A0A061AIZ0_CAEEL Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A061AIZ0, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 289 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
1M62.3Low73.2Confident234 Ų234112 Ų112100%1.15362%0.617SS**  0105.80-72.3-174.8170.200108T3M1-T3 PolarHBondContact O-N 2.98Å
2V67.4Low72.7Confident110 Ų110113.3 Ų113.367%0.66762%0.621SS**  trans-73.3115.3173.1-178.10000106.3V6 I7V2-V6 HydrophobicContact CG1-CB 4.18Å; V2-V6 HydrophobicContact CG1-CG1 4.2Å; V2-I7 HydrophobicContact CG1-CD1 4.09Å; V2-I7 HydrophobicContact CG1-CG1 3.84Å
3T79.6Confident72.1Confident83 Ų83113.8 Ų113.851%0.50962%0.621SS.*  trans-69.1143.5-175.856.50000109.7M1 S5 V6M1-T3 PolarHBondContact O-N 2.98Å; T3-S5 PolarHBondContact O-N 3.14Å; T3-V6 PolarHBondContact O-N 3.18Å; T3-V6 WeakPolarHBondContact OG1-CG2 3.31Å
4L75.8Confident71.4Confident145 Ų145114.2 Ų114.276%0.75962%0.622SS**Hα-helixtrans-53.5-30.7-178.4-157.375.3000112V6 I7 L8L4-V6 PolarHBondContact O-N 3.45Å; L4-I7 PolarHBondContact O-N 3.04Å; L4-L8 WeakPolarHBondContact O-CB 3.5Å; L4-L8 PolarHBondContact O-N 2.96Å
5S74.3Confident70.8Confident83 Ų83113.1 Ų113.158%0.5862%0.62SS**Hα-helixtrans-61.5-37174.6-179.70000113.7T3 T9T3-S5 PolarHBondContact O-N 3.14Å; S5-T9 WeakPolarHBondContact O-CB 3.46Å; S5-T9 WeakPolarHBondContact O-CG2 3.46Å; S5-T9 PolarHBondContact O-N 3.22Å; S5-T9 VanDerWaalsContact O-N 3.07Å; S5-T9 PolarHBondContact O-OG1 3.25Å
6V76.8Confident70.1Confident59 Ų59108.6 Ų108.636%0.35861%0.607SS.*Hα-helixtrans-74.6-32.3179.4175.70000111.7V2 T3 L4 T9 K10V2-V6 HydrophobicContact CG1-CB 4.18Å; V2-V6 HydrophobicContact CG1-CG1 4.2Å; T3-V6 PolarHBondContact O-N 3.18Å; T3-V6 WeakPolarHBondContact OG1-CG2 3.31Å; L4-V6 PolarHBondContact O-N 3.45Å; V6-T9 WeakPolarHBondContact CA-OG1 3.49Å; V6-T9 PolarHBondContact O-OG1 2.93Å; V6-K10 HydrophobicContact CG1-CD 4.45Å; V6-K10 WeakPolarHBondContact O-CB 3.03Å; V6-K10 WeakPolarHBondContact O-CG 3.46Å; V6-K10 PolarHBondContact O-N 3.12Å
7I76.9Confident69.4Low97 Ų97106.5 Ų106.550%0.49759%0.594SS.*Hα-helixtrans-73.3-42.5175.6-64.2166.7000109.9V2 L4 T9 K10 S11V2-I7 HydrophobicContact CG1-CD1 4.09Å; V2-I7 HydrophobicContact CG1-CG1 3.84Å; L4-I7 PolarHBondContact O-N 3.04Å; I7-T9 PolarHBondContact O-N 3.36Å; I7-K10 PolarHBondContact O-N 3.24Å; I7-S11 WeakPolarHBondContact O-CB 3.43Å; I7-S11 PolarHBondContact O-N 2.95Å
8L74.6Confident68.7Low117 Ų117105.8 Ų105.861%0.61359%0.588SS**Hα-helixtrans-66-40.5-179.1-147.577000112.1L4 S11 L12L4-L8 WeakPolarHBondContact O-CB 3.5Å; L4-L8 PolarHBondContact O-N 2.96Å; L8-S11 PolarHBondContact O-N 3.08Å; L8-L12 PolarHBondContact O-N 2.86Å
9T72Confident68.1Low84 Ų84109.2 Ų109.252%0.51560%0.596SS.*Hα-helixtrans-68.5-40.7177.141.30000112.6S5 V6 I7 S11 L12 L13S5-T9 WeakPolarHBondContact O-CB 3.46Å; S5-T9 WeakPolarHBondContact O-CG2 3.46Å; S5-T9 PolarHBondContact O-N 3.22Å; S5-T9 VanDerWaalsContact O-N 3.07Å; S5-T9 PolarHBondContact O-OG1 3.25Å; V6-T9 WeakPolarHBondContact CA-OG1 3.49Å; V6-T9 PolarHBondContact O-OG1 2.93Å; I7-T9 PolarHBondContact O-N 3.36Å; T9-S11 VanDerWaalsContact C-N 3.35Å; T9-L12 PolarHBondContact O-N 3.1Å; T9-L13 WeakPolarHBondContact O-CB 3.32Å; T9-L13 PolarHBondContact O-N 2.9Å
10K74.6Confident67.7Low153 Ų153108.8 Ų108.867%0.66559%0.59SS**Hα-helixtrans-66.9-35.7174.6-76.1-176.6174.3-171.50112.6V6 I7 L14V6-K10 HydrophobicContact CG1-CD 4.45Å; V6-K10 WeakPolarHBondContact O-CB 3.03Å; V6-K10 WeakPolarHBondContact O-CG 3.46Å; V6-K10 PolarHBondContact O-N 3.12Å; I7-K10 PolarHBondContact O-N 3.24Å; K10-L14 WeakPolarHBondContact O-CB 3.36Å; K10-L14 PolarHBondContact O-N 3.34Å
11S71Confident67.3Low67 Ų67108.7 Ų108.747%0.46960%0.595SS.*Hα-helixtrans-69.5-42.1176.9-151.20000111.9I7 L8 T9 L13 L14 V15I7-S11 WeakPolarHBondContact O-CB 3.43Å; I7-S11 PolarHBondContact O-N 2.95Å; L8-S11 PolarHBondContact O-N 3.08Å; T9-S11 VanDerWaalsContact C-N 3.35Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.1Å; S11-L14 PolarHBondContact O-N 2.93Å; S11-V15 WeakPolarHBondContact O-CG2 3.45Å; S11-V15 PolarHBondContact O-N 3.36Å; S11-V15 VanDerWaalsContact O-N 3.09Å
12L67.2Low67.7Low127 Ų127101 Ų10167%0.66556%0.563SS**Hα-helixtrans-64.3-37.7174.2-10971.2000112.6L8 T9 V15 G16L8-L12 PolarHBondContact O-N 2.86Å; T9-L12 PolarHBondContact O-N 3.1Å; L12-V15 PolarHBondContact O-N 2.66Å; L12-G16 PolarHBondContact O-N 3.26Å
13L64.5Low67.8Low120 Ų120101.3 Ų101.363%0.62855%0.553SS**Hα-helixtrans-69.8-35.5178.3-161.4129.9000111.7T9 S11 G16 I17T9-L13 WeakPolarHBondContact O-CB 3.32Å; T9-L13 PolarHBondContact O-N 2.9Å; S11-L13 VanDerWaalsContact C-N 3.34Å; S11-L13 PolarHBondContact O-N 3.1Å; L13-G16 PolarHBondContact O-N 3.02Å; L13-I17 HydrophobicContact CD2-CD1 3.7Å; L13-I17 HydrophobicContact CG-CD1 4.47Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.37Å; L13-I17 PolarHBondContact O-N 3.11Å; L13-I17 VanDerWaalsContact O-N 3.13Å
14L62.9Low67.6Low120 Ų120100 Ų10063%0.62854%0.542SS*.Hα-helixtrans-67-39.2174.3-15885.4000112.2K10 S11 L18K10-L14 WeakPolarHBondContact O-CB 3.36Å; K10-L14 PolarHBondContact O-N 3.34Å; S11-L14 PolarHBondContact O-N 2.93Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å
15V62Low67.5Low97 Ų97101 Ų10159%0.58854%0.537SS*.Hα-helixtrans-72.7-34.3176.7176.90000111.5S11 L12 L18S11-V15 WeakPolarHBondContact O-CG2 3.45Å; S11-V15 PolarHBondContact O-N 3.36Å; S11-V15 VanDerWaalsContact O-N 3.09Å; L12-V15 PolarHBondContact O-N 2.66Å; V15-L18 PolarHBondContact O-N 3.03Å
