarHBondContact O-N 3.21Å; F401-R403 VanDerWaalsContact C-N 3.33Å; F401-R403 PolarHBondContact O-N 3Å; R403-C405 PolarHBondContact O-N 2.81Å; R403-G406 PolarHBondContact O-N 2.81Å; R403-P409 HydrophobicContact CG-CB 4.45Å; R403-P409 HydrophobicContact CG-CG 4.38Å
404L96.2Very high93.8Very high139 Ų13981 Ų8173%0.72840%0.398SS*.Hα-helixtrans-64.4-30.5176.7-67.3172.8000112.1L400 F401 L402 G406L400-L404 HydrophobicContact CG-CD1 4.28Å; L400-L404 WeakPolarHBondContact O-CG 3.39Å; L400-L404 PolarHBondContact O-N 3.38Å; F401-L404 PolarHBondContact O-N 3.26Å; F401-L404 VanDerWaalsContact O-N 3.16Å; L402-L404 VanDerWaalsContact C-N 3.33Å; L402-L404 PolarHBondContact O-N 2.98Å; L404-G406 VanDerWaalsContact C-N 3.27Å; L404-G406 PolarHBondContact O-N 3Å
405C95.8Very high93.9Very high69 Ų6979.1 Ų79.147%0.46639%0.386SS..THydrogen-bonded Turntrans-84.510.4172.6-640000114.1F401 L402 R403 Q407F401-C405 VanDerWaalsContact CZ-SG 3.54Å; F401-C405 PolarHBondContact O-N 3.03Å; F401-C405 PolarHBondContact O-SG 3.44Å; L402-C405 CarbonylContact O-C 3.57Å; L402-C405 PolarHBondContact O-N 2.93Å; L402-C405 VanDerWaalsContact O-N 3.12Å; R403-C405 PolarHBondContact O-N 2.81Å; C405-Q407 PolarHBondContact O-N 2.88Å
406G94.3Very high93.9Very high74 Ų7483.1 Ų83.176%0.76341%0.408SS*.THydrogen-bonded Turntrans72.411.5-178.800000114.9L402 R403 L404L402-G406 PolarHBondContact O-N 2.91Å; R403-G406 PolarHBondContact O-N 2.81Å; L404-G406 VanDerWaalsContact C-N 3.27Å; L404-G406 PolarHBondContact O-N 3Å
407Q94.9Very high93.7Very high116 Ų11686.7 Ų86.754%0.54242%0.418SS..PPolyproline II helixtrans-96.3156.5178.6-60.4-170.2200112L402 C405L402-Q407 CarbonylContact C-O 3.4Å; L402-Q407 HydrophobicContact CB-CB 4.12Å; L402-Q407 HydrophobicContact CD2-CB 4.14Å; L402-Q407 VanDerWaalsContact CD2-OE1 3.22Å; L402-Q407 WeakPolarHBondContact O-CA 3.36Å; L402-Q407 WeakPolarHBondContact O-CB 3.45Å; L402-Q407 PolarHBondContact O-N 3.25Å; C405-Q407 PolarHBondContact O-N 2.88Å
408K93.4Very high93.6Very high178 Ų17883.7 Ų83.777%0.77440%0.402SS*.PPolyproline II helixtrans-76.3135.2179.1-67.7-178.2-179.2176.50110.8
409P92Very high93.6Very high25 Ų2581.1 Ų81.116%0.16239%0.393CS..PPolyproline II helixtrans-64.8139.8175.229.9-37.2000110.9D399 R403D399-P409 HydrophobicContact CB-CB 3.64Å; D399-P409 VanDerWaalsContact CG-CB 3.5Å; R403-P409 HydrophobicContact CG-CB 4.45Å; R403-P409 HydrophobicContact CG-CG 4.38Å
410Q92.6Very high93.4Very high88 Ų8886.3 Ų86.341%0.41142%0.415SS..  trans-137.4-33.8-173.561.5179.7-36.800114.4Y398 D399 L402 M412 R413 I414Y398-Q410 HydrophobicContact CE1-CG 4.31Å; D399-Q410 PolarHBondContact OD1-N 3.48Å; L402-Q410 HydrophobicContact CD1-CG 3.73Å; Q410-M412 PolarHBondContact O-N 3.31Å; Q410-R413 WeakPolarHBondContact O-CB 3.42Å; Q410-R413 PolarHBondContact O-N 3.44Å; Q410-I414 PolarHBondContact O-N 3.31Å
411M91.5Very high93.1Very high14 Ų1484.8 Ų84.87%0.06942%0.415CS..Hα-helixtrans-68.7-38.7-169.2-75.6-61.1-6700112.7F369 A395 Y398 D399 R413 I414 F415F369-M411 HydrophobicContact CD1-CE 4.5Å; F369-M411 HydrophobicContact CE1-CE 4Å; F369-M411 HydrophobicContact CE2-CE 4Å; F369-M411 HydrophobicContact CZ-CE 3.73Å; A395-M411 HydrophobicContact CB-CB 3.86Å; Y398-M411 HydrophobicContact CD1-CB 3.97Å; Y398-M411 HydrophobicContact CD1-CG 3.06Å; Y398-M411 HydrophobicContact CD1-SD 4.39Å; Y398-M411 HydrophobicContact CE1-CG 3.44Å; Y398-M411 VanDerWaalsContact CE1-CG 3.44Å; Y398-M411 HydrophobicContact CE1-SD 4.32Å; Y398-M411 HydrophobicContact CG-CG 3.88Å; D399-M411 PolarHBondContact OD1-N 3.39Å; D399-M411 PolarHBondContact OD2-N 3.36Å; M411-R413 PolarHBondContact O-N 3.17Å; M411-I414 PolarHBondContact O-N 3.28Å; M411-I414 VanDerWaalsContact O-N 3.17Å; M411-I414 HydrophobicContact SD-CD1 4Å; M411-F415 HydrophobicContact CE-CD2 4.32Å; M411-F415 HydrophobicContact CE-CE2 3.68Å; M411-F415 HydrophobicContact CE-CZ 4.46Å; M411-F415 WeakPolarHBondContact O-CD2 3.39Å; M411-F415 PolarHBondContact O-N 3.36Å
412M93.3Very high92.8Very high46 Ų4679.5 Ų79.523%0.22739%0.392CS..Hα-helixtrans-62.5-35.3177.3-165.660.464.400111.4K392 A395 F396 D399 Q410 F415 N416K392-M412 WeakPolarHBondContact O-CE 3.25Å; A395-M412 HydrophobicContact CB-CE 3.94Å; F396-M412 HydrophobicContact CB-CE 3.93Å; D399-M412 VanDerWaalsContact OD2-CB 3.3Å; D399-M412 WeakPolarHBondContact OD2-CB 3.35Å; D399-M412 PolarHBondContact OD2-N 2.91Å; Q410-M412 PolarHBondContact O-N 3.31Å; M412-F415 PolarHBondContact O-N 3.3Å; M412-N416 WeakPolarHBondContact O-CB 3.44Å; M412-N416 PolarHBondContact O-N 3.1Å; M412-N416 PolarHBondContact O-ND2 3.25Å
413R92.3Very high92.6Very high156 Ų15685.6 Ų85.659%0.58942%0.42SS*.Hα-helixtrans-66.2-41.2176-61.9178.9-177.8165.9-0.5111.6Q410 M411 N416 R417Q410-R413 WeakPolarHBondContact O-CB 3.42Å; Q410-R413 PolarHBondContact O-N 3.44Å; M411-R413 PolarHBondContact O-N 3.17Å; R413-N416 PolarHBondContact O-N 3.36Å; R413-R417 WeakPolarHBondContact O-CG 3.38Å; R413-R417 PolarHBondContact O-N 3.25Å; R413-R417 VanDerWaalsContact O-N 3.08Å
414I91.5Very high92.2Very high68 Ų6880.3 Ų80.335%0.34940%0.404SS..Hα-helixtrans-61.3-50.1176.6-66.3169.5000110I295 Q410 M411 N416 R417 L418I295-I414 HydrophobicContact CG2-CG2 4.42Å; Q410-I414 PolarHBondContact O-N 3.31Å; M411-I414 PolarHBondContact O-N 3.28Å; M411-I414 VanDerWaalsContact O-N 3.17Å; M411-I414 HydrophobicContact SD-CD1 4Å; I414-N416 PolarHBondContact O-N 2.94Å; I414-R417 PolarHBondContact O-N 3Å; I414-L418 WeakPolarHBondContact O-CB 3.45Å; I414-L418 PolarHBondContact O-N 3.4Å
415F93.5Very high91.9Very high1 Ų175.6 Ų75.60%0.00438%0.379CS..Hα-helixtrans-65.4-38.4179-82-67.1000113.3I295 H391 A395 M411 M412 R417 L418 H419I295-F415 HydrophobicContact CG2-CE1 3.91Å; I295-F415 HydrophobicContact CG2-CZ 4.12Å; I295-F415 VanDerWaalsContact O-CE1 3.27Å; I295-F415 WeakPolarHBondContact O-CE1 3.42Å; H391-F415 HydrophobicContact CB-CD1 3.48Å; H391-F415 VanDerWaalsContact CB-CD1 3.48Å; H391-F415 HydrophobicContact CB-CE1 3.52Å; H391-F415 HydrophobicContact CB-CG 4.02Å; H391-F415 HydrophobicContact CB-CZ 4.06Å; H391-F415 AromaticContact CD2-CE1 3.38Å; H391-F415 WeakPolarHBondContact CD2-CE1 3.47Å; H391-F415 AromaticContact CG-CD1 3.66Å; H391-F415 AromaticContact CG-CE1 3.43Å; H391-F415 VanDerWaalsContact CG-CE1 3.43Å; A395-F415 HydrophobicContact CB-CD2 3.53Å; A395-F415 HydrophobicContact CB-CE2 3.87Å; M411-F415 HydrophobicContact CE-CD2 4.32Å; M411-F415 HydrophobicContact CE-CE2 3.68Å; M411-F415 HydrophobicContact CE-CZ 4.46Å; M411-F415 WeakPolarHBondContact O-CD2 3.39Å; M411-F415 PolarHBondContact O-N 3.36Å; M412-F415 PolarHBondContact O-N 3.3Å; F415-R417 VanDerWaalsContact C-N 3.33Å; F415-R417 PolarHBondContact O-N 3.38Å; F415-L418 HydrophobicContact CD1-CD2 4.11Å; F415-L418 HydrophobicContact CE1-CD2 4.31Å; F415-L418 PolarHBondContact O-N 2.85Å; F415-H419 WeakPolarHBondContact O-CB 3.31Å; F415-H419 PolarHBondContact O-CD2 3.44Å; F415-H419 PolarHBondContact O-N 2.79Å
416N92.9Very high91.6Very high86 Ų8674.1 Ų74.146%0.4637%0.366SS..Hα-helixtrans-62.1-41.2175.8-73.1-13.8000111.8M412 R413 I414 K420M412-N416 WeakPolarHBondContact O-CB 3.44Å; M412-N416 PolarHBondContact O-N 3.1Å; M412-N416 PolarHBondContact O-ND2 3.25Å; R413-N416 PolarHBondContact O-N 3.36Å; I414-N416 PolarHBondContact O-N 2.94Å; N416-K420 WeakPolarHBondContact O-CB 3.3Å; N416-K420 PolarHBondContact O-N 3.13Å
417R91.1Very high91.5Very high198 Ų19873.2 Ų73.275%0.74734%0.339SS*.Hα-helixtrans-64.6-44.4174.2-72.9178.7-179.1179.3-0.4111.8R413 I414 F415 K420 A421R413-R417 WeakPolarHBondContact O-CG 3.38Å; R413-R417 PolarHBondContact O-N 3.25Å; R413-R417 VanDerWaalsContact O-N 3.08Å; I414-R417 PolarHBondContact O-N 3Å; F415-R417 VanDerWaalsContact C-N 3.33Å; F415-R417 PolarHBondContact O-N 3.38Å; R417-K420 PolarHBondContact O-N 2.79Å; R417-A421 PolarHBondContact O-N 2.91Å
418L91.9Very high91.4Very high24 Ų2468.1 Ų68.113%0.12632%0.315CS..Hα-helixtrans-59.6-46.9176.8178.362.9000111.6A290 I295 L296 I414 F415 A421 I422A290-L418 HydrophobicContact CB-CD1 3.92Å; I295-L418 HydrophobicContact CG2-CD2 3.9Å; L296-L418 HydrophobicContact CB-CD2 4.22Å; L296-L418 HydrophobicContact CD1-CD2 4.19Å; I414-L418 WeakPolarHBondContact O-CB 3.45Å; I414-L418 PolarHBondContact O-N 3.4Å; F415-L418 HydrophobicContact CD1-CD2 4.11Å; F415-L418 HydrophobicContact CE1-CD2 4.31Å; F415-L418 PolarHBondContact O-N 2.85Å; L418-A421 PolarHBondContact O-N 3.29Å; L418-I422 HydrophobicContact CD1-CD1 3.83Å; L418-I422 HydrophobicContact CD1-CG1 4.31Å; L418-I422 HydrophobicContact CG-CD1 3.85Å; L418-I422 WeakPolarHBondContact O-CG1 3.12Å; L418-I422 PolarHBondContact O-N 3.11Å
419H92.6Very high91.3Very high34 Ų3459.7 Ų59.716%0.15728%0.279CS..Hα-helixtrans-65.1-40.6178.4-78.5-52000113H391 F415 A421 I422 H423H391-H419 AromaticContact CE1-CE1 3.69Å; H391-H419 AromaticContact CE1-NE2 3.99Å; H391-H419 AromaticContact CG-NE2 3.75Å; H391-H419 AromaticContact ND1-CE1 3.05Å; H391-H419 PolarHBondContact ND1-CE1 2.95Å; H391-H419 AromaticContact ND1-NE2 2.98Å; H391-H419 PolarHBondContact ND1-NE2 3.18Å; F415-H419 WeakPolarHBondContact O-CB 3.31Å; F415-H419 PolarHBondContact O-CD2 3.44Å; F415-H419 PolarHBondContact O-N 2.79Å; H419-A421 VanDerWaalsContact C-N 3.32Å; H419-A421 PolarHBondContact O-N 3.39Å; H419-I422 PolarHBondContact O-N 3.23Å; H419-H423 WeakPolarHBondContact O-CB 3.45Å; H419-H423 PolarHBondContact O-N 3.28Å
420K90.6Very high91.2Very high121 Ų12160.4 Ų60.453%0.52629%0.285SS..Hα-helixtrans-58.8-46173.1-172.3-177.4173.9-1670110.7D152 N416 R417 H423 L424D152-K420 WeakPolarHBondContact OD2-CE 3.37Å; D152-K420 IonicContact OD2-NZ 3.86Å; D152-K420 PolarHBondContact OD2-NZ 2.98Å; N416-K420 WeakPolarHBondContact O-CB 3.3Å; N416-K420 PolarHBondContact O-N 3.13Å; R417-K420 PolarHBondContact O-N 2.79Å; K420-H423 PolarHBondContact O-N 3.36Å; K420-L424 WeakPolarHBondContact O-CG 3.46Å; K420-L424 PolarHBondContact O-N 3.15Å
421A88.7Confident91.2Very high52 Ų5259.6 Ų59.643%0.4328%0.281SS..Hα-helixtrans-63.3-45.3178.900000112.6R417 L418 H419 L424R417-A421 PolarHBondContact O-N 2.91Å; L418-A421 PolarHBondContact O-N 3.29Å; H419-A421 VanDerWaalsContact C-N 3.32Å; H419-A421 PolarHBondContact O-N 3.39Å; A421-L424 PolarHBondContact O-N 2.9Å
422I90.7Very high91.2Very high13 Ų1363 Ų637%0.06730%0.296CS..Hα-helixtrans-64.4-41.7178.8-70.7168.2000111.6L296 M299 L418 H419 L424 L425 E426L296-I422 HydrophobicContact CD1-CD1 3.35Å; L296-I422 HydrophobicContact CD2-CD1 4.06Å; L296-I422 HydrophobicContact CG-CD1 4.34Å; M299-I422 HydrophobicContact CG-CG2 3.75Å; M299-I422 HydrophobicContact SD-CG2 4.34Å; L418-I422 HydrophobicContact CD1-CD1 3.83Å; L418-I422 HydrophobicContact CD1-CG1 4.31Å; L418-I422 HydrophobicContact CG-CD1 3.85Å; L418-I422 WeakPolarHBondContact O-CG1 3.12Å; L418-I422 PolarHBondContact O-N 3.11Å; H419-I422 PolarHBondContact O-N 3.23Å; I422-L424 PolarHBondContact O-N 3.21Å; I422-L425 WeakPolarHBondContact O-CA 3.36Å; I422-L425 WeakPolarHBondContact O-CB 3.11Å; I422-L425 PolarHBondContact O-N 2.97Å; I422-E426 PolarHBondContact O-N 3.47Å; I422-E426 VanDerWaalsContact O-N 3.14Å
423H89.6Confident91.3Very high131 Ų13161.1 Ų61.161%0.60629%0.287SS*.Hα-helixtrans-61-34.6178.6-176.3-79.8000112.2H419 K420 L425 E426H419-H423 WeakPolarHBondContact O-CB 3.45Å; H419-H423 PolarHBondContact O-N 3.28Å; K420-H423 PolarHBondContact O-N 3.36Å; H423-L425 PolarHBondContact O-N 3.48Å; H423-E426 IonicContact CD2-OE2 3.49Å; H423-E426 WeakPolarHBondContact O-CB 3.46Å; H423-E426 PolarHBondContact O-N 2.95Å
424L86.7Confident91.4Very high53 Ų5357.6 Ų57.628%0.27728%0.277SS..Hα-helixtrans-66.2-21.1174.6-67170.2000113F151 D152 K420 A421 I422F151-L424 HydrophobicContact CB-CB 4.36Å; F151-L424 HydrophobicContact CB-CD2 4.24Å; F151-L424 HydrophobicContact CD2-CB 4.34Å; D152-L424 HydrophobicContact CB-CD1 4.27Å; D152-L424 HydrophobicContact CB-CD2 4.38Å; K420-L424 WeakPolarHBondContact O-CG 3.46Å; K420-L424 PolarHBondContact O-N 3.15Å; A421-L424 PolarHBondContact O-N 2.9Å; I422-L424 PolarHBondContact O-N 3.21Å