16G59.7Low67.6Low41 Ų41101.5 Ų101.542%0.42353%0.532SS..Hα-helixtrans-65.6-39.8175.400000113.7L12 L13 L18 F19L12-G16 PolarHBondContact O-N 3.26Å; L13-G16 PolarHBondContact O-N 3.02Å; G16-L18 VanDerWaalsContact C-N 3.28Å; G16-L18 PolarHBondContact O-N 3.33Å; G16-F19 PolarHBondContact O-N 3.14Å; G16-F19 VanDerWaalsContact O-N 3.08Å
17I59.1Low67.6Low73 Ų73102.8 Ų102.837%0.37454%0.536SS..Hα-helixtrans-66-31.2178.2-68.3164.1000111.8L13 F19 E20 Y23L13-I17 HydrophobicContact CD2-CD1 3.7Å; L13-I17 HydrophobicContact CG-CD1 4.47Å; L13-I17 WeakPolarHBondContact O-CD1 3.42Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.37Å; L13-I17 PolarHBondContact O-N 3.11Å; L13-I17 VanDerWaalsContact O-N 3.13Å; I17-F19 PolarHBondContact O-N 3.19Å; I17-E20 PolarHBondContact O-N 3.22Å; I17-Y23 HydrophobicContact CG2-CE2 4.37Å
18L56.3Low67.6Low94 Ų94103 Ų10349%0.49254%0.537SS..THydrogen-bonded Turntrans-71-12.8175.9-68.6171000113.2L14 V15 G16L14-L18 WeakPolarHBondContact O-CG 3.35Å; V15-L18 PolarHBondContact O-N 3.03Å; G16-L18 VanDerWaalsContact C-N 3.28Å; G16-L18 PolarHBondContact O-N 3.33Å
19F57.8Low67.8Low170 Ų170101.5 Ų101.575%0.74653%0.529SS*.THydrogen-bonded Turntrans-111.125.1-179.4-142.4-98.2000112.6G16 I17 I24G16-F19 PolarHBondContact O-N 3.14Å; G16-F19 VanDerWaalsContact O-N 3.08Å; I17-F19 PolarHBondContact O-N 3.19Å; F19-I24 HydrophobicContact CD1-CD1 4.12Å; F19-I24 HydrophobicContact CD2-CD1 4.04Å; F19-I24 HydrophobicContact CE1-CD1 4.31Å; F19-I24 HydrophobicContact CE2-CD1 4.23Å; F19-I24 HydrophobicContact CG-CD1 3.99Å; F19-I24 HydrophobicContact CZ-CD1 4.37Å
20E59.5Low68Low102 Ų102103.6 Ų103.648%0.47753%0.533SS..SBendtrans-89.4145.8166.1-71.5-171.7170.900110.5I17 P22 Y23 I24I17-E20 PolarHBondContact O-N 3.22Å; E20-P22 WeakPolarHBondContact O-CD 3.42Å; E20-P22 VanDerWaalsContact O-N 3.12Å; E20-Y23 HydrophobicContact CB-CD2 4.39Å; E20-Y23 PolarHBondContact O-N 3.3Å; E20-I24 PolarHBondContact O-N 2.88Å
21P59.9Low68Low107 Ų107102 Ų10270%0.69553%0.531SS*.Hα-helixtrans-52.3-35.7-171.216.7-27.8000116.2
22P70.6Confident68.1Low73 Ų73101.3 Ų101.347%0.47453%0.526SS..Hα-helixtrans-71.1-31.4179.327.7-35000113.3E20 I26E20-P22 WeakPolarHBondContact O-CD 3.42Å; E20-P22 VanDerWaalsContact O-N 3.12Å; P22-I26 WeakPolarHBondContact O-CG1 3.45Å; P22-I26 PolarHBondContact O-N 3.28Å
23Y69.1Low68.3Low116 Ų11698.6 Ų98.646%0.45552%0.515SS..Hα-helixtrans-82.7-34.9-175.2-68.4-74.9000112.8I17 E20 Y25 I26 I27I17-Y23 HydrophobicContact CG2-CE2 4.37Å; E20-Y23 HydrophobicContact CB-CD2 4.39Å; E20-Y23 PolarHBondContact O-N 3.3Å; Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.29Å; Y23-I26 HydrophobicContact CD1-CD1 4.44Å; Y23-I26 PolarHBondContact O-N 2.96Å; Y23-I27 WeakPolarHBondContact O-CG1 3.36Å; Y23-I27 PolarHBondContact O-N 3.23Å
24I74.3Confident68.3Low54 Ų5499.5 Ų99.528%0.27751%0.514SS..Hα-helixtrans-58.9-41.5172.9-63172.8000110.2F19 E20 I26 I27 I28F19-I24 HydrophobicContact CD1-CD1 4.12Å; F19-I24 HydrophobicContact CD2-CD1 4.04Å; F19-I24 HydrophobicContact CE1-CD1 4.31Å; F19-I24 HydrophobicContact CE2-CD1 4.23Å; F19-I24 HydrophobicContact CG-CD1 3.99Å; F19-I24 HydrophobicContact CZ-CD1 4.37Å; E20-I24 PolarHBondContact O-N 2.88Å; I24-I26 PolarHBondContact O-N 2.87Å; I24-I27 PolarHBondContact O-N 3.44Å; I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 HydrophobicContact CG2-CG1 4.44Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.38Å; I24-I28 PolarHBondContact O-N 2.92Å
25Y74.4Confident68.1Low167 Ų167100 Ų10066%0.65552%0.516SS*.Hα-helixtrans-62.9-41.3178.3-126.5-88.5000112.3Y23 I28 I29Y23-Y25 VanDerWaalsContact C-N 3.26Å; Y23-Y25 PolarHBondContact O-N 3.29Å; Y25-I28 PolarHBondContact O-N 3.38Å; Y25-I29 HydrophobicContact CD1-CD1 4.02Å; Y25-I29 VanDerWaalsContact O-CG1 3.3Å; Y25-I29 WeakPolarHBondContact O-CG1 3.4Å; Y25-I29 PolarHBondContact O-N 2.96Å
26I76.6Confident67.7Low93 Ų93103.8 Ų103.848%0.47753%0.525SS..Hα-helixtrans-64.1-42.9176.7-65.1167.2000110.5P22 Y23 I24 I29 Q30P22-I26 WeakPolarHBondContact O-CG1 3.45Å; P22-I26 PolarHBondContact O-N 3.28Å; Y23-I26 HydrophobicContact CD1-CD1 4.44Å; Y23-I26 PolarHBondContact O-N 2.96Å; I24-I26 PolarHBondContact O-N 2.87Å; I26-I29 PolarHBondContact O-N 2.82Å; I26-Q30 HydrophobicContact CG2-CG 4.45Å; I26-Q30 VanDerWaalsContact O-CG 3.26Å; I26-Q30 WeakPolarHBondContact O-CG 3.16Å; I26-Q30 PolarHBondContact O-N 3.23Å
27I77.2Confident67.7Low86 Ų86108.2 Ų108.244%0.44154%0.538SS..Hα-helixtrans-64.4-41.6178.5-65.8167.2000111.2Y23 I24 Q30 L31Y23-I27 WeakPolarHBondContact O-CG1 3.36Å; Y23-I27 PolarHBondContact O-N 3.23Å; I24-I27 PolarHBondContact O-N 3.44Å; I27-Q30 PolarHBondContact O-N 2.75Å; I27-L31 WeakPolarHBondContact O-CB 3.12Å; I27-L31 PolarHBondContact O-N 3.23Å
28I77.3Confident67.4Low103 Ų103111.9 Ų111.953%0.52855%0.554SS.*Hα-helixtrans-65-41.5177.4-67.4167.8000111.4I24 Y25 L31 S32I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 HydrophobicContact CG2-CG1 4.44Å; I24-I28 VanDerWaalsContact O-CG1 3.31Å; I24-I28 WeakPolarHBondContact O-CG1 3.38Å; I24-I28 PolarHBondContact O-N 2.92Å; Y25-I28 PolarHBondContact O-N 3.38Å; I28-L31 PolarHBondContact O-N 3.09Å; I28-S32 WeakPolarHBondContact O-CB 2.88Å; I28-S32 PolarHBondContact O-N 3.12Å; I28-S32 PolarHBondContact O-OG 3.27Å
29I78.7Confident66.8Low85 Ų85113.4 Ų113.444%0.43657%0.571SS.*Hα-helixtrans-63-45.2176.1-69.2167.4000110.3Y25 I26 L31 S32 T33Y25-I29 HydrophobicContact CD1-CD1 4.02Å; Y25-I29 VanDerWaalsContact O-CG1 3.3Å; Y25-I29 WeakPolarHBondContact O-CG1 3.4Å; Y25-I29 PolarHBondContact O-N 2.96Å; I26-I29 PolarHBondContact O-N 2.82Å; I29-L31 PolarHBondContact O-N 3.37Å; I29-S32 PolarHBondContact O-N 3.31Å; I29-S32 PolarHBondContact O-OG 2.92Å; I29-T33 WeakPolarHBondContact O-CG2 3.46Å; I29-T33 PolarHBondContact O-N 3.34Å; I29-T33 PolarHBondContact O-OG1 3.15Å; I29-T33 VanDerWaalsContact O-OG1 3.14Å