425L89.3Confident91.6Very high40 Ų4055.1 Ų55.121%0.20926%0.263CS..Hα-helixtrans-95.9-10.7178.2-57.9177.8000112.9F151 V287 I422 H423 Y427 F428 S429F151-L425 HydrophobicContact CD2-CD2 4.38Å; F151-L425 HydrophobicContact CE2-CD2 3.9Å; V287-L425 HydrophobicContact CG2-CD1 3.9Å; I422-L425 WeakPolarHBondContact O-CA 3.36Å; I422-L425 WeakPolarHBondContact O-CB 3.11Å; I422-L425 PolarHBondContact O-N 2.97Å; H423-L425 PolarHBondContact O-N 3.48Å; L425-Y427 VanDerWaalsContact C-N 3.29Å; L425-Y427 PolarHBondContact O-N 2.89Å; L425-F428 PolarHBondContact O-N 2.89Å; L425-F428 VanDerWaalsContact O-N 3.12Å; L425-S429 PolarHBondContact O-N 3.4Å; L425-S429 PolarHBondContact O-OG 2.67Å
426E90.9Very high91.7Very high39 Ų3956.9 Ų56.918%0.18227%0.273CS..Hα-helixtrans-61.1-37.9-171.9-171.7173.1152.800112.4R300 I422 H423 F428 S429 S430R300-E426 VanDerWaalsContact CD-OE1 3.29Å; R300-E426 WeakPolarHBondContact CD-OE1 3.46Å; R300-E426 IonicContact CZ-OE1 3.42Å; R300-E426 IonicContact NE-OE1 3.09Å; R300-E426 IonicContact NH1-OE1 2.71Å; R300-E426 PolarHBondContact NH1-OE1 2.75Å; I422-E426 PolarHBondContact O-N 3.47Å; I422-E426 VanDerWaalsContact O-N 3.14Å; H423-E426 IonicContact CD2-OE2 3.49Å; H423-E426 WeakPolarHBondContact O-CB 3.46Å; H423-E426 PolarHBondContact O-N 2.95Å; E426-F428 PolarHBondContact O-N 2.91Å; E426-S429 WeakPolarHBondContact CA-OG 3.4Å; E426-S429 PolarHBondContact O-N 2.68Å; E426-S429 PolarHBondContact O-OG 3.11Å; E426-S430 WeakPolarHBondContact O-CB 3.5Å; E426-S430 PolarHBondContact O-N 3.45Å; E426-S430 PolarHBondContact O-OG 3.23Å
427Y91.6Very high91.7Very high54 Ų5453.4 Ų53.421%0.21226%0.255CS..Hα-helixtrans-59.2-46.9175.3-175.9-87.5000111.8C192 D233 P235 L425 Q431 W433C192-Y427 HydrophobicContact CB-CE1 4.2Å; C192-Y427 PolarHBondContact O-OH 2.73Å; D233-Y427 PolarHBondContact O-OH 3.3Å; P235-Y427 HydrophobicContact CB-CD1 3.66Å; P235-Y427 HydrophobicContact CB-CD2 3.7Å; P235-Y427 HydrophobicContact CB-CE1 4.01Å; P235-Y427 HydrophobicContact CB-CE2 4.03Å; P235-Y427 HydrophobicContact CB-CG 3.48Å; P235-Y427 VanDerWaalsContact CB-CG 3.48Å; P235-Y427 HydrophobicContact CG-CD1 3.55Å; P235-Y427 HydrophobicContact CG-CD2 4.37Å; P235-Y427 HydrophobicContact CG-CE1 3.59Å; P235-Y427 HydrophobicContact CG-CE2 4.4Å; P235-Y427 HydrophobicContact CG-CG 3.95Å; L425-Y427 VanDerWaalsContact C-N 3.29Å; L425-Y427 PolarHBondContact O-N 2.89Å; Y427-Q431 VanDerWaalsContact CD2-NE2 3.29Å; Y427-W433 HydrophobicContact CD1-CH2 4.21Å; Y427-W433 HydrophobicContact CD1-CZ2 4.19Å; Y427-W433 HydrophobicContact CE1-CH2 4.18Å; Y427-W433 AromaticContact CE1-CZ2 3.69Å; Y427-W433 HydrophobicContact CE1-CZ2 3.69Å
428F92.4Very high91.9Very high9 Ų950.4 Ų50.44%0.03925%0.25CC..Hα-helixtrans-74.2-26.8-178.3-58.2-68.9000113.9F151 Y189 P235 T239 L425 E426 W433F151-F428 HydrophobicContact CD2-CE2 4.06Å; F151-F428 HydrophobicContact CE2-CD2 4.03Å; F151-F428 AromaticContact CE2-CE2 3.64Å; F151-F428 HydrophobicContact CE2-CE2 3.64Å; F151-F428 HydrophobicContact CZ-CE2 4.11Å; Y189-F428 AromaticContact CD1-CD1 3.55Å; Y189-F428 HydrophobicContact CD1-CD1 3.55Å; Y189-F428 AromaticContact CD1-CE1 3.69Å; Y189-F428 HydrophobicContact CD1-CE1 3.69Å; Y189-F428 HydrophobicContact CD2-CD1 4.43Å; Y189-F428 HydrophobicContact CD2-CE1 4.41Å; Y189-F428 AromaticContact CE1-CD1 3.84Å; Y189-F428 HydrophobicContact CE1-CD1 3.84Å; Y189-F428 HydrophobicContact CE1-CE1 4.43Å; Y189-F428 AromaticContact CG-CD1 3.88Å; Y189-F428 HydrophobicContact CG-CD1 3.88Å; Y189-F428 AromaticContact CG-CE1 3.68Å; Y189-F428 HydrophobicContact CG-CE1 3.68Å; P235-F428 HydrophobicContact CG-CE1 4.16Å; P235-F428 HydrophobicContact CG-CE2 4.33Å; P235-F428 HydrophobicContact CG-CZ 3.65Å; T239-F428 HydrophobicContact CG2-CE1 4.24Å; T239-F428 HydrophobicContact CG2-CZ 3.85Å; L425-F428 PolarHBondContact O-N 2.89Å; L425-F428 VanDerWaalsContact O-N 3.12Å; E426-F428 PolarHBondContact O-N 2.91Å; F428-W433 HydrophobicContact CD1-CH2 4.02Å
429S91.6Very high92.2Very high2 Ų250.9 Ų50.91%0.01425%0.252CS..Hα-helixtrans-92.9-9.2-179.354.40000113.3A301 N302 L425 E426A301-S429 CarbonylContact C-O 3.43Å; A301-S429 WeakPolarHBondContact CA-O 3.48Å; A301-S429 VanDerWaalsContact CB-O 3.24Å; A301-S429 WeakPolarHBondContact CB-O 3.13Å; N302-S429 PolarHBondContact N-O 3.49Å; L425-S429 PolarHBondContact O-N 3.4Å; L425-S429 PolarHBondContact O-OG 2.67Å; E426-S429 WeakPolarHBondContact CA-OG 3.4Å; E426-S429 PolarHBondContact O-N 2.68Å; E426-S429 PolarHBondContact O-OG 3.11Å
430S90.6Very high92.3Very high39 Ų3949.6 Ų49.627%0.27325%0.247SC..SBendtrans-109.4-0.9-179.8-52.90000113.8E426E426-S430 WeakPolarHBondContact O-CB 3.5Å; E426-S430 PolarHBondContact O-N 3.45Å; E426-S430 PolarHBondContact O-OG 3.23Å
431Q91.9Very high92.5Very high72 Ų7247.2 Ų47.234%0.33625%0.245SC..  trans-128.2166.6-178.3-64.8-175.531.500110.3Y427 W433Y427-Q431 VanDerWaalsContact CD2-NE2 3.29Å; Q431-W433 HydrophobicContact CB-CH2 3.51Å; Q431-W433 HydrophobicContact CB-CZ2 3.79Å; Q431-W433 HydrophobicContact CB-CZ3 4.03Å
432E92.1Very high92.9Very high84 Ų8447.5 Ų47.539%0.39324%0.238SC..  trans-135.6150.1-179.8-179.2176.7-179.100109A305 V306A305-E432 HydrophobicContact CB-CB 4.34Å; V306-E432 HydrophobicContact CB-CG 4.12Å; V306-E432 HydrophobicContact CG2-CG 4.25Å; V306-E432 WeakPolarHBondContact CG2-OE1 3.29Å
433W95.1Very high93.2Very high8 Ų846.9 Ų46.93%0.0324%0.235CC..  trans-132.1148.6-177.8-67.6-84.5000110.3Y189 C192 R194 R195 I197 Y427 F428 Q431 W435Y189-W433 HydrophobicContact CD1-CE3 4.37Å; Y189-W433 HydrophobicContact CD1-CZ3 4.36Å; Y189-W433 HydrophobicContact CE1-CD2 4.28Å; Y189-W433 AromaticContact CE1-CE3 3.75Å; Y189-W433 HydrophobicContact CE1-CE3 3.75Å; Y189-W433 HydrophobicContact CE1-CH2 4.31Å; Y189-W433 AromaticContact CE1-CZ3 3.76Å; Y189-W433 HydrophobicContact CE1-CZ3 3.76Å; C192-W433 HydrophobicContact CB-CZ2 3.85Å; C192-W433 PolarHBondContact O-NE1 3.3Å; R194-W433 PolarHBondContact O-NE1 2.98Å; R195-W433 WeakPolarHBondContact O-CA 3.34Å; I197-W433 HydrophobicContact CD1-CG 4.35Å; Y427-W433 HydrophobicContact CD1-CH2 4.21Å; Y427-W433 HydrophobicContact CD1-CZ2 4.19Å; Y427-W433 HydrophobicContact CE1-CH2 4.18Å; Y427-W433 AromaticContact CE1-CZ2 3.69Å; Y427-W433 HydrophobicContact CE1-CZ2 3.69Å; F428-W433 HydrophobicContact CD1-CH2 4.02Å; Q431-W433 HydrophobicContact CB-CH2 3.51Å; Q431-W433 HydrophobicContact CB-CZ2 3.79Å; Q431-W433 HydrophobicContact CB-CZ3 4.03Å; W433-W435 HydrophobicContact CB-CD2 4.13Å; W433-W435 VanDerWaalsContact CB-CE2 3.42Å; W433-W435 HydrophobicContact CB-CH2 3.8Å; W433-W435 HydrophobicContact CB-CZ2 3.25Å; W433-W435 HydrophobicContact CB-CZ3 4.45Å; W433-W435 HydrophobicContact CD2-CH2 4.41Å; W433-W435 HydrophobicContact CD2-CZ2 4.06Å; W433-W435 HydrophobicContact CE3-CZ2 4.3Å; W433-W435 AromaticContact CG-CH2 3.87Å; W433-W435 HydrophobicContact CG-CH2 3.87Å; W433-W435 AromaticContact CG-CZ2 3.62Å; W433-W435 HydrophobicContact CG-CZ2 3.62Å
434E95.1Very high93.5Very high81 Ų8141.7 Ų41.738%0.37921%0.212SC..EExtended strand (participates in β ladder)trans-107.9111.3175.6-67.5173.3-136.100108.2R195 H196 I197R195-E434 IonicContact CZ-OE1 3.46Å; R195-E434 IonicContact NE-OE1 3.6Å; R195-E434 PolarHBondContact NE-OE1 3.14Å; R195-E434 VanDerWaalsContact NE-OE1 3.08Å; R195-E434 IonicContact NH2-OE1 3.97Å; R195-E434 PolarHBondContact NH2-OE1 3.06Å; R195-E434 PolarHBondContact O-N 3.39Å; H196-E434 WeakPolarHBondContact CA-O 3.32Å; H196-E434 IonicContact CE1-OE1 2.78Å; H196-E434 PolarHBondContact CE1-OE1 2.94Å; H196-E434 IonicContact CE1-OE2 3.82Å; H196-E434 PolarHBondContact CE1-OE2 2.74Å; H196-E434 IonicContact ND1-OE1 2.78Å; H196-E434 IonicContact ND1-OE2 3.66Å; H196-E434 PolarHBondContact ND1-OE2 3.21Å; I197-E434 PolarHBondContact N-O 3.4Å
435W94.8Very high94Very high16 Ų1641.3 Ų41.36%0.06122%0.22CC..EExtended strand (participates in β ladder)trans-99.3125.8-175.3-48.1105.6000110.2A188 Y189 I197 D308 T340 W433A188-W435 HydrophobicContact CB-CD2 4.49Å; A188-W435 HydrophobicContact CB-CE3 4.1Å; A188-W435 HydrophobicContact CB-CH2 3.68Å; A188-W435 HydrophobicContact CB-CZ2 4.07Å; A188-W435 HydrophobicContact CB-CZ3 3.68Å; A188-W435 VanDerWaalsContact O-CH2 3.28Å; A188-W435 WeakPolarHBondContact O-CH2 3.42Å; A188-W435 WeakPolarHBondContact O-CZ3 3.49Å; Y189-W435 HydrophobicContact CD1-CH2 4.1Å; Y189-W435 HydrophobicContact CD1-CZ2 4.25Å; Y189-W435 HydrophobicContact CE1-CH2 4.25Å; Y189-W435 AromaticContact CE1-CZ2 3.92Å; Y189-W435 HydrophobicContact CE1-CZ2 3.92Å; I197-W435 HydrophobicContact CB-CE3 3.69Å; I197-W435 HydrophobicContact CB-CZ3 3.74Å; I197-W435 HydrophobicContact CD1-CE3 3.96Å; I197-W435 HydrophobicContact CD1-CH2 3.58Å; I197-W435 HydrophobicContact CD1-CZ3 3.16Å; I197-W435 HydrophobicContact CG1-CE3 4.37Å; I197-W435 HydrophobicContact CG1-CZ3 3.99Å; I197-W435 HydrophobicContact CG2-CE3 3.93Å; I197-W435 HydrophobicContact CG2-CZ3 3.81Å; D308-W435 VanDerWaalsContact CG-NE1 3.3Å; D308-W435 PolarHBondContact OD1-NE1 3Å; D308-W435 PolarHBondContact OD2-NE1 3.4Å; T340-W435 HydrophobicContact CG2-CB 4.22Å; T340-W435 HydrophobicContact CG2-CD2 3.85Å; T340-W435 HydrophobicContact CG2-CE3 4.38Å; T340-W435 HydrophobicContact CG2-CG 3.74Å; T340-W435 WeakPolarHBondContact OG1-CB 3.26Å; W433-W435 HydrophobicContact CB-CD2 4.13Å; W433-W435 VanDerWaalsContact CB-CE2 3.42Å; W433-W435 HydrophobicContact CB-CH2 3.8Å; W433-W435 HydrophobicContact CB-CZ2 3.25Å; W433-W435 HydrophobicContact CB-CZ3 4.45Å; W433-W435 HydrophobicContact CD2-CH2 4.41Å; W433-W435 HydrophobicContact CD2-CZ2 4.06Å; W433-W435 HydrophobicContact CE3-CZ2 4.3Å; W433-W435 AromaticContact CG-CH2 3.87Å; W433-W435 HydrophobicContact CG-CH2 3.87Å; W433-W435 AromaticContact CG-CZ2 3.62Å; W433-W435 HydrophobicContact CG-CZ2 3.62Å
436N95.2Very high94.3Very high39 Ų3943 Ų4321%0.20923%0.227CC..  trans-71.2142.3162.1-166-49.5000108.8I197 N338 E438I197-N436 PolarHBondContact O-N 2.63Å; N338-N436 WeakPolarHBondContact CB-O 3.28Å; N338-N436 PolarHBondContact ND2-O 3.28Å; N436-E438 PolarHBondContact ND2-OE1 2.72Å; N436-E438 VanDerWaalsContact OD1-CB 3.31Å; N436-E438 WeakPolarHBondContact OD1-CB 3.3Å; N436-E438 WeakPolarHBondContact OD1-CG 3.36Å; N436-E438 PolarHBondContact OD1-N 3.06Å
437S94.3Very high94.5Very high13 Ų1341.4 Ų41.49%0.09122%0.22CC..  trans-140.831.4179.4-55.70000112.3M440 S441S437-M440 PolarHBondContact O-N 3.31Å; S437-S441 PolarHBondContact O-N 2.98Å; S437-S441 VanDerWaalsContact O-N 3.13Å; S437-S441 PolarHBondContact O-OG 3.31Å; S437-S441 VanDerWaalsContact O-OG 3.07Å
438E95.3Very high94.7Very high134 Ų13440.7 Ų40.763%0.62622%0.223SC*.Hα-helixtrans-64.1-43.4179.9-77.6171.6-145.600112.6E199 N436 M440 S441 M442E199-E438 PolarHBondContact OE2-N 3.16Å; N436-E438 PolarHBondContact ND2-OE1 2.72Å; N436-E438 VanDerWaalsContact OD1-CB 3.31Å; N436-E438 WeakPolarHBondContact OD1-CB 3.3Å; N436-E438 WeakPolarHBondContact OD1-CG 3.36Å; N436-E438 PolarHBondContact OD1-N 3.06Å; E438-M440 VanDerWaalsContact C-N 3.32Å; E438-M440 PolarHBondContact O-N 2.76Å; E438-S441 WeakPolarHBondContact O-CB 3.12Å; E438-S441 PolarHBondContact O-N 2.93Å; E438-S441 VanDerWaalsContact O-N 3.12Å; E438-M442 WeakPolarHBondContact O-CB 3.38Å; E438-M442 PolarHBondContact O-N 3.31Å
439N97.3Very high94.9Very high34 Ų3444.8 Ų44.818%0.18225%0.25CS..Hα-helixtrans-64.1-36.1177.1-69.8-26.2000111.6E199 V336 Y337 L443E199-N439 WeakPolarHBondContact CB-ND2 3.42Å; E199-N439 WeakPolarHBondContact OE2-CA 3.4Å; E199-N439 WeakPolarHBondContact OE2-CB 3.35Å; E199-N439 PolarHBondContact OE2-N 3.02Å; V336-N439 WeakPolarHBondContact O-CB 3.37Å; V336-N439 PolarHBondContact O-ND2 3.29Å; Y337-N439 HydrophobicContact CD1-CB 3.73Å; Y337-N439 HydrophobicContact CE1-CB 3.81Å; Y337-N439 WeakPolarHBondContact CE1-O 3.45Å; N439-L443 VanDerWaalsContact O-CB 3.29Å; N439-L443 WeakPolarHBondContact O-CB 3.4Å; N439-L443 PolarHBondContact O-N 2.94Å