30Q75.8Confident66.2Low128 Ų128108.6 Ų108.660%0.59857%0.569SS**Hα-helixtrans-63.4-41.7177.4-67.4-66.8-25.600111.9I26 I27 T33 F34I26-Q30 HydrophobicContact CG2-CG 4.45Å; I26-Q30 VanDerWaalsContact O-CG 3.26Å; I26-Q30 WeakPolarHBondContact O-CG 3.16Å; I26-Q30 PolarHBondContact O-N 3.23Å; I27-Q30 PolarHBondContact O-N 2.75Å; Q30-T33 PolarHBondContact O-OG1 3.39Å; Q30-F34 PolarHBondContact O-N 2.94Å
31L75.2Confident65.2Low119 Ų119109.1 Ų109.162%0.62358%0.584SS**Hα-helixtrans-66.3-40.4177.2-130.592.3000112.6I27 I28 I29 F34 L35I27-L31 WeakPolarHBondContact O-CB 3.12Å; I27-L31 PolarHBondContact O-N 3.23Å; I28-L31 PolarHBondContact O-N 3.09Å; I29-L31 PolarHBondContact O-N 3.37Å; L31-F34 PolarHBondContact O-N 3.11Å; L31-L35 PolarHBondContact O-N 3.37Å; L31-L35 VanDerWaalsContact O-N 3.16Å
32S72.4Confident64.3Low52 Ų52113.8 Ų113.836%0.36459%0.593SS.*Hα-helixtrans-66.8-43.318067.30000111.8I28 I29 F34 L35 F36I28-S32 WeakPolarHBondContact O-CB 2.88Å; I28-S32 PolarHBondContact O-N 3.12Å; I28-S32 PolarHBondContact O-OG 3.27Å; I29-S32 PolarHBondContact O-N 3.31Å; I29-S32 PolarHBondContact O-OG 2.92Å; S32-F34 VanDerWaalsContact C-N 3.28Å; S32-F34 PolarHBondContact O-N 2.91Å; S32-L35 PolarHBondContact O-N 3.33Å; S32-F36 WeakPolarHBondContact O-CD2 3.21Å; S32-F36 PolarHBondContact O-N 2.93Å
33T70.6Confident62.6Low70 Ų70120.6 Ų120.643%0.42962%0.615SS.*Hα-helixtrans-63.8-33.1176.356.10000112.6I29 Q30I29-T33 WeakPolarHBondContact O-CG2 3.46Å; I29-T33 PolarHBondContact O-N 3.34Å; I29-T33 PolarHBondContact O-OG1 3.15Å; I29-T33 VanDerWaalsContact O-OG1 3.14Å; Q30-T33 PolarHBondContact O-OG1 3.39Å
34F64.4Low60.8Low140 Ų140124.8 Ų124.861%0.61464%0.636SS**Hα-helixtrans-69-36.6175.4-156.2-99.6000112.6Q30 L31 S32 F36 I37Q30-F34 PolarHBondContact O-N 2.94Å; L31-F34 PolarHBondContact O-N 3.11Å; S32-F34 VanDerWaalsContact C-N 3.28Å; S32-F34 PolarHBondContact O-N 2.91Å; F34-F36 VanDerWaalsContact C-N 3.35Å; F34-F36 PolarHBondContact O-N 2.94Å; F34-I37 PolarHBondContact O-N 3.47Å
35L58.8Low58.8Low130 Ų130131.5 Ų131.568%0.68166%0.663SS**Hα-helixtrans-70-28.4179.5-134.573.8000113.3L31 S32 I37L31-L35 PolarHBondContact O-N 3.37Å; L31-L35 VanDerWaalsContact O-N 3.16Å; S32-L35 PolarHBondContact O-N 3.33Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 PolarHBondContact O-N 3.13Å
36F54.7Low56.7Low176 Ų176132.9 Ų132.977%0.77268%0.675SS**THydrogen-bonded Turntrans-73.7-15.9177.4-80.5-72.4000114.1S32 F34S32-F36 WeakPolarHBondContact O-CD2 3.21Å; S32-F36 PolarHBondContact O-N 2.93Å; F34-F36 VanDerWaalsContact C-N 3.35Å; F34-F36 PolarHBondContact O-N 2.94Å
37I59Low54.5Low135 Ų135137.2 Ų137.269%0.69269%0.691SS**THydrogen-bonded Turntrans-84.4-21.4-177.4-63.8168.3000112.2F34 L35F34-I37 PolarHBondContact O-N 3.47Å; L35-I37 VanDerWaalsContact C-N 3.29Å; L35-I37 PolarHBondContact O-N 3.13Å
38Q52.2Low52.3Low150 Ų150138.5 Ų138.570%0.70171%0.708SS**THydrogen-bonded Turntrans-95.4-2.3-174.4-82.1-173.7-11.900117
39C43.4Very low50.1Low126 Ų126141.6 Ų141.685%0.85172%0.72SS**THydrogen-bonded Turntrans-106.618.1177.3-90.10000114.8
40G45.8Very low47.7Very low68 Ų68143.4 Ų143.470%0.70174%0.74SS**  trans-97.711.5-171.400000118.2K42G40-K42 PolarHBondContact O-N 3.09Å
41S39.8Very low45.8Very low113 Ų113146.6 Ų146.679%0.7976%0.755SS**  trans-95.594.9-179.744.10000112.5K43S41-K43 PolarHBondContact O-N 3.28Å
42K40.1Very low43.7Very low206 Ų206148.4 Ų148.490%0.89677%0.765SS**PPolyproline II helixtrans-46.9118.4165.5-82.4166.7172.81640111.6G40 K44G40-K42 PolarHBondContact O-N 3.09Å; K42-K44 PolarHBondContact O-N 3.22Å
43K34.4Very low42.2Very low215 Ų215154.2 Ų154.294%0.93579%0.787SS**PPolyproline II helixtrans-59.7123.2166-85.4-179.3174.1179.20110.4S41S41-K43 PolarHBondContact O-N 3.28Å
44K32.8Very low40.6Very low205 Ų205157.8 Ų157.889%0.89181%0.808SS**PPolyproline II helixtrans-88.7118.5173.5-157.5178.4-176-177.70108.4K42K42-K44 PolarHBondContact O-N 3.22Å
45K32Very low39.5Very low195 Ų195159.2 Ų159.285%0.84882%0.817SS**  trans-13.3115.4161.8-154.9175.8-172.3-178.30116
46E30.1Very low38.6Very low196 Ų196159.4 Ų159.492%0.91682%0.819SS**  trans-77.2136.3153-87.2177.5157.100109.3
47K30Very low38.2Very low183 Ų183160 Ų16080%0.79682%0.824SS**  trans-117.8112.5169.4179.7-170.5177.6-160.50105
48S30.1Very low37.8Very low114 Ų114159.5 Ų159.580%0.79782%0.823SS**  trans-107.2131.5163.6510000108.6
49E32.4Very low38Very low168 Ų168155.5 Ų155.579%0.78581%0.811SS**  trans-72.5145.2169.1-84.6158.4169.600110.6
50S27.2Very low38.6Very low122 Ų122155.9 Ų155.985%0.85380%0.8SS**  trans-161.4130.7135.132.30000108.6
51E36Very low39.1Very low195 Ų195157.4 Ų157.491%0.91179%0.792SS**  trans-74.4138.2170.8-61.6166.4164.800108.7
52D32.4Very low39.9Very low158 Ų158158.8 Ų158.885%0.84579%0.787SS**  trans-160.4133.1139.7-148.2-10.4000109.5
53E40.3Very low40.9Very low174 Ų174157.6 Ų157.681%0.81378%0.776SS**  trans-90.3135.5-179-65.9-179.7159.800109
54T35.7Very low42.1Very low144 Ų144154.5 Ų154.588%0.88376%0.759SS**  trans-171.5127.8144.516.80000110.6
55E42.6Very low43.5Very low171 Ų171153.4 Ų153.480%0.79975%0.749SS**  trans-67.2147.5176.2-49.6174.2142.500108.7
56D40.1Very low44.8Very low134 Ų134152.3 Ų152.372%0.71774%0.744SS**  177.5143.675.3-86.2-48.2000112.5D58D56-D58 PolarHBondContact O-N 3.21Å
57E46Very low46.2Very low187 Ų187150.3 Ų150.387%0.87473%0.732SS**SBendtrans61.126.8141.6-58.1-151167.600125.4
58D51.3Low47.5Very low126 Ų126150.6 Ų150.667%0.67473%0.729SS**  trans-12511.4167.3-144.6-1.2000115.3D56D56-D58 PolarHBondContact O-N 3.21Å
59S55.1Low48.9Very low66 Ų66148.1 Ų148.146%0.46272%0.715SS.*Hα-helixtrans-92.8-15.6-166.767.20000115.5R63S59-R63 WeakPolarHBondContact O-CB 3.49Å; S59-R63 WeakPolarHBondContact O-CD 3.38Å; S59-R63 WeakPolarHBondContact O-CG 3.32Å; S59-R63 PolarHBondContact O-N 3.17Å
60E56.5Low50.1Low133 Ų133142.9 Ų142.962%0.62170%0.7SS**Hα-helixtrans-83.7-37.9-173.2-151.2-177.4171.800113.2R63 R64E60-R63 PolarHBondContact O-N 3.08Å; E60-R64 WeakPolarHBondContact O-CB 3.27Å; E60-R64 WeakPolarHBondContact O-CG 3.4Å; E60-R64 PolarHBondContact O-N 3.35Å
61N56.5Low51.6Low100 Ų100141.4 Ų141.454%0.53568%0.683SS.*Hα-helixtrans-70.6-38.1179.8-159.31.5000111.6R64 R65N61-R64 PolarHBondContact O-N 3.35Å; N61-R65 WeakPolarHBondContact O-CG 3.43Å; N61-R65 PolarHBondContact O-N 3.11Å
62Q57.1Low52.6Low143 Ų143140.4 Ų140.467%0.66868%0.676SS**Hα-helixtrans-66-40.7171.8-76.4-168.4500112.4R65 K66Q62-R65 PolarHBondContact O-N 2.87Å; Q62-K66 WeakPolarHBondContact O-CB 3.43Å; Q62-K66 PolarHBondContact O-N 3.36Å
63R60Low53.7Low180 Ų180140.5 Ų140.568%0.67967%0.669SS**Hα-helixtrans-63.3-41.1175.6-78.7173.9179-168.81.6111.9S59 E60 K66 K67S59-R63 WeakPolarHBondContact O-CB 3.49Å; S59-R63 WeakPolarHBondContact O-CD 3.38Å; S59-R63 WeakPolarHBondContact O-CG 3.32Å; S59-R63 PolarHBondContact O-N 3.17Å; E60-R63 PolarHBondContact O-N 3.08Å; R63-K66 PolarHBondContact O-N 2.97Å; R63-K67 WeakPolarHBondContact O-CB 3.32Å; R63-K67 PolarHBondContact O-N 2.95Å
64R60.6Low54.4Low151 Ų151140.7 Ų140.757%0.5766%0.662SS**Hα-helixtrans-65.9-39.5176-76177.7156.2-149.7-6.4112.8E60 N61 R68E60-R64 WeakPolarHBondContact O-CB 3.27Å; E60-R64 WeakPolarHBondContact O-CG 3.4Å; E60-R64 PolarHBondContact O-N 3.35Å; N61-R64 PolarHBondContact O-N 3.35Å; R64-R68 WeakPolarHBondContact O-CG 3.38Å; R64-R68 PolarHBondContact O-N 2.82Å; R64-R68 VanDerWaalsContact O-N 3.08Å
65R60.6Low55Low181 Ų181142.3 Ų142.368%0.68366%0.657SS**Hα-helixtrans-66.6-42.2174.7-74178174.3-165.6-2.4112.4N61 Q62 R68 A69N61-R65 WeakPolarHBondContact O-CG 3.43Å; N61-R65 PolarHBondContact O-N 3.11Å; Q62-R65 PolarHBondContact O-N 2.87Å; R65-R68 PolarHBondContact O-N 2.75Å; R65-A69 WeakPolarHBondContact O-CB 3.34Å; R65-A69 PolarHBondContact O-N 3.03Å
66K59.6Low55.3Low173 Ų173142.8 Ų142.875%0.75266%0.656SS**Hα-helixtrans-65.8-37.9176-121.2170.7-178.6172.40112.4Q62 R63 A69 A70Q62-K66 WeakPolarHBondContact O-CB 3.43Å; Q62-K66 PolarHBondContact O-N 3.36Å; R63-K66 PolarHBondContact O-N 2.97Å; K66-A69 PolarHBondContact O-N 3Å; K66-A70 WeakPolarHBondContact O-CB 3.38Å; K66-A70 PolarHBondContact O-N 2.88Å
67K59.6Low55.8Low153 Ų153142.3 Ų142.367%0.66565%0.652SS**Hα-helixtrans-68.1-41.8177-161.8172.4-176.9178.20112.2R63 A69 A70 D71R63-K67 WeakPolarHBondContact O-CB 3.32Å; R63-K67 PolarHBondContact O-N 2.95Å; K67-A69 PolarHBondContact O-N 3.02Å; K67-A70 PolarHBondContact O-N 3.32Å; K67-D71 PolarHBondContact O-N 3.29Å
68R58.8Low55.8Low189 Ų189142.2 Ų142.271%0.71365%0.649SS**Hα-helixtrans-66.6-33.1174.5-70.9177.5179.9-173.40.5113R64 R65 K72R64-R68 WeakPolarHBondContact O-CG 3.38Å; R64-R68 PolarHBondContact O-N 2.82Å; R64-R68 VanDerWaalsContact O-N 3.08Å; R65-R68 PolarHBondContact O-N 2.75Å; R68-K72 PolarHBondContact O-N 3.31Å
69A58.7Low55.6Low63 Ų63140.5 Ų140.552%0.52165%0.653SS.*Hα-helixtrans-71.4-36.8173.600000112.7R65 K66 K67 K73R65-A69 WeakPolarHBondContact O-CB 3.34Å; R65-A69 PolarHBondContact O-N 3.03Å; K66-A69 PolarHBondContact O-N 3Å; K67-A69 PolarHBondContact O-N 3.02Å; A69-K73 PolarHBondContact O-N 3.13Å
70A57.8Low55.4Low57 Ų57141 Ų14147%0.47166%0.661SS.*Hα-helixtrans-68.2-40.5175.700000112.4K66 K67 K73 R74K66-A70 WeakPolarHBondContact O-CB 3.38Å; K66-A70 PolarHBondContact O-N 2.88Å; K67-A70 PolarHBondContact O-N 3.32Å; A70-K73 PolarHBondContact O-N 2.92Å; A70-R74 PolarHBondContact O-N 3.31Å
71D57.5Low54.9Low91 Ų91144.8 Ų144.849%0.48768%0.675SS.*Hα-helixtrans-69.5-33.9177.2-78.8-26.2000112.7K67 K73 R74 K75K67-D71 PolarHBondContact O-N 3.29Å; D71-K73 VanDerWaalsContact C-N 3.31Å; D71-K73 PolarHBondContact O-N 3.27Å; D71-R74 PolarHBondContact O-N 3.24Å; D71-K75 PolarHBondContact O-N 3.32Å
72K58.2Low54.8Low175 Ų175142.3 Ų142.376%0.76167%0.673SS**Hα-helixtrans-66.9-32.3173.5-146.5174.5-172.3179.30112.1R68 K76R68-K72 PolarHBondContact O-N 3.31Å; K72-K76 PolarHBondContact O-N 2.96Å
73K55.8Low54.3Low160 Ų160141.4 Ų141.470%0.69668%0.68SS**Hα-helixtrans-74.8-37.2174.3-134.5175.9-175.1-179.40111.9A69 A70 D71 K76 I77A69-K73 PolarHBondContact O-N 3.13Å; A70-K73 PolarHBondContact O-N 2.92Å; D71-K73 VanDerWaalsContact C-N 3.31Å; D71-K73 PolarHBondContact O-N 3.27Å; K73-K76 PolarHBondContact O-N 3.17Å; K73-I77 WeakPolarHBondContact O-CG1 3.43Å; K73-I77 PolarHBondContact O-N 3.25Å
74R54.6Low54Low178 Ų178139.2 Ų139.267%0.67269%0.686SS**Hα-helixtrans-70.1-33.9175.7-116.2176.2167.8-161.4-3.5113.4A70 D71 K76 I77 K78A70-R74 PolarHBondContact O-N 3.31Å; D71-R74 PolarHBondContact O-N 3.24Å; R74-K76 VanDerWaalsContact C-N 3.33Å; R74-I77 PolarHBondContact O-N 3.19Å; R74-K78 PolarHBondContact O-N 3.35Å
75K48.3Very low53.9Low178 Ų178137.4 Ų137.477%0.77469%0.691SS**Hα-helixtrans-71.1-26.5174.9-131.5176.4-175.8179.90112.9D71D71-K75 PolarHBondContact O-N 3.32Å
76K47.8Very low54Low180 Ų180134.1 Ų134.178%0.78369%0.693SS**Hα-helixtrans-79.1-20.8175.4-145176-174-177.50113.6K72 K73 R74K72-K76 PolarHBondContact O-N 2.96Å; K73-K76 PolarHBondContact O-N 3.17Å; R74-K76 VanDerWaalsContact C-N 3.33Å