440M95.3Very high95.1Very high8 Ų850.9 Ų50.94%0.03928%0.278CS..Hα-helixtrans-63.1-44.1171.3-75.5-166.663.800111.8L318 Y337 C339 S437 E438 L443 M444 F457L318-M440 HydrophobicContact CD1-CE 4.37Å; L318-M440 HydrophobicContact CD1-CG 4.21Å; L318-M440 HydrophobicContact CD2-CE 3.93Å; L318-M440 HydrophobicContact CD2-CG 4.17Å; L318-M440 HydrophobicContact CD2-SD 3.96Å; Y337-M440 HydrophobicContact CD1-CG 4.3Å; C339-M440 VanDerWaalsContact CA-SD 3.56Å; C339-M440 HydrophobicContact CB-SD 4.29Å; S437-M440 PolarHBondContact O-N 3.31Å; E438-M440 VanDerWaalsContact C-N 3.32Å; E438-M440 PolarHBondContact O-N 2.76Å; M440-L443 PolarHBondContact O-N 3.49Å; M440-M444 WeakPolarHBondContact O-CB 3.41Å; M440-M444 PolarHBondContact O-N 2.95Å; M440-F457 HydrophobicContact CE-CD2 3.78Å
441S95.1Very high95.4Very high71 Ų7149.3 Ų49.350%0.49727%0.267SS..Hα-helixtrans-65.2-42.2178.9-59.60000111.5S437 E438 M444 G445S437-S441 PolarHBondContact O-N 2.98Å; S437-S441 VanDerWaalsContact O-N 3.13Å; S437-S441 PolarHBondContact O-OG 3.31Å; S437-S441 VanDerWaalsContact O-OG 3.07Å; E438-S441 WeakPolarHBondContact O-CB 3.12Å; E438-S441 PolarHBondContact O-N 2.93Å; E438-S441 VanDerWaalsContact O-N 3.12Å; S441-M444 PolarHBondContact O-N 3.31Å; S441-G445 PolarHBondContact O-N 3.31Å; S441-G445 VanDerWaalsContact O-N 3.11Å
442M96.6Very high95.6Very high57 Ų5751 Ų5128%0.28127%0.27SS..Hα-helixtrans-58.7-52173.7178.3-78.8-66.500110.7Y325 L335 E438 M444 G445 Q446Y325-M442 HydrophobicContact CE1-CE 4Å; Y325-M442 HydrophobicContact CE1-SD 4.46Å; Y325-M442 HydrophobicContact CE2-SD 4.19Å; L335-M442 HydrophobicContact CD1-CE 3.99Å; E438-M442 WeakPolarHBondContact O-CB 3.38Å; E438-M442 PolarHBondContact O-N 3.31Å; M442-M444 VanDerWaalsContact C-N 3.35Å; M442-M444 PolarHBondContact O-N 3.3Å; M442-G445 WeakPolarHBondContact O-CA 3.47Å; M442-G445 PolarHBondContact O-N 3.28Å; M442-Q446 WeakPolarHBondContact O-CG 3.36Å; M442-Q446 PolarHBondContact O-N 3.26Å; M442-Q446 HydrophobicContact SD-CG 3.98Å
443L97.5Very high95.7Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-62.2-41-178.6178.858.9000112.1L318 A321 A322 W324 Y325 Y337 N439 M440 G445 Q446 F457L318-L443 HydrophobicContact CD1-CD2 3.7Å; A321-L443 HydrophobicContact CB-CD1 4.5Å; A321-L443 HydrophobicContact CB-CD2 4.04Å; A321-L443 HydrophobicContact CB-CG 4.33Å; A322-L443 HydrophobicContact CB-CD2 4.07Å; W324-L443 HydrophobicContact CZ3-CD1 4.36Å; Y325-L443 VanDerWaalsContact CB-CD1 3.47Å; Y325-L443 HydrophobicContact CD1-CD1 4.49Å; Y325-L443 HydrophobicContact CD2-CD1 3.81Å; Y325-L443 HydrophobicContact CG-CD1 3.66Å; Y337-L443 HydrophobicContact CD1-CD2 4.23Å; Y337-L443 HydrophobicContact CE1-CB 3.94Å; Y337-L443 HydrophobicContact CE1-CD2 3.66Å; Y337-L443 HydrophobicContact CE1-CG 4.41Å; N439-L443 VanDerWaalsContact O-CB 3.29Å; N439-L443 WeakPolarHBondContact O-CB 3.4Å; N439-L443 PolarHBondContact O-N 2.94Å; M440-L443 PolarHBondContact O-N 3.49Å; L443-G445 PolarHBondContact O-N 2.74Å; L443-Q446 WeakPolarHBondContact O-CB 3.46Å; L443-Q446 PolarHBondContact O-N 3.39Å; L443-F457 HydrophobicContact CB-CZ 4.42Å; L443-F457 HydrophobicContact CD2-CZ 4.19Å; L443-F457 HydrophobicContact CG-CZ 3.96Å
444M95.9Very high95.8Very high23 Ų2357.4 Ų57.411%0.11330%0.301CS..Hα-helixtrans-58.5-37.2173.2-174.259.274.900111.7M440 S441 M442 Q446 L447 R452 F457 D458M440-M444 WeakPolarHBondContact O-CB 3.41Å; M440-M444 PolarHBondContact O-N 2.95Å; S441-M444 PolarHBondContact O-N 3.31Å; M442-M444 VanDerWaalsContact C-N 3.35Å; M442-M444 PolarHBondContact O-N 3.3Å; M444-Q446 VanDerWaalsContact C-N 3.26Å; M444-Q446 PolarHBondContact O-N 3.26Å; M444-L447 PolarHBondContact O-N 3Å; M444-L447 HydrophobicContact SD-CD1 4.1Å; M444-R452 PolarHBondContact O-NE 3.45Å; M444-R452 PolarHBondContact O-NH2 3.48Å; M444-R452 HydrophobicContact SD-CB 4.49Å; M444-R452 HydrophobicContact SD-CG 3.92Å; M444-F457 HydrophobicContact CB-CE2 3.82Å; M444-F457 HydrophobicContact CB-CZ 4.12Å; M444-F457 HydrophobicContact CE-CB 4.41Å; M444-F457 HydrophobicContact CE-CD1 3.99Å; M444-F457 HydrophobicContact CE-CD2 3.33Å; M444-F457 HydrophobicContact CE-CE1 4Å; M444-F457 HydrophobicContact CE-CE2 3.36Å; M444-F457 HydrophobicContact CE-CG 3.66Å; M444-F457 HydrophobicContact CE-CZ 3.69Å; M444-F457 HydrophobicContact SD-CE2 4.31Å; M444-F457 HydrophobicContact SD-CZ 4.25Å; M444-D458 HydrophobicContact CE-CB 3.96Å
445G95.9Very high95.9Very high44 Ų4453.6 Ų53.645%0.45428%0.283SS..Hα-helixtrans-62-29.217500000114.1S441 M442 L443 R452S441-G445 PolarHBondContact O-N 3.31Å; S441-G445 VanDerWaalsContact O-N 3.11Å; M442-G445 WeakPolarHBondContact O-CA 3.47Å; M442-G445 PolarHBondContact O-N 3.28Å; L443-G445 PolarHBondContact O-N 2.74Å; G445-R452 PolarHBondContact O-NH2 3.49Å
446Q95.8Very high96Very high76 Ų7653.6 Ų53.636%0.35529%0.285SS..Hα-helixtrans-82.7-14.5-178.3-60.1-62.5-28.100113.9W324 Y325 M442 L443 M444W324-Q446 HydrophobicContact CH2-CB 4.32Å; W324-Q446 HydrophobicContact CZ3-CB 4.25Å; Y325-Q446 HydrophobicContact CD2-CB 4.32Å; Y325-Q446 HydrophobicContact CD2-CG 4.24Å; Y325-Q446 HydrophobicContact CE2-CB 4.28Å; Y325-Q446 HydrophobicContact CE2-CG 3.73Å; M442-Q446 WeakPolarHBondContact O-CG 3.36Å; M442-Q446 PolarHBondContact O-N 3.26Å; M442-Q446 HydrophobicContact SD-CG 3.98Å; L443-Q446 WeakPolarHBondContact O-CB 3.46Å; L443-Q446 PolarHBondContact O-N 3.39Å; M444-Q446 VanDerWaalsContact C-N 3.26Å; M444-Q446 PolarHBondContact O-N 3.26Å
447L95.9Very high96.1Very high6 Ų652 Ų523%0.03128%0.276CS..SBendtrans-76.2141.1-178.9-61.1-171.7000112.2I38 A321 W324 M444 D451 R452 F457I38-L447 HydrophobicContact CD1-CD2 3.68Å; I38-L447 HydrophobicContact CG1-CD2 4.36Å; A321-L447 HydrophobicContact CB-CD2 4.26Å; W324-L447 HydrophobicContact CE3-CD2 4.14Å; W324-L447 HydrophobicContact CH2-CD2 4.49Å; W324-L447 HydrophobicContact CZ3-CD2 3.79Å; M444-L447 PolarHBondContact O-N 3Å; M444-L447 HydrophobicContact SD-CD1 4.1Å; L447-D451 HydrophobicContact CB-CB 4.16Å; L447-D451 HydrophobicContact CD2-CB 4.39Å; L447-R452 HydrophobicContact CB-CG 3.46Å; L447-R452 VanDerWaalsContact CB-CG 3.46Å; L447-R452 HydrophobicContact CD1-CG 4.22Å; L447-R452 HydrophobicContact CG-CG 4.45Å; L447-R452 PolarHBondContact O-NE 3.25Å; L447-R452 VanDerWaalsContact O-NE 3.14Å; L447-R452 PolarHBondContact O-NH2 2.84Å; L447-F457 HydrophobicContact CD1-CE1 3.75Å; L447-F457 HydrophobicContact CD1-CZ 4.03Å
448S95.6Very high96.2Very high39 Ų3952.5 Ų52.527%0.27328%0.277SS..  trans-60.715716668.20000110.9E450 D451 R452S448-E450 PolarHBondContact O-N 3.5Å; S448-D451 PolarHBondContact O-N 3.34Å; S448-D451 VanDerWaalsContact OG-CB 3.25Å; S448-D451 WeakPolarHBondContact OG-CB 3.4Å; S448-D451 PolarHBondContact OG-N 2.93Å; S448-D451 PolarHBondContact OG-OD2 2.81Å; S448-R452 WeakPolarHBondContact O-CG 3.49Å; S448-R452 PolarHBondContact O-N 3.2Å
449P95.7Very high96.3Very high95 Ų9546.2 Ų46.262%0.61725%0.248SC*.Hα-helixtrans-54.1-38.8176.1-26.235.8000113.5K453P449-K453 PolarHBondContact O-N 3.46Å
450E95.6Very high96.2Very high130 Ų13052 Ų5261%0.60727%0.267SS*.Hα-helixtrans-68-43.3177.6-67.568.5-15200111.8S448 K453 T454S448-E450 PolarHBondContact O-N 3.5Å; E450-K453 PolarHBondContact O-N 2.86Å; E450-T454 PolarHBondContact O-N 3.38Å; E450-T454 PolarHBondContact O-OG1 2.85Å
451D97Very high96.2Very high5 Ų556.7 Ų56.73%0.02729%0.289CS..Hα-helixtrans-68.9-36.9176.2-74-36.8000111.8S37 I38 P39 L447 S448 K453 T454 F455S37-D451 WeakPolarHBondContact CA-OD2 3.29Å; S37-D451 VanDerWaalsContact CB-OD2 3.31Å; S37-D451 WeakPolarHBondContact CB-OD2 3.27Å; I38-D451 HydrophobicContact CD1-CB 4.28Å; I38-D451 PolarHBondContact N-OD1 2.99Å; I38-D451 PolarHBondContact N-OD2 3.41Å; I38-D451 VanDerWaalsContact N-OD2 3.13Å; P39-D451 VanDerWaalsContact CD-OD1 3.27Å; P39-D451 WeakPolarHBondContact CD-OD1 3.42Å; L447-D451 HydrophobicContact CB-CB 4.16Å; L447-D451 HydrophobicContact CD2-CB 4.39Å; S448-D451 PolarHBondContact O-N 3.34Å; S448-D451 VanDerWaalsContact OG-CB 3.25Å; S448-D451 WeakPolarHBondContact OG-CB 3.4Å; S448-D451 PolarHBondContact OG-N 2.93Å; S448-D451 PolarHBondContact OG-OD2 2.81Å; D451-K453 PolarHBondContact O-N 2.96Å; D451-T454 PolarHBondContact O-N 3.21Å; D451-F455 HydrophobicContact CB-CD2 4.39Å; D451-F455 WeakPolarHBondContact O-CA 3.4Å; D451-F455 PolarHBondContact O-N 2.93Å
452R95.8Very high96.3Very high107 Ų10753.7 Ų53.740%0.40427%0.268SS..Hα-helixtrans-60-35.8173.5-73.2-176.2-173.2160.99.5111.9M444 G445 L447 S448 N456M444-R452 PolarHBondContact O-NE 3.45Å; M444-R452 PolarHBondContact O-NH2 3.48Å; M444-R452 HydrophobicContact SD-CB 4.49Å; M444-R452 HydrophobicContact SD-CG 3.92Å; G445-R452 PolarHBondContact O-NH2 3.49Å; L447-R452 HydrophobicContact CB-CG 3.46Å; L447-R452 VanDerWaalsContact CB-CG 3.46Å; L447-R452 HydrophobicContact CD1-CG 4.22Å; L447-R452 HydrophobicContact CG-CG 4.45Å; L447-R452 PolarHBondContact O-NE 3.25Å; L447-R452 VanDerWaalsContact O-NE 3.14Å; L447-R452 PolarHBondContact O-NH2 2.84Å; S448-R452 WeakPolarHBondContact O-CG 3.49Å; S448-R452 PolarHBondContact O-N 3.2Å; R452-N456 VanDerWaalsContact O-CA 3.29Å; R452-N456 WeakPolarHBondContact O-CA 3.38Å; R452-N456 VanDerWaalsContact O-CB 3.23Å; R452-N456 WeakPolarHBondContact O-CB 3.5Å; R452-N456 PolarHBondContact O-N 3.03Å
453K95.4Very high96.4Very high178 Ų17854.9 Ų54.977%0.77428%0.275SS*.Hα-helixtrans-72.7-43.4176.2-173.6-178.5178.8-176.10111.4P449 E450 D451P449-K453 PolarHBondContact O-N 3.46Å; E450-K453 PolarHBondContact O-N 2.86Å; D451-K453 PolarHBondContact O-N 2.96Å
454T96.5Very high96.4Very high50 Ų5055.7 Ų55.731%0.30728%0.278SS..Hα-helixtrans-79.9-40.6-173.2-54.60000112.4K63 E450 D451K63-T454 PolarHBondContact NZ-O 3.09Å; E450-T454 PolarHBondContact O-N 3.38Å; E450-T454 PolarHBondContact O-OG1 2.85Å; D451-T454 PolarHBondContact O-N 3.21Å
455F97.7Very high96.4Very high0 Ų057.2 Ų57.20%029%0.29CS..THydrogen-bonded Turntrans-113.346.8-178.4-56.1-84.7000110.3I38 P39 K63 N317 L320 D451 F457I38-F455 HydrophobicContact CB-CD2 3.95Å; I38-F455 HydrophobicContact CB-CE2 3.67Å; I38-F455 HydrophobicContact CB-CZ 4.17Å; I38-F455 HydrophobicContact CD1-CB 4.04Å; I38-F455 HydrophobicContact CD1-CD2 3.68Å; I38-F455 HydrophobicContact CD1-CE2 4.3Å; I38-F455 HydrophobicContact CD1-CG 3.85Å; I38-F455 HydrophobicContact CG1-CD2 4.38Å; I38-F455 HydrophobicContact CG2-CD1 4.34Å; I38-F455 HydrophobicContact CG2-CD2 3.99Å; I38-F455 HydrophobicContact CG2-CE1 3.94Å; I38-F455 HydrophobicContact CG2-CE2 3.56Å; I38-F455 HydrophobicContact CG2-CG 4.36Å; I38-F455 HydrophobicContact CG2-CZ 3.52Å; P39-F455 HydrophobicContact CG-CE2 3.97Å; P39-F455 HydrophobicContact CG-CZ 4.28Å; K63-F455 HydrophobicContact CG-CE1 4.48Å; N317-F455 HydrophobicContact CB-CB 4.31Å; L320-F455 HydrophobicContact CB-CD1 4.19Å; L320-F455 HydrophobicContact CB-CE1 4.33Å; L320-F455 HydrophobicContact CD1-CD1 4.06Å; L320-F455 HydrophobicContact CD1-CE1 3.73Å; D451-F455 HydrophobicContact CB-CD2 4.39Å; D451-F455 WeakPolarHBondContact O-CA 3.4Å; D451-F455 PolarHBondContact O-N 2.93Å; F455-F457 WeakPolarHBondContact O-CD1 3.45Å; F455-F457 PolarHBondContact O-N 2.87Å
456N97Very high96.5Very high17 Ų1760.5 Ų60.59%0.09129%0.293CS..  trans-66.3126.3-179.1-17113.5000111.7N317 R452 D458 Q461N317-N456 WeakPolarHBondContact CB-O 3.5Å; N317-N456 PolarHBondContact ND2-N 3.26Å; N317-N456 PolarHBondContact ND2-O 3Å; R452-N456 VanDerWaalsContact O-CA 3.29Å; R452-N456 WeakPolarHBondContact O-CA 3.38Å; R452-N456 VanDerWaalsContact O-CB 3.23Å; R452-N456 WeakPolarHBondContact O-CB 3.5Å; R452-N456 PolarHBondContact O-N 3.03Å; N456-D458 WeakPolarHBondContact OD1-CB 3.49Å; N456-D458 PolarHBondContact OD1-N 3.41Å; N456-Q461 PolarHBondContact ND2-OE1 2.92Å; N456-Q461 VanDerWaalsContact ND2-OE1 3.15Å
457F97.3Very high96.6Very high4 Ų456.9 Ų56.92%0.01828%0.277CS..  trans-129.223.1169.951.4-97.7000112.5V314 N317 L318 A321 M440 L443 M444 L447 F455 V459V314-F457 HydrophobicContact CG1-CB 3.83Å; N317-F457 HydrophobicContact CB-CB 4.41Å; N317-F457 HydrophobicContact CB-CD1 4.34Å; L318-F457 HydrophobicContact CB-CB 4.09Å; L318-F457 HydrophobicContact CB-CD1 4.09Å; L318-F457 HydrophobicContact CB-CG 3.98Å; L318-F457 HydrophobicContact CD1-CD1 4.43Å; L318-F457 HydrophobicContact CD1-CD2 4.06Å; L318-F457 HydrophobicContact CD1-CE1 4.38Å; L318-F457 HydrophobicContact CD1-CE2 3.99Å; L318-F457 HydrophobicContact CD1-CG 4.29Å; L318-F457 HydrophobicContact CD1-CZ 4.19Å; A321-F457 HydrophobicContact CB-CD1 4.45Å; A321-F457 HydrophobicContact CB-CE1 3.6Å; A321-F457 HydrophobicContact CB-CZ 4.32Å; M440-F457 HydrophobicContact CE-CD2 3.78Å; L443-F457 HydrophobicContact CB-CZ 4.42Å; L443-F457 HydrophobicContact CD2-CZ 4.19Å; L443-F457 HydrophobicContact CG-CZ 3.96Å; M444-F457 HydrophobicContact CB-CE2 3.82Å; M444-F457 HydrophobicContact CB-CZ 4.12Å; M444-F457 HydrophobicContact CE-CB 4.41Å; M444-F457 HydrophobicContact CE-CD1 3.99Å; M444-F457 HydrophobicContact CE-CD2 3.33Å; M444-F457 HydrophobicContact CE-CE1 4Å; M444-F457 HydrophobicContact CE-CE2 3.36Å; M444-F457 HydrophobicContact CE-CG 3.66Å; M444-F457 HydrophobicContact CE-CZ 3.69Å; M444-F457 HydrophobicContact SD-CE2 4.31Å; M444-F457 HydrophobicContact SD-CZ 4.25Å; L447-F457 HydrophobicContact CD1-CE1 3.75Å; L447-F457 HydrophobicContact CD1-CZ 4.03Å; F455-F457 WeakPolarHBondContact O-CD1 3.45Å; F455-F457 PolarHBondContact O-N 2.87Å; F457-V459 PolarHBondContact O-N 3.28Å
458D96.5Very high96.7Very high24 Ų2456.6 Ų56.613%0.12828%0.275CS..  trans-83.399.1174.9-175.20.2000111.5M444 N456 R460 Q461M444-D458 HydrophobicContact CE-CB 3.96Å; N456-D458 WeakPolarHBondContact OD1-CB 3.49Å; N456-D458 PolarHBondContact OD1-N 3.41Å; D458-R460 VanDerWaalsContact C-N 3.25Å; D458-R460 VanDerWaalsContact CG-NH2 3.27Å; D458-R460 PolarHBondContact O-N 3.02Å; D458-R460 VanDerWaalsContact OD1-CB 3.31Å; D458-R460 WeakPolarHBondContact OD1-CB 3.36Å; D458-R460 WeakPolarHBondContact OD1-CG 3.34Å; D458-R460 IonicContact OD1-CZ 3.12Å; D458-R460 PolarHBondContact OD1-N 3.21Å; D458-R460 IonicContact OD1-NE 3.28Å; D458-R460 PolarHBondContact OD1-NE 2.93Å; D458-R460 IonicContact OD1-NH2 3.37Å; D458-R460 PolarHBondContact OD1-NH2 2.96Å; D458-R460 IonicContact OD2-CZ 2.92Å; D458-R460 IonicContact OD2-NE 3.8Å; D458-R460 PolarHBondContact OD2-NE 3Å; D458-R460 IonicContact OD2-NH2 2.78Å; D458-R460 PolarHBondContact OD2-NH2 3.28Å; D458-Q461 PolarHBondContact OD2-NE2 3.07Å
459V96.4Very high96.8Very high2 Ų257.1 Ų57.11%0.01227%0.273CS..G310 helixtrans-73.5-8.9-177.6-61.70000114.4I310 V314 T341 I344 N345 F457 Q461 L462I310-V459 HydrophobicContact CD1-CG1 3.7Å; V314-V459 HydrophobicContact CG1-CG1 3.8Å; V314-V459 HydrophobicContact CG2-CG1 4.45Å; T341-V459 HydrophobicContact CG2-CB 4Å; T341-V459 HydrophobicContact CG2-CG1 3.95Å; T341-V459 HydrophobicContact CG2-CG2 4.22Å; I344-V459 HydrophobicContact CB-CG2 3.91Å; I344-V459 HydrophobicContact CD1-CG2 4.16Å; I344-V459 HydrophobicContact CG2-CG2 3.7Å; N345-V459 PolarHBondContact ND2-O 3.14Å; F457-V459 PolarHBondContact O-N 3.28Å; V459-Q461 PolarHBondContact O-N 3.02Å; V459-L462 VanDerWaalsContact O-CB 3.23Å; V459-L462 WeakPolarHBondContact O-CB 3.48Å; V459-L462 PolarHBondContact O-N 3.41Å; V459-L462 VanDerWaalsContact O-N 3.11Å
460R96.1Very high96.9Very high156 Ų15654.7 Ų54.759%0.58926%0.255SS*.G310 helixtrans-63.8-23.5175.6-64.6170.6-69.3-160.81112.4I344 D458 L462I344-R460 HydrophobicContact CG2-CG 3.3Å; D458-R460 VanDerWaalsContact C-N 3.25Å; D458-R460 VanDerWaalsContact CG-NH2 3.27Å; D458-R460 PolarHBondContact O-N 3.02Å; D458-R460 VanDerWaalsContact OD1-CB 3.31Å; D458-R460 WeakPolarHBondContact OD1-CB 3.36Å; D458-R460 WeakPolarHBondContact OD1-CG 3.34Å; D458-R460 IonicContact OD1-CZ 3.12Å; D458-R460 PolarHBondContact OD1-N 3.21Å; D458-R460 IonicContact OD1-NE 3.28Å; D458-R460 PolarHBondContact OD1-NE 2.93Å; D458-R460 IonicContact OD1-NH2 3.37Å; D458-R460 PolarHBondContact OD1-NH2 2.96Å; D458-R460 IonicContact OD2-CZ 2.92Å; D458-R460 IonicContact OD2-NE 3.8Å; D458-R460 PolarHBondContact OD2-NE 3Å; D458-R460 IonicContact OD2-NH2 2.78Å; D458-R460 PolarHBondContact OD2-NH2 3.28Å; R460-L462 VanDerWaalsContact C-N 3.33Å
461Q95.7Very high97Very high107 Ų10748.5 Ų48.550%0.523%0.226SC..G310 helixtrans-84-9.3-180-63.4169.73100112.7W270 N456 D458 V459 N463W270-Q461 HydrophobicContact CH2-CB 3.64Å; W270-Q461 HydrophobicContact CZ2-CB 4.31Å; W270-Q461 WeakPolarHBondContact CZ2-O 3.31Å; N456-Q461 PolarHBondContact ND2-OE1 2.92Å; N456-Q461 VanDerWaalsContact ND2-OE1 3.15Å; D458-Q461 PolarHBondContact OD2-NE2 3.07Å; V459-Q461 PolarHBondContact O-N 3.02Å; Q461-N463 PolarHBondContact O-N 3.29Å
462L96.8Very high97.1Very high8 Ų848.3 Ų48.34%0.04223%0.225CC..  trans-72.4121.1-177.7-178.768.6000111.2W270 P311 N345 V459 R460 W464 Y467W270-L462 HydrophobicContact CB-CD1 4.1Å; W270-L462 VanDerWaalsContact CD1-CD1 3.42Å; W270-L462 HydrophobicContact CD2-CD1 3.41Å; W270-L462 VanDerWaalsContact CD2-CD1 3.41Å; W270-L462 HydrophobicContact CE3-CD1 4.1Å; W270-L462 HydrophobicContact CG-CD1 3.38Å; W270-L462 HydrophobicContact CZ2-CB 4.37Å; W270-L462 HydrophobicContact CZ2-CD1 4.3Å; P311-L462 HydrophobicContact CG-CD1 4.34Å; P311-L462 HydrophobicContact CG-CD2 4.2Å; N345-L462 PolarHBondContact ND2-O 3.27Å; V459-L462 VanDerWaalsContact O-CB 3.23Å; V459-L462 WeakPolarHBondContact O-CB 3.48Å; V459-L462 PolarHBondContact O-N 3.41Å; V459-L462 VanDerWaalsContact O-N 3.11Å; R460-L462 VanDerWaalsContact C-N 3.33Å; L462-W464 HydrophobicContact CD2-CD2 4.16Å; L462-W464 HydrophobicContact CD2-CE3 4.02Å; L462-W464 HydrophobicContact CD2-CH2 3.69Å; L462-W464 HydrophobicContact CD2-CZ2 3.83Å; L462-W464 HydrophobicContact CD2-CZ3 3.78Å; L462-Y467 HydrophobicContact CD1-CD2 3.97Å; L462-Y467 HydrophobicContact CD1-CG 3.88Å
463N97.8Very high97.1Very high81 Ų8145.1 Ų45.143%0.43322%0.215SC..  trans-89108.9169.7-174.5-83.9000110.6Q461 P465 E466 Y467Q461-N463 PolarHBondContact O-N 3.29Å; N463-P465 VanDerWaalsContact OD1-CD 3.26Å; N463-P465 WeakPolarHBondContact OD1-CD 3.48Å; N463-E466 HydrophobicContact CB-CB 4.19Å; N463-E466 PolarHBondContact O-N 2.92Å; N463-E466 WeakPolarHBondContact OD1-CB 3.25Å; N463-E466 PolarHBondContact OD1-N 3.19Å; N463-Y467 VanDerWaalsContact O-CB 3.3Å; N463-Y467 WeakPolarHBondContact O-CB 3.37Å; N463-Y467 PolarHBondContact O-N 2.85Å
464W97.6Very high97.1Very high17 Ų1736.7 Ų36.76%0.06418%0.179CC..Hα-helixtrans-59.2-47.7-176.7-71.3115.9000115.1L309 T341 N345 F347 L462 E466 Y467 I468L309-W464 HydrophobicContact CB-CH2 4.21Å; L309-W464 HydrophobicContact CB-CZ3 4.16Å; L309-W464 HydrophobicContact CD2-CZ3 4.35Å; L309-W464 WeakPolarHBondContact O-CH2 3.42Å; T341-W464 HydrophobicContact CG2-CH2 4.04Å; T341-W464 HydrophobicContact CG2-CZ2 4.03Å; N345-W464 WeakPolarHBondContact O-CZ2 3.28Å; N345-W464 PolarHBondContact O-NE1 2.9Å; N345-W464 VanDerWaalsContact O-NE1 3.08Å; N345-W464 PolarHBondContact OD1-NE1 3.19Å; F347-W464 HydrophobicContact CB-CD2 3.65Å; F347-W464 VanDerWaalsContact CB-CE2 3.4Å; F347-W464 HydrophobicContact CB-CE3 4.18Å; F347-W464 HydrophobicContact CB-CG 3.98Å; F347-W464 HydrophobicContact CB-CH2 4.21Å; F347-W464 HydrophobicContact CB-CZ2 3.7Å; F347-W464 HydrophobicContact CB-CZ3 4.45Å; F347-W464 AromaticContact CD1-CD2 3.72Å; F347-W464 HydrophobicContact CD1-CD2 3.72Å; F347-W464 AromaticContact CD1-CE3 3.47Å; F347-W464 HydrophobicContact CD1-CE3 3.47Å; F347-W464 VanDerWaalsContact CD1-CE3 3.47Å; F347-W464 HydrophobicContact CD1-CG 4.21Å; F347-W464 HydrophobicContact CD1-CH2 4.35Å; F347-W464 AromaticContact CD1-CZ3 3.83Å; F347-W464 HydrophobicContact CD1-CZ3 3.83Å; F347-W464 HydrophobicContact CD2-CB 3.73Å; F347-W464 AromaticContact CD2-CD1 3.99Å; F347-W464 HydrophobicContact CD2-CD2 4.01Å; F347-W464 AromaticContact CD2-CG 3.65Å; F347-W464 HydrophobicContact CD2-CG 3.65Å; F347-W464 HydrophobicContact CE1-CB 4.46Å; F347-W464 HydrophobicContact CE1-CD2 4.28Å; F347-W464 AromaticContact CE1-CE3 3.83Å; F347-W464 HydrophobicContact CE1-CE3 3.83Å; F347-W464 HydrophobicContact CE1-CZ3 4.4Å; F347-W464 HydrophobicContact CE2-CB 3.67Å; F347-W464 HydrophobicContact CE2-CG 4.1Å; F347-W464 HydrophobicContact CG-CB 4.2Å; F347-W464 AromaticContact CG-CD2 3.56Å; F347-W464 HydrophobicContact CG-CD2 3.56Å; F347-W464 AromaticContact CG-CE2 3.9Å; F347-W464 AromaticContact CG-CE3 3.85Å; F347-W464 HydrophobicContact CG-CE3 3.85Å; F347-W464 AromaticContact CG-CG 3.72Å; F347-W464 HydrophobicContact CG-CG 3.72Å; F347-W464 HydrophobicContact CG-CZ2 4.42Å; F347-W464 HydrophobicContact CG-CZ3 4.39Å; F347-W464 HydrophobicContact CZ-CB 4.08Å; L462-W464 HydrophobicContact CD2-CD2 4.16Å; L462-W464 HydrophobicContact CD2-CE3 4.02Å; L462-W464 HydrophobicContact CD2-CH2 3.69Å; L462-W464 HydrophobicContact CD2-CZ2 3.83Å; L462-W464 HydrophobicContact CD2-CZ3 3.78Å; W464-E466 PolarHBondContact O-N 2.88Å; W464-Y467 AromaticContact CE3-CD1 3.94Å; W464-Y467 HydrophobicContact CE3-CD1 3.94Å; W464-Y467 AromaticContact CZ3-CD1 3.88Å; W464-Y467 HydrophobicContact CZ3-CD1 3.88Å; W464-Y467 HydrophobicContact CZ3-CE1 4.14Å; W464-Y467 PolarHBondContact O-N 3.25Å; W464-I468 WeakPolarHBondContact O-CG1 3.42Å; W464-I468 PolarHBondContact O-N 2.95Å
465P97.1Very high97.1Very high56 Ų5634.3 Ų34.336%0.36416%0.164SC..Hα-helixtrans-55.6-46.9176.9-26.431.9000113.6N463 E469N463-P465 VanDerWaalsContact OD1-CD 3.26Å; N463-P465 WeakPolarHBondContact OD1-CD 3.48Å; P465-E469 PolarHBondContact O-N 3.41Å; P465-E469 VanDerWaalsContact O-N 3.11Å
466E97.4Very high97Very high112 Ų11234.4 Ų34.452%0.52317%0.165SC..Hα-helixtrans-66.7-45.3178.8-176.6-179.5178.400111.3N463 W464 I468 E469 N470N463-E466 HydrophobicContact CB-CB 4.19Å; N463-E466 PolarHBondContact O-N 2.92Å; N463-E466 WeakPolarHBondContact OD1-CB 3.25Å; N463-E466 PolarHBondContact OD1-N 3.19Å; W464-E466 PolarHBondContact O-N 2.88Å; E466-I468 PolarHBondContact O-N 3.14Å; E466-E469 PolarHBondContact O-N 2.84Å; E466-N470 WeakPolarHBondContact O-CB 3.44Å; E466-N470 PolarHBondContact O-N 3.35Å; E466-N470 PolarHBondContact O-ND2 2.85Å
467Y98.1Very high96.9Very high1 Ų137.4 Ų37.40%0.00418%0.177CC..Hα-helixtrans-58.7-46.8178.4176.5-109.7000112.1A268 W270 L309 P311 L462 N463 W464 E469 N470 Y471A268-Y467 PolarHBondContact N-OH 2.88Å; A268-Y467 WeakPolarHBondContact O-CE2 3.4Å; A268-Y467 PolarHBondContact O-OH 3.31Å; W270-Y467 HydrophobicContact CB-CD2 4Å; W270-Y467 HydrophobicContact CB-CE2 4.04Å; W270-Y467 HydrophobicContact CG-CD2 4.34Å; L309-Y467 HydrophobicContact CD2-CD1 4.45Å; L309-Y467 HydrophobicContact CD2-CE1 3.64Å; L309-Y467 HydrophobicContact CG-CE1 4.11Å; P311-Y467 HydrophobicContact CB-CE2 4.01Å; P311-Y467 HydrophobicContact CG-CD2 4.41Å; P311-Y467 HydrophobicContact CG-CE2 3.77Å; L462-Y467 HydrophobicContact CD1-CD2 3.97Å; L462-Y467 HydrophobicContact CD1-CG 3.88Å; N463-Y467 VanDerWaalsContact O-CB 3.3Å; N463-Y467 WeakPolarHBondContact O-CB 3.37Å; N463-Y467 PolarHBondContact O-N 2.85Å; W464-Y467 AromaticContact CE3-CD1 3.94Å; W464-Y467 HydrophobicContact CE3-CD1 3.94Å; W464-Y467 AromaticContact CZ3-CD1 3.88Å; W464-Y467 HydrophobicContact CZ3-CD1 3.88Å; W464-Y467 HydrophobicContact CZ3-CE1 4.14Å; W464-Y467 PolarHBondContact O-N 3.25Å; Y467-E469 PolarHBondContact O-N 3.39Å; Y467-N470 PolarHBondContact O-N 3.19Å; Y467-Y471 HydrophobicContact CE1-CD1 4.25Å; Y467-Y471 WeakPolarHBondContact O-CB 3.37Å; Y467-Y471 PolarHBondContact O-N 2.9Å
468I98Very high96.7Very high0 Ų039 Ų390%018%0.183CC..Hα-helixtrans-67.7-35.9179.1-65.2-60.5000111.9F288 L309 F347 H355 V356 W464 E466 Y471 C472F288-I468 HydrophobicContact CE2-CD1 4.43Å; F288-I468 HydrophobicContact CZ-CD1 4.46Å; L309-I468 HydrophobicContact CD2-CD1 3.91Å; F347-I468 HydrophobicContact CE1-CD1 3.92Å; F347-I468 HydrophobicContact CE1-CG1 3.73Å; F347-I468 HydrophobicContact CZ-CG1 3.85Å; H355-I468 HydrophobicContact CB-CB 4.02Å; H355-I468 HydrophobicContact CB-CG2 3.64Å; V356-I468 HydrophobicContact CG2-CG2 3.62Å; W464-I468 WeakPolarHBondContact O-CG1 3.42Å; W464-I468 PolarHBondContact O-N 2.95Å; E466-I468 PolarHBondContact O-N 3.14Å; I468-Y471 PolarHBondContact O-N 3.24Å; I468-C472 PolarHBondContact O-N 3.2Å; I468-C472 PolarHBondContact O-SG 3.03Å
469E97.4Very high96.6Very high49 Ų4938.3 Ų38.323%0.22918%0.18CC..Hα-helixtrans-62.9-49.5173.5178.7154.6-140.600111.5R362 N363 P465 E466 Y467 Y471 C472 I473R362-E469 IonicContact CZ-OE1 3.83Å; R362-E469 IonicContact CZ-OE2 2.68Å; R362-E469 IonicContact NE-OE1 2.73Å; R362-E469 PolarHBondContact NE-OE1 2.88Å; R362-E469 IonicContact NE-OE2 2.74Å; R362-E469 IonicContact NH2-OE1 3.42Å; R362-E469 PolarHBondContact NH2-OE1 3.07Å; R362-E469 VanDerWaalsContact NH2-OE1 3.09Å; R362-E469 IonicContact NH2-OE2 3.48Å; R362-E469 PolarHBondContact NH2-OE2 3.22Å; N363-E469 PolarHBondContact ND2-OE1 3.4Å; P465-E469 PolarHBondContact O-N 3.41Å; P465-E469 VanDerWaalsContact O-N 3.11Å; E466-E469 PolarHBondContact O-N 2.84Å; Y467-E469 PolarHBondContact O-N 3.39Å; E469-Y471 VanDerWaalsContact C-N 3.32Å; E469-Y471 PolarHBondContact O-N 2.93Å; E469-C472 PolarHBondContact O-N 3.35Å; E469-I473 HydrophobicContact CG-CD1 3.87Å; E469-I473 WeakPolarHBondContact O-CG1 3.45Å; E469-I473 PolarHBondContact O-N 2.61Å