77I51.9Low54.4Low125 Ų125135 Ų13564%0.64170%0.697SS**Hα-helixtrans-89.9-23.8178.7-64.9167.6000112K73 R74K73-I77 WeakPolarHBondContact O-CG1 3.43Å; K73-I77 PolarHBondContact O-N 3.25Å; R74-I77 PolarHBondContact O-N 3.19Å
78K45.6Very low54.4Low184 Ų184131.6 Ų131.680%0.869%0.69SS**THydrogen-bonded Turntrans-85.41.1178.5-77.3-169.3174.4-1730115.5R74R74-K78 PolarHBondContact O-N 3.35Å
79A47.1Very low54.8Low91 Ų91127.2 Ų127.275%0.75269%0.687SS**THydrogen-bonded Turntrans-106.211.8175.700000113.8
80A50.3Low55.6Low76 Ų76134.2 Ų134.263%0.62871%0.705SS**  trans-124.440-174.600000113.3
81K46.8Very low56Low213 Ų213137.2 Ų137.293%0.92671%0.714SS**  trans-123.963.2164.2-78.2-168.7174.9-172.60109.8
82G53.9Low56.3Low48 Ų48143 Ų14350%0.49573%0.729SS.*SBendtrans-102.816115000000108.2V84G82-V84 PolarHBondContact O-N 3.49Å; G82-V84 VanDerWaalsContact O-N 3.09Å
83P46.3Very low56.7Low124 Ų124139 Ų13981%0.80573%0.728SS**  trans-55.6121176.824.1-30.8000108.3V85P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 3.03Å
84V53.6Low57.3Low133 Ų133134.7 Ų134.781%0.80672%0.722SS**  trans-70.691.6176.2179.90000106.2G82 P86G82-V84 PolarHBondContact O-N 3.49Å; G82-V84 VanDerWaalsContact O-N 3.09Å; V84-P86 WeakPolarHBondContact O-CD 3.38Å
85V60Low58Low114 Ų114134 Ų13469%0.69173%0.73SS**PPolyproline II helixtrans-59.6120.2163.1-177.20000105.8P83 K87P83-V85 VanDerWaalsContact C-N 3.25Å; P83-V85 PolarHBondContact O-N 3.03Å; V85-K87 PolarHBondContact O-N 2.82Å
86P62.7Low58.8Low111 Ų111127.5 Ų127.572%0.72171%0.71SS**PPolyproline II helixtrans-56118.2177.1-21.331.4000108.1V84V84-P86 WeakPolarHBondContact O-CD 3.38Å
87K66Low60Low193 Ų193126.8 Ų126.884%0.83971%0.709SS**PPolyproline II helixtrans-63.9132.4173.7-74.2178.8179.7175.30107.5V85V85-K87 PolarHBondContact O-N 2.82Å
88P61.2Low60.9Low80 Ų80126 Ų12652%0.51971%0.71SS.*PPolyproline II helixtrans-52.9140.3173.9-23.431.4000109.9K90P88-K90 PolarHBondContact O-N 3.15Å
89P67.3Low62.3Low97 Ų97126.5 Ų126.563%0.6371%0.709SS**PPolyproline II helixtrans-55.3136.7176.322-30.9000109.2N91 R92P89-N91 PolarHBondContact O-N 3.05Å; P89-R92 WeakPolarHBondContact O-CG 3.42Å
90K74.4Confident63.9Low210 Ų210124.6 Ų124.691%0.91369%0.686SS**SBendtrans-56.9-25.3-175.6-71.7177.8178.9177.10112.6P88P88-K90 PolarHBondContact O-N 3.15Å
91N66.8Low65.3Low121 Ų121125.8 Ų125.865%0.64769%0.687SS**  trans-112.580.5178.2-59.5-14.3000109.3P89 A93 A94P89-N91 PolarHBondContact O-N 3.05Å; N91-A93 PolarHBondContact O-N 3.26Å; N91-A94 HydrophobicContact CB-CB 3.73Å; N91-A94 PolarHBondContact O-N 3.2Å
92R62.8Low66.7Low213 Ų213121.7 Ų121.780%0.80468%0.675SS**THydrogen-bonded Turntrans-68-11.6176.2-57.3-176.283.2-179.15.6113.3P89P89-R92 WeakPolarHBondContact O-CG 3.42Å
93A66.8Low67.7Low91 Ų91124.6 Ų124.675%0.75267%0.672SS**THydrogen-bonded Turntrans-111.25.3179.400000113.2N91 I95N91-A93 PolarHBondContact O-N 3.26Å; A93-I95 PolarHBondContact O-N 3.14Å; A93-I95 VanDerWaalsContact O-N 3.08Å
94A68.8Low69.1Low69 Ų69125.1 Ų125.157%0.5766%0.664SS**  trans-67.7111.717200000108N91 A96N91-A94 HydrophobicContact CB-CB 3.73Å; N91-A94 PolarHBondContact O-N 3.2Å; A94-A96 PolarHBondContact O-N 2.88Å
95I68.9Low70Confident162 Ų162124.9 Ų124.983%0.83166%0.663SS**PPolyproline II helixtrans-65.7128.7171.3-58.3171.4000106.2A93A93-I95 PolarHBondContact O-N 3.14Å; A93-I95 VanDerWaalsContact O-N 3.08Å
96A65.7Low70.4Confident43 Ų43124.1 Ų124.136%0.35565%0.654SS.*PPolyproline II helixtrans-59.5141.1174.400000109.3A94 D100 Y103A94-A96 PolarHBondContact O-N 2.88Å; A96-D100 HydrophobicContact CB-CB 4.36Å; A96-Y103 HydrophobicContact CB-CD2 3.53Å; A96-Y103 HydrophobicContact CB-CE2 3.74Å; A96-Y103 HydrophobicContact CB-CG 4.29Å
97E73.4Confident70.4Confident164 Ų164121.3 Ų121.377%0.76664%0.641SS**PPolyproline II helixtrans-62.6148.8177.5-65.3177.9-169.300110Y99 D100E97-Y99 PolarHBondContact O-N 2.94Å; E97-D100 PolarHBondContact O-N 3.27Å
98T70.1Confident70.5Confident108 Ų108115.5 Ų115.566%0.66364%0.635SS**THydrogen-bonded Turntrans-52.3-23.6-178-50.40000113.6
99Y74.9Confident71Confident196 Ų196116.4 Ų116.477%0.76964%0.635SS**THydrogen-bonded Turntrans-121.331.3-178.7-57-71.8000113.4E97 P101E97-Y99 PolarHBondContact O-N 2.94Å; Y99-P101 WeakPolarHBondContact O-CD 3.43Å
100D80.6Confident71.1Confident50 Ų50116.2 Ų116.227%0.26763%0.629SS.*  trans-63.1122.2173.1-172-32.4000110.4A96 E97 N102 Y103 Q104A96-D100 HydrophobicContact CB-CB 4.36Å; E97-D100 PolarHBondContact O-N 3.27Å; D100-N102 PolarHBondContact O-N 3.1Å; D100-N102 VanDerWaalsContact O-N 3.08Å; D100-N102 VanDerWaalsContact OD1-CB 3.28Å; D100-N102 WeakPolarHBondContact OD1-CB 3.32Å; D100-N102 PolarHBondContact OD1-N 2.95Å; D100-Y103 HydrophobicContact CB-CD2 3.98Å; D100-Y103 CarbonylContact O-C 3.37Å; D100-Y103 PolarHBondContact O-N 3.43Å; D100-Q104 PolarHBondContact O-N 3Å
101P80.1Confident70.8Confident102 Ų102111.6 Ų111.666%0.66261%0.614SS**G310 helixtrans-52.2-30.7176.8-27.135.4000114.3Y99 Y103Y99-P101 WeakPolarHBondContact O-CD 3.43Å; P101-Y103 VanDerWaalsContact C-N 3.33Å
102N75.9Confident70.9Confident126 Ų126111.2 Ų111.267%0.67461%0.612SS**G310 helixtrans-80.6-12.2-179.2-166.540.3000113.4D100D100-N102 PolarHBondContact O-N 3.1Å; D100-N102 VanDerWaalsContact O-N 3.08Å; D100-N102 VanDerWaalsContact OD1-CB 3.28Å; D100-N102 WeakPolarHBondContact OD1-CB 3.32Å; D100-N102 PolarHBondContact OD1-N 2.95Å
103Y75.8Confident71Confident110 Ų110107.9 Ų107.943%0.43161%0.61SS.*G310 helixtrans-122.820.7178.3-63.1-76.5000112.8A96 D100 P101 T105 L106 A107A96-Y103 HydrophobicContact CB-CD2 3.53Å; A96-Y103 HydrophobicContact CB-CE2 3.74Å; A96-Y103 HydrophobicContact CB-CG 4.29Å; D100-Y103 HydrophobicContact CB-CD2 3.98Å; D100-Y103 CarbonylContact O-C 3.37Å; D100-Y103 PolarHBondContact O-N 3.43Å; P101-Y103 VanDerWaalsContact C-N 3.33Å; Y103-T105 PolarHBondContact O-N 3.39Å; Y103-T105 VanDerWaalsContact O-N 3.12Å; Y103-L106 HydrophobicContact CD1-CD1 3.79Å; Y103-L106 PolarHBondContact O-N 3.38Å; Y103-A107 PolarHBondContact O-N 3.08Å