470N97.9Very high96.5Very high44 Ų4440.3 Ų40.324%0.23519%0.191CC..Hα-helixtrans-61.4-39.4176.9-74.9-28.2000111.9P275 G276 E466 Y467 I473 G474P275-N470 HydrophobicContact CB-CB 4.3Å; G276-N470 WeakPolarHBondContact CA-O 3.4Å; E466-N470 WeakPolarHBondContact O-CB 3.44Å; E466-N470 PolarHBondContact O-N 3.35Å; E466-N470 PolarHBondContact O-ND2 2.85Å; Y467-N470 PolarHBondContact O-N 3.19Å; N470-I473 PolarHBondContact O-N 3.38Å; N470-G474 PolarHBondContact O-N 3.14Å
471Y97.9Very high96.4Very high1 Ų139.2 Ų39.20%0.00420%0.196CC..Hα-helixtrans-62-49.6174.1-167.8169.1000110.7A268 I278 P284 S285 F288 L309 Y467 I468 E469 I473 G474 T475A268-Y471 HydrophobicContact CB-CD1 4.09Å; A268-Y471 HydrophobicContact CB-CD2 3.41Å; A268-Y471 VanDerWaalsContact CB-CD2 3.41Å; A268-Y471 HydrophobicContact CB-CE1 4.37Å; A268-Y471 HydrophobicContact CB-CE2 3.77Å; A268-Y471 HydrophobicContact CB-CG 3.62Å; I278-Y471 HydrophobicContact CB-CE2 4.47Å; I278-Y471 HydrophobicContact CG1-CE2 4.27Å; I278-Y471 HydrophobicContact CG2-CD2 4.39Å; I278-Y471 HydrophobicContact CG2-CE2 4.22Å; P284-Y471 HydrophobicContact CB-CE1 4.34Å; S285-Y471 PolarHBondContact N-OH 2.89Å; S285-Y471 WeakPolarHBondContact OG-CE2 3.44Å; S285-Y471 PolarHBondContact OG-OH 2.98Å; F288-Y471 HydrophobicContact CD2-CD1 4.34Å; F288-Y471 HydrophobicContact CD2-CD2 4.48Å; F288-Y471 HydrophobicContact CD2-CE1 4.34Å; F288-Y471 HydrophobicContact CD2-CE2 4.47Å; F288-Y471 HydrophobicContact CD2-CG 4.4Å; F288-Y471 AromaticContact CE2-CD1 3.75Å; F288-Y471 HydrophobicContact CE2-CD1 3.75Å; F288-Y471 AromaticContact CE2-CE1 3.8Å; F288-Y471 HydrophobicContact CE2-CE1 3.8Å; F288-Y471 HydrophobicContact CE2-CG 4.2Å; L309-Y471 HydrophobicContact CD1-CE1 4.37Å; L309-Y471 HydrophobicContact CD2-CD1 4.36Å; L309-Y471 HydrophobicContact CD2-CE1 4.27Å; Y467-Y471 HydrophobicContact CE1-CD1 4.25Å; Y467-Y471 WeakPolarHBondContact O-CB 3.37Å; Y467-Y471 PolarHBondContact O-N 2.9Å; I468-Y471 PolarHBondContact O-N 3.24Å; E469-Y471 VanDerWaalsContact C-N 3.32Å; E469-Y471 PolarHBondContact O-N 2.93Å; Y471-I473 VanDerWaalsContact C-N 3.35Å; Y471-I473 PolarHBondContact O-N 2.83Å; Y471-G474 CarbonylContact O-C 3.57Å; Y471-G474 WeakPolarHBondContact O-CA 3.24Å; Y471-G474 PolarHBondContact O-N 3.49Å; Y471-T475 HydrophobicContact CD2-CG2 3.94Å; Y471-T475 HydrophobicContact CE2-CG2 3.9Å; Y471-T475 WeakPolarHBondContact O-CG2 3.36Å; Y471-T475 PolarHBondContact O-N 3.32Å
472C97.7Very high96.4Very high1 Ų135 Ų351%0.00718%0.177CC..Hα-helixtrans-59-44.7177.9-68.10000112.2S359 F360 I468 E469 G474 T475 K476S359-C472 VanDerWaalsContact OG-CB 3.22Å; S359-C472 WeakPolarHBondContact OG-CB 3.36Å; F360-C472 HydrophobicContact CD1-CB 4.46Å; F360-C472 HydrophobicContact CE1-CB 3.9Å; F360-C472 HydrophobicContact CE2-CB 4.37Å; F360-C472 HydrophobicContact CZ-CB 3.86Å; I468-C472 PolarHBondContact O-N 3.2Å; I468-C472 PolarHBondContact O-SG 3.03Å; E469-C472 PolarHBondContact O-N 3.35Å; C472-G474 VanDerWaalsContact C-N 3.28Å; C472-G474 PolarHBondContact O-N 2.96Å; C472-T475 PolarHBondContact O-N 3.38Å; C472-T475 PolarHBondContact O-OG1 3.41Å; C472-K476 PolarHBondContact O-N 3.47Å
473I96.8Very high96.1Very high39 Ų3939.1 Ų39.120%0.220%0.199CC..Hα-helixtrans-60.9-41.4174.3-68.3167.6000110.6N363 E469 N470 Y471 T475 K476 K477 M484N363-I473 HydrophobicContact CB-CG1 4.31Å; E469-I473 HydrophobicContact CG-CD1 3.87Å; E469-I473 WeakPolarHBondContact O-CG1 3.45Å; E469-I473 PolarHBondContact O-N 2.61Å; N470-I473 PolarHBondContact O-N 3.38Å; Y471-I473 VanDerWaalsContact C-N 3.35Å; Y471-I473 PolarHBondContact O-N 2.83Å; I473-T475 PolarHBondContact O-N 3.47Å; I473-K476 WeakPolarHBondContact O-CB 3.46Å; I473-K476 PolarHBondContact O-N 3.25Å; I473-K476 VanDerWaalsContact O-N 3.12Å; I473-K477 PolarHBondContact O-N 3.29Å; I473-M484 HydrophobicContact CG2-CE 3.65Å; I473-M484 HydrophobicContact CG2-SD 4.09Å
474G96.2Very high95.9Very high1 Ų138.3 Ų38.31%0.0119%0.193CC..Hα-helixtrans-55.3-46173.900000113.5G276 N470 Y471 C472 K476 K477 Y478G276-G474 WeakPolarHBondContact O-CA 3.18Å; N470-G474 PolarHBondContact O-N 3.14Å; Y471-G474 CarbonylContact O-C 3.57Å; Y471-G474 WeakPolarHBondContact O-CA 3.24Å; Y471-G474 PolarHBondContact O-N 3.49Å; C472-G474 VanDerWaalsContact C-N 3.28Å; C472-G474 PolarHBondContact O-N 2.96Å; G474-K476 VanDerWaalsContact C-N 3.28Å; G474-K476 PolarHBondContact O-N 3.05Å; G474-K477 PolarHBondContact O-N 3.46Å; G474-Y478 WeakPolarHBondContact O-CB 3.2Å; G474-Y478 WeakPolarHBondContact O-CD2 3.45Å; G474-Y478 PolarHBondContact O-N 3.27Å
475T96.7Very high95.7Very high0 Ų041.2 Ų41.20%022%0.216CC..Iπ-helixtrans-62.2-36.4176.2670000112.4I278 I289 Y471 C472 I473 V479 L480I278-T475 HydrophobicContact CG2-CG2 4.33Å; I289-T475 HydrophobicContact CD1-CG2 4.43Å; I289-T475 HydrophobicContact CG1-CG2 4.25Å; Y471-T475 HydrophobicContact CD2-CG2 3.94Å; Y471-T475 HydrophobicContact CE2-CG2 3.9Å; Y471-T475 WeakPolarHBondContact O-CG2 3.36Å; Y471-T475 PolarHBondContact O-N 3.32Å; C472-T475 PolarHBondContact O-N 3.38Å; C472-T475 PolarHBondContact O-OG1 3.41Å; I473-T475 PolarHBondContact O-N 3.47Å; T475-V479 WeakPolarHBondContact O-CB 3.32Å; T475-V479 PolarHBondContact O-N 2.79Å; T475-L480 PolarHBondContact O-N 3.05Å
476K95.3Very high95.5Very high2 Ų241.8 Ų41.81%0.00922%0.216CC..Iπ-helixtrans-63.1-54.2173.4-177.5176.4166.172.50110.7L365 E366 C472 I473 G474 N481 E482 D483 M484L365-K476 HydrophobicContact CD2-CB 3.63Å; L365-K476 HydrophobicContact CD2-CD 4.35Å; L365-K476 HydrophobicContact CD2-CG 3.93Å; E366-K476 IonicContact OE1-NZ 3.62Å; E366-K476 PolarHBondContact OE1-NZ 2.65Å; C472-K476 PolarHBondContact O-N 3.47Å; I473-K476 WeakPolarHBondContact O-CB 3.46Å; I473-K476 PolarHBondContact O-N 3.25Å; I473-K476 VanDerWaalsContact O-N 3.12Å; G474-K476 VanDerWaalsContact C-N 3.28Å; G474-K476 PolarHBondContact O-N 3.05Å; K476-N481 PolarHBondContact O-N 3.21Å; K476-E482 HydrophobicContact CD-CB 4.38Å; K476-E482 HydrophobicContact CG-CB 3.55Å; K476-E482 HydrophobicContact CG-CG 4.41Å; K476-E482 WeakPolarHBondContact CG-OE2 3.35Å; K476-E482 IonicContact NZ-OE2 3.63Å; K476-E482 PolarHBondContact NZ-OE2 3.47Å; K476-E482 WeakPolarHBondContact O-CB 3.44Å; K476-E482 PolarHBondContact O-N 2.88Å; K476-D483 WeakPolarHBondContact CE-O 3.38Å; K476-D483 PolarHBondContact NZ-O 3.42Å; K476-M484 HydrophobicContact CD-SD 3.96Å; K476-M484 HydrophobicContact CG-SD 4.49Å
477K94.1Very high95.3Very high80 Ų8037.2 Ų37.235%0.34820%0.195SC..Iπ-helixtrans-73.9-42.3-169.9-173.4175.1171.2-164.90113.8I473 G474 N481I473-K477 PolarHBondContact O-N 3.29Å; G474-K477 PolarHBondContact O-N 3.46Å; K477-N481 WeakPolarHBondContact O-CA 3.18Å
478Y92.9Very high95.2Very high37 Ų3741.1 Ų41.115%0.14522%0.22CC..Iπ-helixtrans-108.3-26-166-53.8-57.3000113.8K97 F274 G276 I278 G474K97-Y478 HydrophobicContact CD-CE1 4.45Å; F274-Y478 HydrophobicContact CD2-CE2 4.22Å; F274-Y478 AromaticContact CD2-CZ 3.87Å; F274-Y478 WeakPolarHBondContact CD2-OH 3.48Å; F274-Y478 AromaticContact CE2-CE1 3.74Å; F274-Y478 HydrophobicContact CE2-CE1 3.74Å; F274-Y478 AromaticContact CE2-CE2 3.71Å; F274-Y478 HydrophobicContact CE2-CE2 3.71Å; F274-Y478 AromaticContact CE2-CZ 3.25Å; F274-Y478 WeakPolarHBondContact CE2-OH 3.39Å; F274-Y478 HydrophobicContact CZ-CE1 4.21Å; G276-Y478 WeakPolarHBondContact O-CD2 3.1Å; I278-Y478 WeakPolarHBondContact O-CB 3.39Å; G474-Y478 WeakPolarHBondContact O-CB 3.2Å; G474-Y478 WeakPolarHBondContact O-CD2 3.45Å; G474-Y478 PolarHBondContact O-N 3.27Å
479V94.7Very high95.1Very high11 Ų1143.7 Ų43.77%0.06724%0.242CC..Iπ-helixtrans-98-45.5179.8179.40000110.9I278 F281 I289 T475I278-V479 HydrophobicContact CB-CG2 4.49Å; I278-V479 HydrophobicContact CG1-CG2 4.26Å; I278-V479 HydrophobicContact CG2-CG2 3.85Å; I278-V479 WeakPolarHBondContact O-CG2 3.37Å; F281-V479 HydrophobicContact CD1-CG1 3.75Å; F281-V479 HydrophobicContact CD2-CG1 3.78Å; F281-V479 HydrophobicContact CE1-CG1 3.47Å; F281-V479 VanDerWaalsContact CE1-CG1 3.47Å; F281-V479 HydrophobicContact CE2-CG1 3.48Å; F281-V479 VanDerWaalsContact CE2-CG1 3.48Å; F281-V479 HydrophobicContact CG-CG1 3.91Å; F281-V479 HydrophobicContact CZ-CG1 3.32Å; I289-V479 HydrophobicContact CD1-CB 4.16Å; I289-V479 HydrophobicContact CD1-CG1 3.62Å; T475-V479 WeakPolarHBondContact O-CB 3.32Å; T475-V479 PolarHBondContact O-N 2.79Å
480L95.2Very high95Very high44 Ų4441.6 Ų41.623%0.2323%0.233CC..SBendtrans-88.3-12177.7-62.1173.3000113.4F281 I289 L365 T475 E482F281-L480 HydrophobicContact CE1-CD2 4.06Å; F281-L480 HydrophobicContact CZ-CD2 4.24Å; I289-L480 HydrophobicContact CD1-CD1 4.49Å; I289-L480 HydrophobicContact CD1-CD2 4.33Å; I289-L480 HydrophobicContact CD1-CG 4.2Å; I289-L480 HydrophobicContact CG1-CD1 4.25Å; I289-L480 HydrophobicContact CG2-CD1 4.11Å; I289-L480 HydrophobicContact CG2-CD2 4.11Å; L365-L480 HydrophobicContact CD1-CD1 3.81Å; L365-L480 HydrophobicContact CD2-CD1 3.77Å; L365-L480 HydrophobicContact CG-CD1 4.27Å; T475-L480 PolarHBondContact O-N 3.05Å; L480-E482 HydrophobicContact CB-CG 3.88Å; L480-E482 PolarHBondContact O-N 3.43Å
481N93.9Very high94.8Very high132 Ų13244.9 Ų44.971%0.70624%0.242SC*.  trans53.635.4-176.4-57.5-67.7000113K476 K477K476-N481 PolarHBondContact O-N 3.21Å; K477-N481 WeakPolarHBondContact O-CA 3.18Å
482E94.7Very high94.7Very high19 Ų1950.9 Ų50.99%0.08927%0.27CS..  trans-85.8144.6178.8-76.7-177.8-162.400110.9K293 L365 E366 K476 L480K293-E482 IonicContact NZ-OE1 3.89Å; K293-E482 PolarHBondContact NZ-OE1 2.89Å; L365-E482 WeakPolarHBondContact CA-OE2 3.48Å; E366-E482 HydrophobicContact CB-CG 4.27Å; E366-E482 HydrophobicContact CG-CG 4.34Å; E366-E482 PolarHBondContact N-OE1 3.37Å; E366-E482 PolarHBondContact N-OE2 2.85Å; E366-E482 VanDerWaalsContact OE1-CB 3.24Å; E366-E482 WeakPolarHBondContact OE1-CB 3.38Å; K476-E482 HydrophobicContact CD-CB 4.38Å; K476-E482 HydrophobicContact CG-CB 3.55Å; K476-E482 HydrophobicContact CG-CG 4.41Å; K476-E482 WeakPolarHBondContact CG-OE2 3.35Å; K476-E482 IonicContact NZ-OE2 3.63Å; K476-E482 PolarHBondContact NZ-OE2 3.47Å; K476-E482 WeakPolarHBondContact O-CB 3.44Å; K476-E482 PolarHBondContact O-N 2.88Å; L480-E482 HydrophobicContact CB-CG 3.88Å; L480-E482 PolarHBondContact O-N 3.43Å
483D91.8Very high94.6Very high94 Ų9453.7 Ų53.750%0.50328%0.283SS..  trans-79.9141.6178.5-156-38.8000110.7K476 S485 D486K476-D483 WeakPolarHBondContact CE-O 3.38Å; K476-D483 PolarHBondContact NZ-O 3.42Å; D483-S485 VanDerWaalsContact C-N 3.27Å; D483-S485 PolarHBondContact OD1-N 2.98Å; D483-S485 PolarHBondContact OD1-OG 3.1Å; D483-D486 PolarHBondContact O-N 2.76Å
484M92.7Very high94.5Very high65 Ų6552.5 Ų52.532%0.3228%0.277SS..G310 helixtrans-72.4-23.9173.7-63.4-58.6-71.500111.6I473 K476 D486 I487I473-M484 HydrophobicContact CG2-CE 3.65Å; I473-M484 HydrophobicContact CG2-SD 4.09Å; K476-M484 HydrophobicContact CD-SD 3.96Å; K476-M484 HydrophobicContact CG-SD 4.49Å; M484-D486 PolarHBondContact O-N 3.03Å; M484-I487 HydrophobicContact CE-CD1 3.6Å; M484-I487 WeakPolarHBondContact O-CD1 3.45Å; M484-I487 WeakPolarHBondContact O-CG1 3.48Å; M484-I487 PolarHBondContact O-N 2.99Å; M484-I487 HydrophobicContact SD-CD1 4.3Å
485S93.8Very high94.4Very high78 Ų7859 Ų5955%0.54530%0.301SS..G310 helixtrans-63.7-23.9173.9640000113.2D483 I487 P488D483-S485 VanDerWaalsContact C-N 3.27Å; D483-S485 PolarHBondContact OD1-N 2.98Å; D483-S485 PolarHBondContact OD1-OG 3.1Å; S485-I487 VanDerWaalsContact C-N 3.31Å; S485-I487 PolarHBondContact O-N 3.38Å; S485-P488 WeakPolarHBondContact O-CD 3.42Å
486D93.3Very high94.4Very high67 Ų6765.8 Ų65.836%0.35833%0.33SS..G310 helixtrans-86.71.8-175.3-69.5-29.6000114E366 D483 M484 P488 A489 A490E366-D486 HydrophobicContact CG-CB 4.37Å; D483-D486 PolarHBondContact O-N 2.76Å; M484-D486 PolarHBondContact O-N 3.03Å; D486-P488 VanDerWaalsContact C-CD 3.45Å; D486-A489 WeakPolarHBondContact O-CB 3.41Å; D486-A489 PolarHBondContact O-N 2.83Å; D486-A489 VanDerWaalsContact O-N 3.08Å; D486-A490 PolarHBondContact O-N 2.95Å
487I93.5Very high94.3Very high17 Ų1767.2 Ų67.29%0.08734%0.338CS..Hα-helixtrans-52.2-44.3175.1-73.4173.1000113M484 S485 A489 A490 R491M484-I487 HydrophobicContact CE-CD1 3.6Å; M484-I487 WeakPolarHBondContact O-CD1 3.45Å; M484-I487 WeakPolarHBondContact O-CG1 3.48Å; M484-I487 PolarHBondContact O-N 2.99Å; M484-I487 HydrophobicContact SD-CD1 4.3Å; S485-I487 VanDerWaalsContact C-N 3.31Å; S485-I487 PolarHBondContact O-N 3.38Å; I487-A489 VanDerWaalsContact C-N 3.33Å; I487-A489 PolarHBondContact O-N 3.28Å; I487-A490 PolarHBondContact O-N 3.45Å; I487-R491 HydrophobicContact CG2-CG 4.32Å; I487-R491 WeakPolarHBondContact O-CB 3.13Å; I487-R491 VanDerWaalsContact O-CG 3.32Å; I487-R491 WeakPolarHBondContact O-CG 3.33Å; I487-R491 PolarHBondContact O-N 2.74Å
488P95.1Very high94.3Very high82 Ų8267.7 Ų67.753%0.53234%0.338SS..Hα-helixtrans-60.1-41176.9-23.936000112.9S485 D486 R491 Q492S485-P488 WeakPolarHBondContact O-CD 3.42Å; D486-P488 VanDerWaalsContact C-CD 3.45Å; P488-R491 PolarHBondContact O-N 2.77Å; P488-Q492 PolarHBondContact O-N 2.89Å
489A95.3Very high94.4Very high55 Ų5569.9 Ų69.946%0.45535%0.352SS..Hα-helixtrans-66.9-44.717700000111.1D486 I487 R491 Q492 H493D486-A489 WeakPolarHBondContact O-CB 3.41Å; D486-A489 PolarHBondContact O-N 2.83Å; D486-A489 VanDerWaalsContact O-N 3.08Å; I487-A489 VanDerWaalsContact C-N 3.33Å; I487-A489 PolarHBondContact O-N 3.28Å; A489-R491 VanDerWaalsContact C-N 3.33Å; A489-R491 PolarHBondContact O-N 2.95Å; A489-Q492 WeakPolarHBondContact O-CB 3.42Å; A489-Q492 PolarHBondContact O-N 3.5Å; A489-Q492 VanDerWaalsContact O-N 3.1Å; A489-H493 PolarHBondContact O-N 2.87Å
490A94.9Very high94.3Very high4 Ų473.9 Ų73.93%0.03337%0.372CS..Hα-helixtrans-60.9-39.7174.600000112.1P364 E366 D486 I487 Q492 H493 L494P364-A490 HydrophobicContact CB-CB 4.25Å; P364-A490 HydrophobicContact CG-CB 3.8Å; E366-A490 HydrophobicContact CG-CB 4.29Å; D486-A490 PolarHBondContact O-N 2.95Å; I487-A490 PolarHBondContact O-N 3.45Å; A490-Q492 PolarHBondContact O-N 3.45Å; A490-H493 WeakPolarHBondContact O-CB 3.4Å; A490-H493 PolarHBondContact O-N 3.18Å; A490-L494 PolarHBondContact O-N 3Å
491R95.1Very high94Very high113 Ų11376.5 Ų76.543%0.42638%0.379SS..Hα-helixtrans-63.4-39.4172.4-73.8177.4-177.6165.74.5111.9R362 P364 I487 P488 A489 L494 R495R362-R491 VanDerWaalsContact O-CZ 3.3Å; R362-R491 PolarHBondContact O-NE 3.34Å; R362-R491 PolarHBondContact O-NH2 3.46Å; P364-R491 HydrophobicContact CG-CB 4.42Å; P364-R491 HydrophobicContact CG-CG 3.62Å; I487-R491 HydrophobicContact CG2-CG 4.32Å; I487-R491 WeakPolarHBondContact O-CB 3.13Å; I487-R491 VanDerWaalsContact O-CG 3.32Å; I487-R491 WeakPolarHBondContact O-CG 3.33Å; I487-R491 PolarHBondContact O-N 2.74Å; P488-R491 PolarHBondContact O-N 2.77Å; A489-R491 VanDerWaalsContact C-N 3.33Å; A489-R491 PolarHBondContact O-N 2.95Å; R491-L494 PolarHBondContact O-N 2.84Å; R491-R495 WeakPolarHBondContact O-CG 3.36Å; R491-R495 PolarHBondContact O-N 3.43Å
492Q95.1Very high94Very high127 Ų12775.9 Ų75.959%0.59337%0.367SS*.Hα-helixtrans-63.8-43174.4-171.9179.69.900111.6P488 A489 A490 L494 R495 K496P488-Q492 PolarHBondContact O-N 2.89Å; A489-Q492 WeakPolarHBondContact O-CB 3.42Å; A489-Q492 PolarHBondContact O-N 3.5Å; A489-Q492 VanDerWaalsContact O-N 3.1Å; A490-Q492 PolarHBondContact O-N 3.45Å; Q492-L494 PolarHBondContact O-N 3.48Å; Q492-R495 WeakPolarHBondContact O-CB 3.43Å; Q492-R495 PolarHBondContact O-N 3.05Å; Q492-R495 VanDerWaalsContact O-N 3.15Å; Q492-K496 PolarHBondContact O-N 2.96Å
493H95.4Very high94Very high61 Ų6178.9 Ų78.928%0.28239%0.387SS..Hα-helixtrans-58.2-46173.6-179.258.1000111.7A368 A489 A490 R495 K496 L497A368-H493 PolarHBondContact O-NE2 3Å; A489-H493 PolarHBondContact O-N 2.87Å; A490-H493 WeakPolarHBondContact O-CB 3.4Å; A490-H493 PolarHBondContact O-N 3.18Å; H493-R495 VanDerWaalsContact C-N 3.32Å; H493-R495 PolarHBondContact O-N 2.91Å; H493-K496 WeakPolarHBondContact O-CB 3.49Å; H493-K496 PolarHBondContact O-N 3.35Å; H493-K496 VanDerWaalsContact O-N 3.11Å; H493-L497 WeakPolarHBondContact O-CG 3.5Å; H493-L497 PolarHBondContact O-N 3.36Å
494L94.6Very high93.9Very high14 Ų1480.6 Ų80.67%0.07339%0.39CS..Hα-helixtrans-63.1-34.5175.1-69.6-162.7000113.5P364 A368 R371 P372 A490 R491 Q492 L497 R498P364-L494 HydrophobicContact CB-CD1 3.44Å; P364-L494 VanDerWaalsContact CB-CD1 3.44Å; P364-L494 HydrophobicContact CB-CG 4.02Å; P364-L494 HydrophobicContact CG-CD1 4.24Å; A368-L494 HydrophobicContact CB-CD2 3.79Å; R371-L494 HydrophobicContact CG-CD2 4.37Å; P372-L494 HydrophobicContact CG-CD1 4.4Å; A490-L494 PolarHBondContact O-N 3Å; R491-L494 PolarHBondContact O-N 2.84Å; Q492-L494 PolarHBondContact O-N 3.48Å; L494-L497 HydrophobicContact CD2-CD1 3.99Å; L494-L497 PolarHBondContact O-N 3.3Å; L494-R498 WeakPolarHBondContact O-CB 3.38Å; L494-R498 PolarHBondContact O-N 3.08Å
495R95Very high93.8Very high137 Ų13780.9 Ų80.952%0.51739%0.393SS..Hα-helixtrans-65.6-40.3172.4-74.3-175.7-70.8-167.70.9111.3R491 Q492 H493 R498 N499R491-R495 WeakPolarHBondContact O-CG 3.36Å; R491-R495 PolarHBondContact O-N 3.43Å; Q492-R495 WeakPolarHBondContact O-CB 3.43Å; Q492-R495 PolarHBondContact O-N 3.05Å; Q492-R495 VanDerWaalsContact O-N 3.15Å; H493-R495 VanDerWaalsContact C-N 3.32Å; H493-R495 PolarHBondContact O-N 2.91Å; R495-R498 WeakPolarHBondContact O-CB 3.27Å; R495-R498 PolarHBondContact O-N 3.33Å; R495-N499 PolarHBondContact O-N 2.94Å; R495-N499 PolarHBondContact O-OD1 3.3Å
496K95.4Very high93.8Very high142 Ų14281.3 Ų81.362%0.61739%0.392SS*.Hα-helixtrans-60.9-48.7173.3-174.4-179.3179.1-179.70111Q492 H493 R498 N499 I500Q492-K496 PolarHBondContact O-N 2.96Å; H493-K496 WeakPolarHBondContact O-CB 3.49Å; H493-K496 PolarHBondContact O-N 3.35Å; H493-K496 VanDerWaalsContact O-N 3.11Å; K496-R498 VanDerWaalsContact C-N 3.29Å; K496-R498 PolarHBondContact O-N 3.04Å; K496-N499 PolarHBondContact O-N 2.97Å; K496-N499 VanDerWaalsContact O-N 3.14Å; K496-I500 HydrophobicContact CG-CD1 4.06Å; K496-I500 WeakPolarHBondContact O-CG1 3.35Å; K496-I500 PolarHBondContact O-N 3.38Å
497L93.9Very high93.8Very high33 Ų3383.5 Ų83.517%0.17340%0.404CS..Hα-helixtrans-59.9-38175.6-66.8177.5000112.5A368 R371 H493 L494 R501A368-L497 VanDerWaalsContact O-CD1 3.31Å; A368-L497 WeakPolarHBondContact O-CD1 3.08Å; R371-L497 HydrophobicContact CG-CB 4.05Å; H493-L497 WeakPolarHBondContact O-CG 3.5Å; H493-L497 PolarHBondContact O-N 3.36Å; L494-L497 HydrophobicContact CD2-CD1 3.99Å; L494-L497 PolarHBondContact O-N 3.3Å; L497-R501 WeakPolarHBondContact O-CB 2.97Å; L497-R501 PolarHBondContact O-N 3.11Å
498R94.3Very high93.7Very high90 Ų9086.3 Ų86.334%0.3442%0.419SS..Hα-helixtrans-60-49173.8-176.6-175.766.5-176.90.4110.9L494 R495 K496 R501 Y502L494-R498 WeakPolarHBondContact O-CB 3.38Å; L494-R498 PolarHBondContact O-N 3.08Å; R495-R498 WeakPolarHBondContact O-CB 3.27Å; R495-R498 PolarHBondContact O-N 3.33Å; K496-R498 VanDerWaalsContact C-N 3.29Å; K496-R498 PolarHBondContact O-N 3.04Å; R498-R501 PolarHBondContact O-N 2.99Å; R498-Y502 HydrophobicContact CG-CD2 3.79Å; R498-Y502 HydrophobicContact CG-CE2 3.33Å; R498-Y502 WeakPolarHBondContact O-CD2 3.44Å; R498-Y502 PolarHBondContact O-N 3.36Å
499N95Very high93.6Very high82 Ų8287 Ų8744%0.43942%0.421SS..Hα-helixtrans-65.7-43.1-178.2-65-1000110.7R495 K496 R501 Y502 T503R495-N499 PolarHBondContact O-N 2.94Å; R495-N499 PolarHBondContact O-OD1 3.3Å; K496-N499 PolarHBondContact O-N 2.97Å; K496-N499 VanDerWaalsContact O-N 3.14Å; N499-R501 VanDerWaalsContact C-N 3.3Å; N499-R501 PolarHBondContact O-N 2.97Å; N499-Y502 PolarHBondContact O-N 3.46Å; N499-T503 WeakPolarHBondContact O-CB 3.41Å; N499-T503 PolarHBondContact O-N 3.46Å; N499-T503 PolarHBondContact O-OG1 2.93Å; N499-T503 VanDerWaalsContact O-OG1 3.05Å
500I92.5Very high93.4Very high96 Ų9688 Ų8849%0.49242%0.421SS..Hα-helixtrans-54.7-47.5173.2-69.5166.7000110.7K496 T503 F504K496-I500 HydrophobicContact CG-CD1 4.06Å; K496-I500 WeakPolarHBondContact O-CG1 3.35Å; K496-I500 PolarHBondContact O-N 3.38Å; I500-T503 PolarHBondContact O-N 2.9Å; I500-F504 WeakPolarHBondContact O-CB 3.3Å; I500-F504 PolarHBondContact O-N 2.89Å
501R89.4Confident93.3Very high99 Ų9994.3 Ų94.337%0.37445%0.448SS..Hα-helixtrans-61.9-45.2178-174.7-178.972.5163.64.5112.1L497 R498 N499 F504 N505L497-R501 WeakPolarHBondContact O-CB 2.97Å; L497-R501 PolarHBondContact O-N 3.11Å; R498-R501 PolarHBondContact O-N 2.99Å; N499-R501 VanDerWaalsContact C-N 3.3Å; N499-R501 PolarHBondContact O-N 2.97Å; R501-F504 PolarHBondContact O-N 3.23Å; R501-N505 WeakPolarHBondContact O-CB 3.49Å; R501-N505 VanDerWaalsContact O-CG 3.25Å; R501-N505 PolarHBondContact O-N 2.91Å; R501-N505 PolarHBondContact O-OD1 3.43Å
502Y93.3Very high93.1Very high119 Ų11993.6 Ų93.647%0.46745%0.452SS..Hα-helixtrans-64.6-44.8178.5-69.7-36.2000111.7R498 N499 F504 N505 T506R498-Y502 HydrophobicContact CG-CD2 3.79Å; R498-Y502 HydrophobicContact CG-CE2 3.33Å; R498-Y502 WeakPolarHBondContact O-CD2 3.44Å; R498-Y502 PolarHBondContact O-N 3.36Å; N499-Y502 PolarHBondContact O-N 3.46Å; Y502-F504 PolarHBondContact O-N 3.22Å; Y502-N505 PolarHBondContact O-N 2.88Å; Y502-T506 WeakPolarHBondContact O-CB 3.26Å; Y502-T506 PolarHBondContact O-N 3.03Å; Y502-T506 PolarHBondContact O-OG1 2.88Å
503T93.9Very high92.7Very high82 Ų8292.2 Ų92.250%0.50344%0.441SS..Hα-helixtrans-58.9-48175-57.80000111.2N499 I500 N505 T506 L507N499-T503 WeakPolarHBondContact O-CB 3.41Å; N499-T503 PolarHBondContact O-N 3.46Å; N499-T503 PolarHBondContact O-OG1 2.93Å; N499-T503 VanDerWaalsContact O-OG1 3.05Å; I500-T503 PolarHBondContact O-N 2.9Å; T503-N505 PolarHBondContact O-N 3.09Å; T503-T506 PolarHBondContact O-N 2.93Å; T503-L507 HydrophobicContact CG2-CD1 4.04Å; T503-L507 HydrophobicContact CG2-CG 4.42Å; T503-L507 WeakPolarHBondContact O-CB 3.27Å; T503-L507 VanDerWaalsContact O-CG 3.28Å; T503-L507 WeakPolarHBondContact O-CG 3.45Å; T503-L507 PolarHBondContact O-N 3.23Å
504F90.8Very high92.3Very high129 Ų12998.5 Ų98.557%0.56646%0.463SS*.Hα-helixtrans-59.1-49177.4177.7-95.8000112I500 R501 Y502 T506 L507 L508I500-F504 WeakPolarHBondContact O-CB 3.3Å; I500-F504 PolarHBondContact O-N 2.89Å; R501-F504 PolarHBondContact O-N 3.23Å; Y502-F504 PolarHBondContact O-N 3.22Å; F504-T506 PolarHBondContact O-N 3.29Å; F504-L507 PolarHBondContact O-N 2.9Å; F504-L508 HydrophobicContact CE1-CD2 4.22Å; F504-L508 WeakPolarHBondContact O-CB 3.32Å; F504-L508 PolarHBondContact O-N 3.39Å
505N89.7Confident92.1Very high72 Ų72100.9 Ų100.939%0.38548%0.478SS..Hα-helixtrans-62.9-42.5179.2-73.42.4000111.7R501 Y502 T503 L508 V509R501-N505 WeakPolarHBondContact O-CB 3.49Å; R501-N505 VanDerWaalsContact O-CG 3.25Å; R501-N505 PolarHBondContact O-N 2.91Å; R501-N505 PolarHBondContact O-OD1 3.43Å; Y502-N505 PolarHBondContact O-N 2.88Å; T503-N505 PolarHBondContact O-N 3.09Å; N505-L508 PolarHBondContact O-N 3.35Å; N505-V509 WeakPolarHBondContact O-CB 3.22Å; N505-V509 VanDerWaalsContact O-CG2 3.27Å; N505-V509 WeakPolarHBondContact O-CG2 3.26Å; N505-V509 PolarHBondContact O-N 3.48Å
506T93.5Very high91.8Very high86 Ų8699.8 Ų99.853%0.52848%0.477SS..Hα-helixtrans-62.5-45.9176.7-61.50000111.1Y502 T503 F504 L508 V509 V510Y502-T506 WeakPolarHBondContact O-CB 3.26Å; Y502-T506 PolarHBondContact O-N 3.03Å; Y502-T506 PolarHBondContact O-OG1 2.88Å; T503-T506 PolarHBondContact O-N 2.93Å; F504-T506 PolarHBondContact O-N 3.29Å; T506-L508 VanDerWaalsContact C-N 3.35Å; T506-L508 PolarHBondContact O-N 2.89Å; T506-V509 PolarHBondContact O-N 3.36Å; T506-V510 HydrophobicContact CG2-CG2 4.5Å; T506-V510 WeakPolarHBondContact O-CB 3.47Å; T506-V510 VanDerWaalsContact O-CG2 3.26Å; T506-V510 WeakPolarHBondContact O-CG2 3.46Å; T506-V510 PolarHBondContact O-N 2.87Å