104Q76.1Confident70.8Confident135 Ų135107.8 Ų107.863%0.63160%0.599SS**THydrogen-bonded Turntrans-56.2-29.6178.4-79.9-179.52.200113.7D100 L106 A107D100-Q104 PolarHBondContact O-N 3Å; Q104-L106 PolarHBondContact O-N 3.12Å; Q104-A107 PolarHBondContact O-N 2.85Å
105T72.1Confident70.7Confident128 Ų128111.8 Ų111.879%0.78560%0.604SS**THydrogen-bonded Turntrans-73.8-13.1176.9600000113.5Y103Y103-T105 PolarHBondContact O-N 3.39Å; Y103-T105 VanDerWaalsContact O-N 3.12Å
106L67.7Low70.3Confident97 Ų97106.1 Ų106.151%0.50859%0.585SS.*THydrogen-bonded Turntrans-102.1-15.1176.5-54.5-177.8000111.9Y103 Q104 G108 L109Y103-L106 HydrophobicContact CD1-CD1 3.79Å; Y103-L106 PolarHBondContact O-N 3.38Å; Q104-L106 PolarHBondContact O-N 3.12Å; L106-G108 PolarHBondContact O-N 3.35Å; L106-L109 HydrophobicContact CD2-CD1 3.7Å; L106-L109 PolarHBondContact O-N 3.31Å
107A63.3Low70.2Confident53 Ų53112.8 Ų112.844%0.43861%0.609SS.*THydrogen-bonded Turntrans-65.4116172.200000109.2Y103 Q104Y103-A107 PolarHBondContact O-N 3.08Å; Q104-A107 PolarHBondContact O-N 2.85Å
108G67.4Low69.3Low70 Ų70111.7 Ų111.772%0.72260%0.604SS**THydrogen-bonded Turntrans100.2-2.3-177.800000115.3L106 N110L106-G108 PolarHBondContact O-N 3.35Å; G108-N110 PolarHBondContact O-N 2.85Å; G108-N110 VanDerWaalsContact O-N 3.11Å
109L72.8Confident68.5Low99 Ų99112.4 Ų112.452%0.51861%0.611SS.*  trans-75.796.5164.4-66.4178.6000108.7L106 N111L106-L109 HydrophobicContact CD2-CD1 3.7Å; L106-L109 PolarHBondContact O-N 3.31Å; L109-N111 PolarHBondContact O-N 2.97Å
110N68.9Low67.5Low93 Ų93107.1 Ų107.150%0.49762%0.615SS.*  trans-71.8115169.6-70.3-31.2000108.3G108 D112 L113 V114G108-N110 PolarHBondContact O-N 2.85Å; G108-N110 VanDerWaalsContact O-N 3.11Å; N110-D112 PolarHBondContact O-N 3.09Å; N110-D112 VanDerWaalsContact O-N 3.11Å; N110-L113 HydrophobicContact CB-CB 4.14Å; N110-L113 HydrophobicContact CB-CD1 3.92Å; N110-L113 HydrophobicContact CB-CG 4.02Å; N110-L113 PolarHBondContact O-N 3.25Å; N110-V114 PolarHBondContact O-N 2.96Å
111N67.1Low66.3Low113 Ų113108 Ų10860%0.60463%0.63SS**Hα-helixtrans-53.4-32176.1-74.9-21.4000111.7L109 V114 F115L109-N111 PolarHBondContact O-N 2.97Å; N111-V114 PolarHBondContact O-N 2.85Å; N111-F115 WeakPolarHBondContact O-CA 3.39Å; N111-F115 WeakPolarHBondContact O-CB 3.36Å; N111-F115 PolarHBondContact O-N 2.97Å
112D69.1Low65.4Low114 Ų114105.7 Ų105.761%0.6162%0.624SS**Hα-helixtrans-74.3-24.2179.6-48.4-30.3000113N110 G116N110-D112 PolarHBondContact O-N 3.09Å; N110-D112 VanDerWaalsContact O-N 3.11Å; D112-G116 WeakPolarHBondContact O-CA 3.13Å; D112-G116 PolarHBondContact O-N 2.97Å
113L65.1Low64.7Low143 Ų143106 Ų10675%0.74963%0.633SS**Hα-helixtrans-83.1-25173.6-72.3173.2000111.8N110N110-L113 HydrophobicContact CB-CB 4.14Å; N110-L113 HydrophobicContact CB-CD1 3.92Å; N110-L113 HydrophobicContact CB-CG 4.02Å; N110-L113 PolarHBondContact O-N 3.25Å
114V63.3Low64.1Low88 Ų88112.3 Ų112.353%0.53366%0.656SS.*Hα-helixtrans-88.9-36.5178.9-179.50000111.4N110 N111N110-V114 PolarHBondContact O-N 2.96Å; N111-V114 PolarHBondContact O-N 2.85Å
115F66.5Low63.3Low154 Ų154110 Ų11068%0.67566%0.66SS**SBendtrans-127.661.3-179.5-53-75.3000109.4N111N111-F115 WeakPolarHBondContact O-CA 3.39Å; N111-F115 WeakPolarHBondContact O-CB 3.36Å; N111-F115 PolarHBondContact O-N 2.97Å
116G61.3Low62.8Low42 Ų42108.5 Ų108.543%0.43365%0.653SS.*  trans-28.7137.8179.100000113.8D112 Q118D112-G116 WeakPolarHBondContact O-CA 3.13Å; D112-G116 PolarHBondContact O-N 2.97Å; G116-Q118 VanDerWaalsContact C-N 3.3Å; G116-Q118 PolarHBondContact O-N 2.91Å
117E62Low62.9Low183 Ų183108.3 Ų108.386%0.85566%0.657SS**  trans-4894.3176.5-77.6-174.9144.300110.3P119E117-P119 VanDerWaalsContact O-CD 3.32Å; E117-P119 WeakPolarHBondContact O-CD 3.46Å
118Q56.2Low62.2Low141 Ų141112.5 Ų112.566%0.65968%0.68SS**  trans-96112.6177.6-83-158.1-36.900107.8G116 G120 A121G116-Q118 VanDerWaalsContact C-N 3.3Å; G116-Q118 PolarHBondContact O-N 2.91Å; Q118-G120 PolarHBondContact O-N 3.36Å; Q118-G120 VanDerWaalsContact O-N 3.09Å; Q118-A121 PolarHBondContact OE1-O 3.4Å
119P51.5Low62Low124 Ų124112.7 Ų112.781%0.80568%0.682SS**  trans-61.3116.515726.4-28.3000106.6E117 A121E117-P119 VanDerWaalsContact O-CD 3.32Å; E117-P119 WeakPolarHBondContact O-CD 3.46Å; P119-A121 PolarHBondContact O-N 2.85Å; P119-A121 VanDerWaalsContact O-N 3.08Å
120G53.9Low61.3Low84 Ų84110.5 Ų110.587%0.86668%0.675SS**SBendtrans-13.996.7-175.500000117.2Q118Q118-G120 PolarHBondContact O-N 3.36Å; Q118-G120 VanDerWaalsContact O-N 3.09Å
121A55.5Low60.8Low69 Ų69113.2 Ų113.257%0.5769%0.69SS**  trans-167.697.2151.500000108.6Q118 P119Q118-A121 PolarHBondContact OE1-O 3.4Å; P119-A121 PolarHBondContact O-N 2.85Å; P119-A121 VanDerWaalsContact O-N 3.08Å
122G62.5Low60.5Low53 Ų53113.1 Ų113.155%0.54670%0.695SS.*PPolyproline II helixtrans-58.7167.6168.700000111.9R124G122-R124 PolarHBondContact O-N 3.5Å; G122-R124 VanDerWaalsContact O-N 3.12Å
123P61.1Low60Low133 Ų133110.7 Ų110.786%0.86470%0.697SS**PPolyproline II helixtrans-53.4122.6-178.718.8-29.3000110.7A125P123-A125 PolarHBondContact O-N 3.03Å
124R63.4Low59.9Low242 Ų242112.9 Ų112.991%0.91371%0.706SS**PPolyproline II helixtrans-67.3125.5-177.6-134172.4170.3-160.9-3.2108.5G122G122-R124 PolarHBondContact O-N 3.5Å; G122-R124 VanDerWaalsContact O-N 3.12Å
125A59.7Low60Low86 Ų86112 Ų11271%0.71170%0.7SS**PPolyproline II helixtrans-55.9140.9175.700000110.1P123P123-A125 PolarHBondContact O-N 3.03Å
126P60.3Low59.9Low97 Ų97107.1 Ų107.163%0.6369%0.693SS**PPolyproline II helixtrans-54.4142.7174.6-22.431.9000110.6S130P126-S130 WeakPolarHBondContact CB-OG 3.37Å
127P70.8Confident60.1Low93 Ų93111.7 Ų111.760%0.60471%0.713SS**PPolyproline II helixtrans-58.1143179.220.7-30.1000110.9G129 S130P127-G129 PolarHBondContact O-N 3.04Å; P127-S130 WeakPolarHBondContact O-CB 3.28Å; P127-S130 PolarHBondContact O-N 2.64Å; P127-S130 PolarHBondContact O-OG 3Å
128P48.3Very low60.6Low141 Ų141107 Ų10792%0.91671%0.706SS**THydrogen-bonded Turntrans-55.9127.1177-20.530.2000110.5
129G62.2Low61.6Low75 Ų75102.9 Ų102.977%0.77369%0.689SS**THydrogen-bonded Turntrans93.8-0.1-17700000114.9P127 N131P127-G129 PolarHBondContact O-N 3.04Å; G129-N131 PolarHBondContact O-N 3.42Å; G129-N131 VanDerWaalsContact O-N 3.11Å
130S58Low62.9Low52 Ų52102.1 Ų102.136%0.36468%0.683SS.*  trans-64.8110.815752.60000107.7P126 P127 P132P126-S130 WeakPolarHBondContact CB-OG 3.37Å; P127-S130 WeakPolarHBondContact O-CB 3.28Å; P127-S130 PolarHBondContact O-N 2.64Å; P127-S130 PolarHBondContact O-OG 3Å; S130-P132 WeakPolarHBondContact O-CD 3.3Å
131N59.3Low64Low151 Ų151104.3 Ų104.381%0.80768%0.675SS**  trans-84.190.8159-73.5-33.3000105G129 G133G129-N131 PolarHBondContact O-N 3.42Å; G129-N131 VanDerWaalsContact O-N 3.11Å; N131-G133 PolarHBondContact O-N 3.08Å
132P59.8Low64.9Low110 Ų110106.2 Ų106.271%0.71467%0.668SS**  trans-53.7118.5164.524.1-31.1000105.3S130 M134S130-P132 WeakPolarHBondContact O-CD 3.3Å; P132-M134 PolarHBondContact O-N 3.45Å; P132-M134 VanDerWaalsContact O-N 3.08Å
133G59.8Low65.6Low63 Ų63110.3 Ų110.365%0.64967%0.673SS**  trans-48.5124.4-173.900000108.7N131 V135N131-G133 PolarHBondContact O-N 3.08Å; G133-V135 PolarHBondContact O-N 2.94Å
134M63Low66.2Low190 Ų190109.9 Ų109.994%0.93667%0.669SS**  trans-61.5106178.8-140.5167.779.100106.1P132 G136P132-M134 PolarHBondContact O-N 3.45Å; P132-M134 VanDerWaalsContact O-N 3.08Å; M134-G136 PolarHBondContact O-N 3.33Å
135V64.6Low66.5Low69 Ų69103.1 Ų103.142%0.41865%0.65SS.*  trans-62.5132.7-176.1-175.80000107.5G133 D139 Y142G133-V135 PolarHBondContact O-N 2.94Å; V135-D139 HydrophobicContact CG1-CB 3.41Å; V135-D139 VanDerWaalsContact CG1-CB 3.41Å; V135-D139 WeakPolarHBondContact CG1-OD2 3.26Å; V135-Y142 HydrophobicContact CB-CD2 4.39Å; V135-Y142 HydrophobicContact CB-CE2 4.45Å; V135-Y142 HydrophobicContact CG1-CD2 3.56Å; V135-Y142 HydrophobicContact CG1-CE2 3.84Å; V135-Y142 HydrophobicContact CG1-CG 4.3Å; V135-Y142 HydrophobicContact CG2-CD2 4.47Å; V135-Y142 HydrophobicContact CG2-CE2 4.05Å
136G65.2Low66.8Low51 Ų51101.8 Ų101.853%0.52664%0.639SS.*  trans-57.8141.7-17900000110.6M134 A138 D139M134-G136 PolarHBondContact O-N 3.33Å; G136-A138 PolarHBondContact O-N 3.27Å; G136-D139 PolarHBondContact O-N 3.06Å
137T64.6Low67.2Low138 Ų138101 Ų10185%0.84765%0.649SS**THydrogen-bonded Turntrans-57.8-9.3178.8340000114.6
138A73.3Confident67.4Low86 Ų86101.4 Ų101.471%0.71165%0.645SS**THydrogen-bonded Turntrans-114.116.4178.900000113.9G136 P140G136-A138 PolarHBondContact O-N 3.27Å; A138-P140 WeakPolarHBondContact O-CD 3.39Å
139D76.3Confident68.4Low54 Ų5499.2 Ų99.229%0.28963%0.626SS.*  trans-65.5122.9175.7-170.9-38.7000110.7V135 G136 N141 Y142 Q143V135-D139 HydrophobicContact CG1-CB 3.41Å; V135-D139 VanDerWaalsContact CG1-CB 3.41Å; V135-D139 WeakPolarHBondContact CG1-OD2 3.26Å; G136-D139 PolarHBondContact O-N 3.06Å; D139-N141 PolarHBondContact O-N 3.31Å; D139-N141 VanDerWaalsContact O-N 3.15Å; D139-N141 VanDerWaalsContact OD1-CB 3.32Å; D139-N141 WeakPolarHBondContact OD1-CB 3.48Å; D139-N141 PolarHBondContact OD1-N 2.92Å; D139-Y142 HydrophobicContact CB-CD2 4.04Å; D139-Y142 PolarHBondContact O-N 3.1Å; D139-Q143 PolarHBondContact O-N 3.37Å
140P79.3Confident68.7Low107 Ų107100.9 Ų100.970%0.69562%0.617SS**G310 helixtrans-54.7-30.6178.3-25.834.6000114.2A138 Y142A138-P140 WeakPolarHBondContact O-CD 3.39Å; P140-Y142 VanDerWaalsContact C-N 3.3Å; P140-Y142 PolarHBondContact O-N 3.36Å
141N76.6Confident69.2Low131 Ų131103.2 Ų103.270%0.70163%0.626SS**G310 helixtrans-79.7-11.7-178.5-16227.3000113.2D139D139-N141 PolarHBondContact O-N 3.31Å; D139-N141 VanDerWaalsContact O-N 3.15Å; D139-N141 VanDerWaalsContact OD1-CB 3.32Å; D139-N141 WeakPolarHBondContact OD1-CB 3.48Å; D139-N141 PolarHBondContact OD1-N 2.92Å
142Y74.1Confident69.4Low108 Ų108103.2 Ų103.242%0.42463%0.625SS.*G310 helixtrans-123.920.6-178.9-63.1-86.8000113V135 D139 P140 T144 L145 A146V135-Y142 HydrophobicContact CB-CD2 4.39Å; V135-Y142 HydrophobicContact CB-CE2 4.45Å; V135-Y142 HydrophobicContact CG1-CD2 3.56Å; V135-Y142 HydrophobicContact CG1-CE2 3.84Å; V135-Y142 HydrophobicContact CG1-CG 4.3Å; V135-Y142 HydrophobicContact CG2-CD2 4.47Å; V135-Y142 HydrophobicContact CG2-CE2 4.05Å; D139-Y142 HydrophobicContact CB-CD2 4.04Å; D139-Y142 PolarHBondContact O-N 3.1Å; P140-Y142 VanDerWaalsContact C-N 3.3Å; P140-Y142 PolarHBondContact O-N 3.36Å; Y142-T144 PolarHBondContact O-N 2.96Å; Y142-T144 VanDerWaalsContact O-N 3.13Å; Y142-L145 HydrophobicContact CD1-CD1 3.91Å; Y142-L145 PolarHBondContact O-N 3.42Å; Y142-A146 PolarHBondContact O-N 3.41Å
143Q78.5Confident69.6Low139 Ų139102.2 Ų102.265%0.6562%0.616SS**THydrogen-bonded Turntrans-57.5-28.5178.5-74.9-150.510.500114D139 L145 A146D139-Q143 PolarHBondContact O-N 3.37Å; Q143-L145 PolarHBondContact O-N 3.39Å; Q143-A146 WeakPolarHBondContact O-CB 3.35Å; Q143-A146 PolarHBondContact O-N 3.38Å