507L94.3Very high91.5Very high113 Ų11394.3 Ų94.359%0.59245%0.454SS*.Hα-helixtrans-62.4-41.7176.3-71.3175.3000112T503 F504 V510 F511T503-L507 HydrophobicContact CG2-CD1 4.04Å; T503-L507 HydrophobicContact CG2-CG 4.42Å; T503-L507 WeakPolarHBondContact O-CB 3.27Å; T503-L507 VanDerWaalsContact O-CG 3.28Å; T503-L507 WeakPolarHBondContact O-CG 3.45Å; T503-L507 PolarHBondContact O-N 3.23Å; F504-L507 PolarHBondContact O-N 2.9Å; L507-V510 PolarHBondContact O-N 2.88Å; L507-F511 WeakPolarHBondContact O-CB 3.34Å; L507-F511 PolarHBondContact O-N 3.33Å
508L90.8Very high91.1Very high77 Ų7796 Ų9640%0.40347%0.472SS..Hα-helixtrans-63-45.3176.8-176.466000111.4F504 N505 T506 F511 I512F504-L508 HydrophobicContact CE1-CD2 4.22Å; F504-L508 WeakPolarHBondContact O-CB 3.32Å; F504-L508 PolarHBondContact O-N 3.39Å; N505-L508 PolarHBondContact O-N 3.35Å; T506-L508 VanDerWaalsContact C-N 3.35Å; T506-L508 PolarHBondContact O-N 2.89Å; L508-F511 PolarHBondContact O-N 3.13Å; L508-I512 HydrophobicContact CD1-CD1 4.2Å; L508-I512 HydrophobicContact CD1-CG1 4.49Å; L508-I512 HydrophobicContact CG-CD1 3.93Å; L508-I512 WeakPolarHBondContact O-CB 3.19Å; L508-I512 VanDerWaalsContact O-CG1 3.28Å; L508-I512 WeakPolarHBondContact O-CG1 3.39Å; L508-I512 PolarHBondContact O-N 3.48Å
509V92.7Very high90.8Very high96 Ų96102.3 Ų102.358%0.58250%0.496SS*.Hα-helixtrans-61.9-45.6175.91690000110.8N505 T506 F511 I512 W513N505-V509 WeakPolarHBondContact O-CB 3.22Å; N505-V509 VanDerWaalsContact O-CG2 3.27Å; N505-V509 WeakPolarHBondContact O-CG2 3.26Å; N505-V509 PolarHBondContact O-N 3.48Å; T506-V509 PolarHBondContact O-N 3.36Å; V509-F511 VanDerWaalsContact C-N 3.31Å; V509-F511 PolarHBondContact O-N 3.36Å; V509-I512 PolarHBondContact O-N 2.9Å; V509-W513 WeakPolarHBondContact O-CB 3.17Å; V509-W513 PolarHBondContact O-N 3.4Å
510V91.7Very high90.6Very high76 Ų76100 Ų10046%0.46149%0.486SS..Hα-helixtrans-61-41.3176.6169.20000111.3T506 L507 R514T506-V510 HydrophobicContact CG2-CG2 4.5Å; T506-V510 WeakPolarHBondContact O-CB 3.47Å; T506-V510 VanDerWaalsContact O-CG2 3.26Å; T506-V510 WeakPolarHBondContact O-CG2 3.46Å; T506-V510 PolarHBondContact O-N 2.87Å; L507-V510 PolarHBondContact O-N 2.88Å; V510-R514 WeakPolarHBondContact O-CB 3.27Å; V510-R514 PolarHBondContact O-N 3.44Å
511F92.5Very high90.3Very high136 Ų136100.5 Ų100.560%0.59649%0.486SS*.Hα-helixtrans-64.6-50.7177.2178-98.3000111.9L507 L508 V509 W513 R514 V515L507-F511 WeakPolarHBondContact O-CB 3.34Å; L507-F511 PolarHBondContact O-N 3.33Å; L508-F511 PolarHBondContact O-N 3.13Å; V509-F511 VanDerWaalsContact C-N 3.31Å; V509-F511 PolarHBondContact O-N 3.36Å; F511-W513 VanDerWaalsContact C-N 3.31Å; F511-W513 PolarHBondContact O-N 3.44Å; F511-R514 PolarHBondContact O-N 3.17Å; F511-V515 HydrophobicContact CD1-CG2 4.48Å; F511-V515 HydrophobicContact CE1-CG2 4.08Å; F511-V515 HydrophobicContact CE2-CG2 4.35Å; F511-V515 HydrophobicContact CZ-CG2 4.01Å; F511-V515 WeakPolarHBondContact O-CG2 3.45Å; F511-V515 PolarHBondContact O-N 3.32Å
512I90.3Very high90.1Very high99 Ų99102.2 Ų102.251%0.50850%0.501SS..Hα-helixtrans-58.3-45.8176.8-69.1168.6000110.2L508 V509 R514 V515 F516L508-I512 HydrophobicContact CD1-CD1 4.2Å; L508-I512 HydrophobicContact CD1-CG1 4.49Å; L508-I512 HydrophobicContact CG-CD1 3.93Å; L508-I512 WeakPolarHBondContact O-CB 3.19Å; L508-I512 VanDerWaalsContact O-CG1 3.28Å; L508-I512 WeakPolarHBondContact O-CG1 3.39Å; L508-I512 PolarHBondContact O-N 3.48Å; V509-I512 PolarHBondContact O-N 2.9Å; I512-R514 PolarHBondContact O-N 3.48Å; I512-V515 PolarHBondContact O-N 2.91Å; I512-F516 WeakPolarHBondContact O-CB 3.41Å; I512-F516 PolarHBondContact O-N 3.33Å
513W87.4Confident89.7Confident97 Ų9796.9 Ų96.937%0.36748%0.481SS..Hα-helixtrans-60.1-44.1177.8-176.3-117.3000112.1V509 F511 F516 I517 W527V509-W513 WeakPolarHBondContact O-CB 3.17Å; V509-W513 PolarHBondContact O-N 3.4Å; F511-W513 VanDerWaalsContact C-N 3.31Å; F511-W513 PolarHBondContact O-N 3.44Å; W513-F516 HydrophobicContact CE3-CD1 4.27Å; W513-F516 HydrophobicContact CZ3-CD1 4Å; W513-F516 HydrophobicContact CZ3-CE1 4.41Å; W513-F516 PolarHBondContact O-N 2.98Å; W513-I517 HydrophobicContact CD2-CD1 4.1Å; W513-I517 HydrophobicContact CD2-CG1 4.25Å; W513-I517 HydrophobicContact CG-CD1 4.34Å; W513-I517 HydrophobicContact CZ2-CD1 3.64Å; W513-I517 HydrophobicContact CZ2-CG1 4.03Å; W513-I517 WeakPolarHBondContact O-CB 3.34Å; W513-I517 WeakPolarHBondContact O-CG1 3.44Å; W513-I517 PolarHBondContact O-N 2.91Å; W513-W527 AromaticContact CE2-CE3 3.88Å; W513-W527 HydrophobicContact CZ2-CB 4.33Å; W513-W527 HydrophobicContact CZ2-CD2 4.21Å; W513-W527 AromaticContact CZ2-CE3 3.61Å; W513-W527 HydrophobicContact CZ2-CE3 3.61Å; W513-W527 HydrophobicContact CZ2-CZ3 4.28Å; W513-W527 AromaticContact NE1-CD2 3.84Å; W513-W527 AromaticContact NE1-CE3 3.54Å; W513-W527 AromaticContact NE1-CZ3 3.67Å
514R87.9Confident89.5Confident194 Ų19496.3 Ų96.373%0.73247%0.469SS*.Hα-helixtrans-61.2-44.6174.9-88.6-154.4176.1-167.71.5112.5V510 F511 I512 F516 A518V510-R514 WeakPolarHBondContact O-CB 3.27Å; V510-R514 PolarHBondContact O-N 3.44Å; F511-R514 PolarHBondContact O-N 3.17Å; I512-R514 PolarHBondContact O-N 3.48Å; R514-F516 VanDerWaalsContact C-N 3.33Å; R514-A518 VanDerWaalsContact O-CB 3.27Å; R514-A518 WeakPolarHBondContact O-CB 3.28Å; R514-A518 PolarHBondContact O-N 2.99Å
515V89.3Confident89.3Confident64 Ų6494.5 Ų94.539%0.38847%0.465SS..Hα-helixtrans-63.6-41.7177.8173.30000110.6F511 I512 A518 R519F511-V515 HydrophobicContact CD1-CG2 4.48Å; F511-V515 HydrophobicContact CE1-CG2 4.08Å; F511-V515 HydrophobicContact CE2-CG2 4.35Å; F511-V515 HydrophobicContact CZ-CG2 4.01Å; F511-V515 WeakPolarHBondContact O-CG2 3.45Å; F511-V515 PolarHBondContact O-N 3.32Å; I512-V515 PolarHBondContact O-N 2.91Å; V515-A518 PolarHBondContact O-N 3.41Å; V515-R519 PolarHBondContact O-N 3.19Å; V515-R519 VanDerWaalsContact O-N 3.13Å
516F88.5Confident89.1Confident113 Ų11395.2 Ų95.250%0.49647%0.468SS..Hα-helixtrans-64.6-48178.8-174.5-107.4000112.3I512 W513 R514 A518 R519 S520 A523I512-F516 WeakPolarHBondContact O-CB 3.41Å; I512-F516 PolarHBondContact O-N 3.33Å; W513-F516 HydrophobicContact CE3-CD1 4.27Å; W513-F516 HydrophobicContact CZ3-CD1 4Å; W513-F516 HydrophobicContact CZ3-CE1 4.41Å; W513-F516 PolarHBondContact O-N 2.98Å; R514-F516 VanDerWaalsContact C-N 3.33Å; F516-A518 VanDerWaalsContact C-N 3.33Å; F516-A518 PolarHBondContact O-N 3.19Å; F516-R519 PolarHBondContact O-N 3.33Å; F516-S520 WeakPolarHBondContact O-CB 3.39Å; F516-S520 PolarHBondContact O-N 2.8Å; F516-A523 HydrophobicContact CD1-CB 3.66Å; F516-A523 HydrophobicContact CE1-CB 3.46Å; F516-A523 VanDerWaalsContact CE1-CB 3.46Å; F516-A523 HydrophobicContact CZ-CB 4.36Å
517I89.8Confident88.7Confident28 Ų2896.4 Ų96.414%0.14446%0.463CS..Hα-helixtrans-60.3-42.3173.5-74.1-176000111.2W513 R519 S520 A523 R524 W527W513-I517 HydrophobicContact CD2-CD1 4.1Å; W513-I517 HydrophobicContact CD2-CG1 4.25Å; W513-I517 HydrophobicContact CG-CD1 4.34Å; W513-I517 HydrophobicContact CZ2-CD1 3.64Å; W513-I517 HydrophobicContact CZ2-CG1 4.03Å; W513-I517 WeakPolarHBondContact O-CB 3.34Å; W513-I517 WeakPolarHBondContact O-CG1 3.44Å; W513-I517 PolarHBondContact O-N 2.91Å; I517-R519 PolarHBondContact O-N 2.78Å; I517-S520 PolarHBondContact O-N 3.19Å; I517-A523 HydrophobicContact CG1-CB 4.31Å; I517-R524 HydrophobicContact CG2-CB 4.47Å; I517-R524 HydrophobicContact CG2-CG 3.48Å; I517-R524 VanDerWaalsContact CG2-CG 3.48Å; I517-R524 WeakPolarHBondContact O-CG 3.41Å; I517-R524 PolarHBondContact O-NH1 3.3Å; I517-R524 VanDerWaalsContact O-NH1 3.11Å; I517-W527 HydrophobicContact CD1-CB 3.76Å; I517-W527 HydrophobicContact CD1-CD2 4Å; I517-W527 HydrophobicContact CD1-CG 3.58Å
518A85.4Confident88.4Confident67 Ų6798.5 Ų98.555%0.55446%0.464SS*.Hα-helixtrans-60.5-33.1179.300000112R514 V515 F516 R524R514-A518 VanDerWaalsContact O-CB 3.27Å; R514-A518 WeakPolarHBondContact O-CB 3.28Å; R514-A518 PolarHBondContact O-N 2.99Å; V515-A518 PolarHBondContact O-N 3.41Å; F516-A518 VanDerWaalsContact C-N 3.33Å; F516-A518 PolarHBondContact O-N 3.19Å; A518-R524 PolarHBondContact O-NH1 2.84Å
519R88.4Confident88.2Confident224 Ų224101.4 Ų101.485%0.84547%0.474SS*.Hα-helixtrans-98.7-9.2-176.7-64.2-157.2179.4179.71.7115.7V515 F516 I517V515-R519 PolarHBondContact O-N 3.19Å; V515-R519 VanDerWaalsContact O-N 3.13Å; F516-R519 PolarHBondContact O-N 3.33Å; I517-R519 PolarHBondContact O-N 2.78Å
520S89.7Confident87.9Confident33 Ų3399.8 Ų99.823%0.23146%0.464CS..  trans-125.5116.3-179.2175.90000112.5F516 I517 M522 A523 R524F516-S520 WeakPolarHBondContact O-CB 3.39Å; F516-S520 PolarHBondContact O-N 2.8Å; I517-S520 PolarHBondContact O-N 3.19Å; S520-M522 VanDerWaalsContact C-N 3.31Å; S520-M522 PolarHBondContact O-N 2.94Å; S520-A523 PolarHBondContact O-N 3.46Å; S520-A523 PolarHBondContact OG-N 2.98Å; S520-R524 PolarHBondContact O-N 3.45Å
521Q86.8Confident87.7Confident106 Ų10698.1 Ų98.150%0.49545%0.454SS..Hα-helixtrans-63.1-38.5174.6-1746539.300111.7R524 N525Q521-R524 WeakPolarHBondContact O-CB 3.34Å; Q521-R524 PolarHBondContact O-N 2.9Å; Q521-R524 VanDerWaalsContact OE1-CZ 3.29Å; Q521-R524 VanDerWaalsContact OE1-NE 3.11Å; Q521-N525 PolarHBondContact NE2-OD1 3.22Å; Q521-N525 VanDerWaalsContact O-CG 3.23Å; Q521-N525 PolarHBondContact O-N 2.88Å; Q521-N525 PolarHBondContact O-OD1 2.91Å
522M86.1Confident87.4Confident136 Ų13694.2 Ų94.267%0.6744%0.444SS*.Hα-helixtrans-61.7-44.3176-177.6-179.9174.900111.1S520 R524 N525 I526S520-M522 VanDerWaalsContact C-N 3.31Å; S520-M522 PolarHBondContact O-N 2.94Å; M522-R524 PolarHBondContact O-N 3.32Å; M522-N525 PolarHBondContact O-N 3.26Å; M522-I526 HydrophobicContact CE-CD1 4.01Å; M522-I526 HydrophobicContact CG-CD1 3.95Å; M522-I526 WeakPolarHBondContact O-CG1 3.31Å; M522-I526 PolarHBondContact O-N 3.4Å
523A84.9Confident87.2Confident6 Ų694.2 Ų94.25%0.0544%0.444CS..Hα-helixtrans-63.9-40.1177.400000112.3F516 I517 S520 W527F516-A523 HydrophobicContact CD1-CB 3.66Å; F516-A523 HydrophobicContact CE1-CB 3.46Å; F516-A523 VanDerWaalsContact CE1-CB 3.46Å; F516-A523 HydrophobicContact CZ-CB 4.36Å; I517-A523 HydrophobicContact CG1-CB 4.31Å; S520-A523 PolarHBondContact O-N 3.46Å; S520-A523 PolarHBondContact OG-N 2.98Å; A523-W527 VanDerWaalsContact O-CB 3.31Å; A523-W527 WeakPolarHBondContact O-CB 3.43Å; A523-W527 PolarHBondContact O-N 3.42Å
524R88.3Confident87.2Confident71 Ų7192.8 Ų92.827%0.26845%0.448SS..Hα-helixtrans-56.6-51.6171.1-80.9-172.5-69.3-104.115.9111.7I517 A518 S520 Q521 M522 I526 W527 Y528I517-R524 HydrophobicContact CG2-CB 4.47Å; I517-R524 HydrophobicContact CG2-CG 3.48Å; I517-R524 VanDerWaalsContact CG2-CG 3.48Å; I517-R524 WeakPolarHBondContact O-CG 3.41Å; I517-R524 PolarHBondContact O-NH1 3.3Å; I517-R524 VanDerWaalsContact O-NH1 3.11Å; A518-R524 PolarHBondContact O-NH1 2.84Å; S520-R524 PolarHBondContact O-N 3.45Å; Q521-R524 WeakPolarHBondContact O-CB 3.34Å; Q521-R524 PolarHBondContact O-N 2.9Å; Q521-R524 VanDerWaalsContact OE1-CZ 3.29Å; Q521-R524 VanDerWaalsContact OE1-NE 3.11Å; M522-R524 PolarHBondContact O-N 3.32Å; R524-I526 PolarHBondContact O-N 2.88Å; R524-W527 PolarHBondContact O-N 3.3Å; R524-Y528 HydrophobicContact CB-CD2 4.36Å; R524-Y528 HydrophobicContact CB-CE2 4.23Å; R524-Y528 WeakPolarHBondContact O-CD2 3.49Å; R524-Y528 PolarHBondContact O-N 3.41Å
525N87.3Confident87.2Confident90 Ų9090.3 Ų90.348%0.48144%0.443SS..Hα-helixtrans-62.5-43.8-176-67.5-3000111.4Q521 M522 Y528 F529Q521-N525 PolarHBondContact NE2-OD1 3.22Å; Q521-N525 VanDerWaalsContact O-CG 3.23Å; Q521-N525 PolarHBondContact O-N 2.88Å; Q521-N525 PolarHBondContact O-OD1 2.91Å; M522-N525 PolarHBondContact O-N 3.26Å; N525-Y528 PolarHBondContact O-N 3.46Å; N525-F529 WeakPolarHBondContact O-CB 3.19Å; N525-F529 PolarHBondContact O-N 2.86Å
526I85.7Confident87Confident87 Ų8793.9 Ų93.945%0.44645%0.454SS..Hα-helixtrans-61.5-44.4174.7-67.5168.8000110.7M522 R524 F529 V530M522-I526 HydrophobicContact CE-CD1 4.01Å; M522-I526 HydrophobicContact CG-CD1 3.95Å; M522-I526 WeakPolarHBondContact O-CG1 3.31Å; M522-I526 PolarHBondContact O-N 3.4Å; R524-I526 PolarHBondContact O-N 2.88Å; I526-F529 WeakPolarHBondContact O-CB 3.45Å; I526-F529 PolarHBondContact O-N 3.1Å; I526-V530 HydrophobicContact CG2-CG2 4.41Å; I526-V530 WeakPolarHBondContact O-CG2 3.48Å; I526-V530 PolarHBondContact O-N 3.28Å
527W85.9Confident86.9Confident112 Ų11294.9 Ų94.942%0.42446%0.458SS..Hα-helixtrans-61.9-47.1178.4178.8-109000112.5W513 I517 A523 R524 F529 V530 V531W513-W527 AromaticContact CE2-CE3 3.88Å; W513-W527 HydrophobicContact CZ2-CB 4.33Å; W513-W527 HydrophobicContact CZ2-CD2 4.21Å; W513-W527 AromaticContact CZ2-CE3 3.61Å; W513-W527 HydrophobicContact CZ2-CE3 3.61Å; W513-W527 HydrophobicContact CZ2-CZ3 4.28Å; W513-W527 AromaticContact NE1-CD2 3.84Å; W513-W527 AromaticContact NE1-CE3 3.54Å; W513-W527 AromaticContact NE1-CZ3 3.67Å; I517-W527 HydrophobicContact CD1-CB 3.76Å; I517-W527 HydrophobicContact CD1-CD2 4Å; I517-W527 HydrophobicContact CD1-CG 3.58Å; A523-W527 VanDerWaalsContact O-CB 3.31Å; A523-W527 WeakPolarHBondContact O-CB 3.43Å; A523-W527 PolarHBondContact O-N 3.42Å; R524-W527 PolarHBondContact O-N 3.3Å; W527-F529 VanDerWaalsContact C-N 3.3Å; W527-F529 PolarHBondContact O-N 2.87Å; W527-V530 PolarHBondContact O-N 2.9Å; W527-V531 HydrophobicContact CD2-CG2 3.93Å; W527-V531 HydrophobicContact CE3-CG2 4.4Å; W527-V531 HydrophobicContact CG-CG2 4.4Å; W527-V531 HydrophobicContact CH2-CG2 4.25Å; W527-V531 HydrophobicContact CZ2-CG2 3.73Å; W527-V531 WeakPolarHBondContact O-CB 3.18Å; W527-V531 VanDerWaalsContact O-CG2 3.3Å; W527-V531 WeakPolarHBondContact O-CG2 3.36Å; W527-V531 PolarHBondContact O-N 3.43Å
528Y86.5Confident86.6Confident156 Ų15699 Ų9961%0.61248%0.479SS*.Hα-helixtrans-60.9-39.8175.9-76.1-63000112.2R524 N525 S532R524-Y528 HydrophobicContact CB-CD2 4.36Å; R524-Y528 HydrophobicContact CB-CE2 4.23Å; R524-Y528 WeakPolarHBondContact O-CD2 3.49Å; R524-Y528 PolarHBondContact O-N 3.41Å; N525-Y528 PolarHBondContact O-N 3.46Å; Y528-S532 WeakPolarHBondContact O-CB 3.48Å; Y528-S532 PolarHBondContact O-N 3.24Å
529F87.4Confident86.3Confident138 Ų13899 Ų9961%0.60548%0.476SS*.Hα-helixtrans-61.2-49.5175.1177.7-98.6000111.9N525 I526 W527 S532 L533N525-F529 WeakPolarHBondContact O-CB 3.19Å; N525-F529 PolarHBondContact O-N 2.86Å; I526-F529 WeakPolarHBondContact O-CB 3.45Å; I526-F529 PolarHBondContact O-N 3.1Å; W527-F529 VanDerWaalsContact C-N 3.3Å; W527-F529 PolarHBondContact O-N 2.87Å; F529-S532 PolarHBondContact O-N 3.34Å; F529-L533 WeakPolarHBondContact O-CB 3.45Å; F529-L533 PolarHBondContact O-N 3.44Å
530V86.7Confident86.1Confident63 Ų6396 Ų9638%0.38247%0.466SS..Hα-helixtrans-62.6-46.1178.8172.30000111.4I526 W527 S532 L533 C534I526-V530 HydrophobicContact CG2-CG2 4.41Å; I526-V530 WeakPolarHBondContact O-CG2 3.48Å; I526-V530 PolarHBondContact O-N 3.28Å; W527-V530 PolarHBondContact O-N 2.9Å; V530-S532 VanDerWaalsContact C-N 3.34Å; V530-S532 PolarHBondContact O-N 2.93Å; V530-L533 WeakPolarHBondContact O-CB 3.42Å; V530-L533 PolarHBondContact O-N 3.45Å; V530-C534 PolarHBondContact O-N 3.43Å; V530-C534 PolarHBondContact O-SG 3.45Å; V530-C534 VanDerWaalsContact O-SG 3.38Å
531V86.9Confident85.5Confident41 Ų41100.2 Ų100.225%0.24848%0.48CS..Hα-helixtrans-62.4-42.8177.91720000110.8W527 L533 C534 F535W527-V531 HydrophobicContact CD2-CG2 3.93Å; W527-V531 HydrophobicContact CE3-CG2 4.4Å; W527-V531 HydrophobicContact CG-CG2 4.4Å; W527-V531 HydrophobicContact CH2-CG2 4.25Å; W527-V531 HydrophobicContact CZ2-CG2 3.73Å; W527-V531 WeakPolarHBondContact O-CB 3.18Å; W527-V531 VanDerWaalsContact O-CG2 3.3Å; W527-V531 WeakPolarHBondContact O-CG2 3.36Å; W527-V531 PolarHBondContact O-N 3.43Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 3.35Å; V531-C534 PolarHBondContact O-N 3.12Å; V531-F535 HydrophobicContact CG1-CD2 3.66Å; V531-F535 HydrophobicContact CG1-CE2 3.59Å; V531-F535 VanDerWaalsContact O-CD2 3.27Å; V531-F535 WeakPolarHBondContact O-CD2 3.28Å; V531-F535 PolarHBondContact O-N 3.24Å
532S85.4Confident84.8Confident53 Ų53104.6 Ų104.637%0.37149%0.492SS..Hα-helixtrans-60.6-41.9175-175.50000112.1Y528 F529 V530 F535 K536Y528-S532 WeakPolarHBondContact O-CB 3.48Å; Y528-S532 PolarHBondContact O-N 3.24Å; F529-S532 PolarHBondContact O-N 3.34Å; V530-S532 VanDerWaalsContact C-N 3.34Å; V530-S532 PolarHBondContact O-N 2.93Å; S532-F535 PolarHBondContact O-N 2.79Å; S532-K536 WeakPolarHBondContact O-CG 3.36Å; S532-K536 PolarHBondContact O-N 2.96Å
533L87.8Confident84.2Confident99 Ų99100.5 Ų100.552%0.51848%0.479SS..Hα-helixtrans-61.4-46.6175.9-161.588.8000111.2F529 V530 V531 F535 K536 F537F529-L533 WeakPolarHBondContact O-CB 3.45Å; F529-L533 PolarHBondContact O-N 3.44Å; V530-L533 WeakPolarHBondContact O-CB 3.42Å; V530-L533 PolarHBondContact O-N 3.45Å; V531-L533 VanDerWaalsContact C-N 3.34Å; V531-L533 PolarHBondContact O-N 3.35Å; L533-F535 PolarHBondContact O-N 2.9Å; L533-K536 PolarHBondContact O-N 3.03Å; L533-F537 WeakPolarHBondContact O-CB 3.36Å; L533-F537 PolarHBondContact O-N 3.32Å
534C87.2Confident83.4Confident67 Ų67102.9 Ų102.945%0.45350%0.496SS..Hα-helixtrans-60.9-42.8177.1-69.80000112.3V530 V531 F537 L538V530-C534 PolarHBondContact O-N 3.43Å; V530-C534 PolarHBondContact O-SG 3.45Å; V530-C534 VanDerWaalsContact O-SG 3.38Å; V531-C534 PolarHBondContact O-N 3.12Å; C534-F537 PolarHBondContact O-N 3.47Å; C534-L538 WeakPolarHBondContact O-CB 3.3Å; C534-L538 WeakPolarHBondContact O-CG 3.45Å; C534-L538 PolarHBondContact O-N 2.99Å
535F87.4Confident82.2Confident142 Ų142102.6 Ų102.662%0.62351%0.505SS*.Hα-helixtrans-64.1-41.7176-87.5-71000112.2V531 S532 L533 F537 L538 S539V531-F535 HydrophobicContact CG1-CD2 3.66Å; V531-F535 HydrophobicContact CG1-CE2 3.59Å; V531-F535 VanDerWaalsContact O-CD2 3.27Å; V531-F535 WeakPolarHBondContact O-CD2 3.28Å; V531-F535 PolarHBondContact O-N 3.24Å; S532-F535 PolarHBondContact O-N 2.79Å; L533-F535 PolarHBondContact O-N 2.9Å; F535-F537 VanDerWaalsContact C-N 3.33Å; F535-F537 PolarHBondContact O-N 2.99Å; F535-L538 PolarHBondContact O-N 2.89Å; F535-S539 WeakPolarHBondContact O-CB 3.38Å; F535-S539 PolarHBondContact O-N 3.49Å; F535-S539 PolarHBondContact O-OG 3.33Å
536K86Confident81Confident140 Ų140103.3 Ų103.361%0.60951%0.512SS*.Hα-helixtrans-63-38.9174.5-74.8178-180-178.80112.1S532 L533 S539 Y540S532-K536 WeakPolarHBondContact O-CG 3.36Å; S532-K536 PolarHBondContact O-N 2.96Å; L533-K536 PolarHBondContact O-N 3.03Å; K536-S539 WeakPolarHBondContact CA-OG 3.32Å; K536-S539 PolarHBondContact O-OG 3.16Å; K536-Y540 WeakPolarHBondContact O-CB 3.29Å; K536-Y540 PolarHBondContact O-N 3.38Å
537F85.9Confident79.6Confident134 Ų134106.2 Ų106.259%0.58853%0.528SS*.Hα-helixtrans-68.2-45177.4-142.4-105.9000111.4L533 C534 F535 S539 Y540 F541L533-F537 WeakPolarHBondContact O-CB 3.36Å; L533-F537 PolarHBondContact O-N 3.32Å; C534-F537 PolarHBondContact O-N 3.47Å; F535-F537 VanDerWaalsContact C-N 3.33Å; F535-F537 PolarHBondContact O-N 2.99Å; F537-S539 PolarHBondContact O-N 3.3Å; F537-Y540 WeakPolarHBondContact O-CB 3.45Å; F537-Y540 PolarHBondContact O-N 3.26Å; F537-F541 AromaticContact CD1-CD2 3.98Å; F537-F541 HydrophobicContact CD1-CD2 3.98Å; F537-F541 AromaticContact CD1-CE2 3.74Å; F537-F541 HydrophobicContact CD1-CE2 3.74Å; F537-F541 HydrophobicContact CE1-CD2 4.19Å; F537-F541 AromaticContact CE1-CE2 3.47Å; F537-F541 HydrophobicContact CE1-CE2 3.47Å; F537-F541 VanDerWaalsContact CE1-CE2 3.47Å; F537-F541 HydrophobicContact CE1-CZ 4.46Å; F537-F541 HydrophobicContact CZ-CE2 4.24Å; F537-F541 WeakPolarHBondContact O-CD2 3.07Å; F537-F541 PolarHBondContact O-N 3.06Å
538L82.8Confident78.1Confident114 Ų114106.4 Ų106.460%0.59754%0.542SS*.Hα-helixtrans-63.6-39.1175.2-75.6167.9000112.4C534 F535 Y540 F541 R542C534-L538 WeakPolarHBondContact O-CB 3.3Å; C534-L538 WeakPolarHBondContact O-CG 3.45Å; C534-L538 PolarHBondContact O-N 2.99Å; F535-L538 PolarHBondContact O-N 2.89Å; L538-Y540 VanDerWaalsContact C-N 3.34Å; L538-F541 PolarHBondContact O-N 3.3Å; L538-R542 PolarHBondContact O-N 2.95Å
539S79.3Confident76Confident68 Ų68109.2 Ų109.248%0.47657%0.568SS.*Hα-helixtrans-66.6-37.3175.5650000111.8F535 K536 F537 R542 A543F535-S539 WeakPolarHBondContact O-CB 3.38Å; F535-S539 PolarHBondContact O-N 3.49Å; F535-S539 PolarHBondContact O-OG 3.33Å; K536-S539 WeakPolarHBondContact CA-OG 3.32Å; K536-S539 PolarHBondContact O-OG 3.16Å; F537-S539 PolarHBondContact O-N 3.3Å; S539-R542 PolarHBondContact O-N 3.2Å; S539-A543 WeakPolarHBondContact O-CB 3.43Å; S539-A543 PolarHBondContact O-N 3.45Å
540Y83.1Confident75.4Confident161 Ų161107.8 Ų107.863%0.63157%0.566SS**Hα-helixtrans-63.5-44.8175-175.9-95000111.7K536 F537 L538 A543 S544K536-Y540 WeakPolarHBondContact O-CB 3.29Å; K536-Y540 PolarHBondContact O-N 3.38Å; F537-Y540 WeakPolarHBondContact O-CB 3.45Å; F537-Y540 PolarHBondContact O-N 3.26Å; L538-Y540 VanDerWaalsContact C-N 3.34Å; Y540-A543 PolarHBondContact O-N 3.11Å; Y540-S544 WeakPolarHBondContact O-CB 3.32Å; Y540-S544 PolarHBondContact O-N 3.13Å
541F77.2Confident74.8Confident121 Ų121110.2 Ų110.253%0.53158%0.575SS.*Hα-helixtrans-64.3-40.5175-90.5-81000113F537 L538 S544 S545F537-F541 AromaticContact CD1-CD2 3.98Å; F537-F541 HydrophobicContact CD1-CD2 3.98Å; F537-F541 AromaticContact CD1-CE2 3.74Å; F537-F541 HydrophobicContact CD1-CE2 3.74Å; F537-F541 HydrophobicContact CE1-CD2 4.19Å; F537-F541 AromaticContact CE1-CE2 3.47Å; F537-F541 HydrophobicContact CE1-CE2 3.47Å; F537-F541 VanDerWaalsContact CE1-CE2 3.47Å; F537-F541 HydrophobicContact CE1-CZ 4.46Å; F537-F541 HydrophobicContact CZ-CE2 4.24Å; F537-F541 WeakPolarHBondContact O-CD2 3.07Å; F537-F541 PolarHBondContact O-N 3.06Å; L538-F541 PolarHBondContact O-N 3.3Å; F541-S544 PolarHBondContact O-N 2.98Å; F541-S545 WeakPolarHBondContact O-CB 3.4Å; F541-S545 PolarHBondContact O-N 3.46Å; F541-S545 PolarHBondContact O-OG 3.19Å
542R72.9Confident74.1Confident197 Ų197114 Ų11474%0.74359%0.594SS**Hα-helixtrans-61.3-44.5174-107.2-177.8178.2173.3-0.7112.2L538 S539 S545 T546L538-R542 PolarHBondContact O-N 2.95Å; S539-R542 PolarHBondContact O-N 3.2Å; R542-S545 PolarHBondContact O-N 3.4Å; R542-S545 PolarHBondContact O-OG 3.46Å; R542-T546 PolarHBondContact O-N 3.04Å; R542-T546 PolarHBondContact O-OG1 3.46Å
543A72.8Confident73.5Confident50 Ų50117.6 Ų117.641%0.41361%0.607SS.*Hα-helixtrans-66.9-38.5177.900000111.9S539 Y540 T546 L547S539-A543 WeakPolarHBondContact O-CB 3.43Å; S539-A543 PolarHBondContact O-N 3.45Å; Y540-A543 PolarHBondContact O-N 3.11Å; A543-T546 WeakPolarHBondContact CA-OG1 3.45Å; A543-T546 PolarHBondContact O-N 3.24Å; A543-T546 PolarHBondContact O-OG1 3.35Å; A543-L547 WeakPolarHBondContact O-CD1 3.32Å; A543-L547 WeakPolarHBondContact O-CG 3.27Å; A543-L547 PolarHBondContact O-N 2.91Å
544S68.6Low72.6Confident57 Ų57118.8 Ų118.840%0.39961%0.612SS.*Hα-helixtrans-70-35.3177.1-170.40000112.4Y540 F541 L547 T548Y540-S544 WeakPolarHBondContact O-CB 3.32Å; Y540-S544 PolarHBondContact O-N 3.13Å; F541-S544 PolarHBondContact O-N 2.98Å; S544-L547 PolarHBondContact O-N 2.97Å; S544-T548 PolarHBondContact O-OG1 3.23Å
545S63.9Low71.6Confident65 Ų65122.2 Ų122.246%0.45562%0.623SS.*Hα-helixtrans-72.6-27.5177.465.30000113F541 R542 L547 T548F541-S545 WeakPolarHBondContact O-CB 3.4Å; F541-S545 PolarHBondContact O-N 3.46Å; F541-S545 PolarHBondContact O-OG 3.19Å; R542-S545 PolarHBondContact O-N 3.4Å; R542-S545 PolarHBondContact O-OG 3.46Å; S545-L547 VanDerWaalsContact C-N 3.3Å; S545-T548 PolarHBondContact O-OG1 2.87Å
546T60.8Low70.5Confident104 Ų104120.8 Ų120.864%0.63862%0.623SS**THydrogen-bonded Turntrans-77.5-12.8173.943.40000113.8R542 A543R542-T546 PolarHBondContact O-N 3.04Å; R542-T546 PolarHBondContact O-OG1 3.46Å; A543-T546 WeakPolarHBondContact CA-OG1 3.45Å; A543-T546 PolarHBondContact O-N 3.24Å; A543-T546 PolarHBondContact O-OG1 3.35Å
547L57.4Low69.3Low148 Ų148119.3 Ų119.378%0.77562%0.624SS**THydrogen-bonded Turntrans-92.5-3.2177.8-76163.4000113.4A543 S544 S545A543-L547 WeakPolarHBondContact O-CD1 3.32Å; A543-L547 WeakPolarHBondContact O-CG 3.27Å; A543-L547 PolarHBondContact O-N 2.91Å; S544-L547 PolarHBondContact O-N 2.97Å; S545-L547 VanDerWaalsContact C-N 3.3Å
548T54.1Low67.9Low116 Ų116118.1 Ų118.171%0.71263%0.627SS**  trans-112.915.2-178.837.70000114.6S544 S545S544-T548 PolarHBondContact O-OG1 3.23Å; S545-T548 PolarHBondContact O-OG1 2.87Å
549N41.7Very low66.5Low216 Ų216118.5 Ų118.5100%1.15563%0.63SS**  trans-1140171.1-86.1-17.6000111.5

Retrieved 549 of 549 residues in 165.8 ms (Link to these results)

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