144T72.9Confident70Confident125 Ų125107.3 Ų107.377%0.76762%0.621SS**THydrogen-bonded Turntrans-70.5-16.9177.554.10000113.4Y142Y142-T144 PolarHBondContact O-N 2.96Å; Y142-T144 VanDerWaalsContact O-N 3.13Å
145L70.3Confident69.6Low99 Ų99100.8 Ų100.852%0.51860%0.602SS.*THydrogen-bonded Turntrans-97.8-15175.5-54-177.8000112Y142 Q143 G147 L148Y142-L145 HydrophobicContact CD1-CD1 3.91Å; Y142-L145 PolarHBondContact O-N 3.42Å; Q143-L145 PolarHBondContact O-N 3.39Å; L145-G147 PolarHBondContact O-N 3.11Å; L145-G147 VanDerWaalsContact O-N 3.17Å; L145-L148 HydrophobicContact CD2-CD1 3.65Å; L145-L148 PolarHBondContact O-N 3.29Å
146A65.6Low69.1Low58 Ų5899.3 Ų99.348%0.47960%0.601SS.*THydrogen-bonded Turntrans-66.3113172.600000109.4Y142 Q143Y142-A146 PolarHBondContact O-N 3.41Å; Q143-A146 WeakPolarHBondContact O-CB 3.35Å; Q143-A146 PolarHBondContact O-N 3.38Å
147G69.1Low68.8Low82 Ų82101 Ų10185%0.84562%0.619SS**THydrogen-bonded Turntrans101.9-2-178.200000115.2L145 N149L145-G147 PolarHBondContact O-N 3.11Å; L145-G147 VanDerWaalsContact O-N 3.17Å; G147-N149 PolarHBondContact O-N 3.04Å
148L75.6Confident68.1Low100 Ų10098.5 Ų98.552%0.52462%0.62SS.*  trans-71.6111.4164.9-68.7179.9000109.1L145 N150L145-L148 HydrophobicContact CD2-CD1 3.65Å; L145-L148 PolarHBondContact O-N 3.29Å; L148-N150 PolarHBondContact O-N 3.37Å
149N67.9Low66.9Low96 Ų9697.8 Ų97.851%0.51362%0.622SS.*  trans-79106.7177.3-127.7-17.4000108.7G147 D151 L152 V153G147-N149 PolarHBondContact O-N 3.04Å; N149-D151 PolarHBondContact O-N 3.36Å; N149-D151 VanDerWaalsContact O-N 3.09Å; N149-L152 HydrophobicContact CB-CB 4.26Å; N149-L152 HydrophobicContact CB-CD1 3.79Å; N149-L152 HydrophobicContact CB-CG 4.2Å; N149-L152 PolarHBondContact O-N 2.88Å; N149-V153 PolarHBondContact O-N 3.35Å
150N68.2Low66Low110 Ų11098.3 Ų98.359%0.58864%0.64SS**Hα-helixtrans-55.5-29.2179.9-74-23.4000112.3L148 L152 V153 F154L148-N150 PolarHBondContact O-N 3.37Å; N150-L152 VanDerWaalsContact C-N 3.34Å; N150-L152 PolarHBondContact O-N 2.89Å; N150-V153 PolarHBondContact O-N 2.76Å; N150-F154 PolarHBondContact O-N 3.33Å
151D69.3Low65.1Low101 Ų10199.3 Ų99.354%0.5465%0.646SS.*Hα-helixtrans-68.6-29.2177-63.7-25.6000113.6N149 G155 G156N149-D151 PolarHBondContact O-N 3.36Å; N149-D151 VanDerWaalsContact O-N 3.09Å; D151-G155 CarbonylContact O-C 3.53Å; D151-G155 WeakPolarHBondContact O-CA 3.14Å; D151-G155 PolarHBondContact O-N 2.73Å; D151-G155 VanDerWaalsContact O-N 3.13Å; D151-G156 PolarHBondContact O-N 3.09Å; D151-G156 WeakPolarHBondContact OD1-CA 3.34Å
152L64.6Low64.4Low151 Ų15197.2 Ų97.279%0.79165%0.647SS**Hα-helixtrans-81.8-24.8175.8-76.1165.2000111.9N149 N150N149-L152 HydrophobicContact CB-CB 4.26Å; N149-L152 HydrophobicContact CB-CD1 3.79Å; N149-L152 HydrophobicContact CB-CG 4.2Å; N149-L152 PolarHBondContact O-N 2.88Å; N150-L152 VanDerWaalsContact C-N 3.34Å; N150-L152 PolarHBondContact O-N 2.89Å
153V63.9Low64Low88 Ų8897.5 Ų97.553%0.53366%0.662SS.*Hα-helixtrans-92.5-40.1-176.8-1790000111.8N149 N150N149-V153 PolarHBondContact O-N 3.35Å; N150-V153 PolarHBondContact O-N 2.76Å
154F66.9Low63Low170 Ų17097 Ų9775%0.74667%0.671SS**Hα-helixtrans-114.54.2-176.8-63.6-70.4000114.1N150N150-F154 PolarHBondContact O-N 3.33Å
155G55.9Low62.8Low53 Ų53100.3 Ų100.355%0.54667%0.674SS.*THydrogen-bonded Turntrans73.1110.2-174.900000110D151 G157D151-G155 CarbonylContact O-C 3.53Å; D151-G155 WeakPolarHBondContact O-CA 3.14Å; D151-G155 PolarHBondContact O-N 2.73Å; D151-G155 VanDerWaalsContact O-N 3.13Å; G155-G157 PolarHBondContact O-N 2.67Å
156G52.6Low62.3Low38 Ų3899.4 Ų99.439%0.39268%0.681SS.*  trans-48.2133.6170.800000110.3D151 G158D151-G156 PolarHBondContact O-N 3.09Å; D151-G156 WeakPolarHBondContact OD1-CA 3.34Å; G156-G158 PolarHBondContact O-N 3.11Å
157G58.8Low62Low87 Ų87101.9 Ų101.990%0.89769%0.693SS**SBendtrans-51.8129.3-176.800000111.5G155G155-G157 PolarHBondContact O-N 2.67Å
158G51.4Low61.9Low85 Ų85104.7 Ų104.788%0.87669%0.693SS**SBendtrans11749.7167.400000115.5G156G156-G158 PolarHBondContact O-N 3.11Å
159G48.3Very low61.2Low72 Ų72106.1 Ų106.174%0.74271%0.706SS**  trans173.636.2172.700000115.4
160G55.7Low60.8Low65 Ų65105.5 Ų105.567%0.6772%0.722SS**  trans-64142.7168.400000109.8A162G160-A162 PolarHBondContact O-N 3.23Å
161P60.6Low60.7Low128 Ų128103.1 Ų103.183%0.83172%0.724SS**  trans-52139.2168.422.7-30.5000108.4
162A63Low60.7Low87 Ų87108.6 Ų108.672%0.71974%0.743SS**  trans-43.4136.2-174.500000110.7G160G160-A162 PolarHBondContact O-N 3.23Å
163P64.8Low60.9Low113 Ų113103.7 Ų103.773%0.73472%0.724SS**PPolyproline II helixtrans-52.5134.9178.121.8-32000108.4K165P163-K165 PolarHBondContact O-N 2.95Å
164P58.5Low61.5Low128 Ų128102.8 Ų102.883%0.83173%0.726SS**PPolyproline II helixtrans-53.5121.8-179.420.8-31.2000108A166P164-A166 PolarHBondContact O-N 3.24Å; P164-A166 VanDerWaalsContact O-N 3.14Å
165K67.2Low61.6Low195 Ų195100.5 Ų100.585%0.84873%0.726SS**PPolyproline II helixtrans-58122.7-178.8-154.2170.1-173.4175.70107P163P163-K165 PolarHBondContact O-N 2.95Å
166A60Low62.7Low80 Ų80103.9 Ų103.966%0.66173%0.732SS**PPolyproline II helixtrans-52.1137.8175.800000108.7P164 T168P164-A166 PolarHBondContact O-N 3.24Å; P164-A166 VanDerWaalsContact O-N 3.14Å; A166-T168 PolarHBondContact O-N 3.08Å
167P59.8Low64.1Low111 Ų111104.3 Ų104.372%0.72173%0.725SS**PPolyproline II helixtrans-51.3129.5177.8-19.526.5000109.2V169P167-V169 PolarHBondContact O-N 3.02Å
168T66.6Low65.3Low140 Ų140105.8 Ų105.886%0.85972%0.719SS**SBendtrans-60.9-17.8178.4-520000111.9A166 G170A166-T168 PolarHBondContact O-N 3.08Å; T168-G170 PolarHBondContact O-N 3.47Å
169V60.8Low66.8Low130 Ų130107.7 Ų107.779%0.78871%0.709SS**  trans-91.578.7176.5-170.50000109.5P167 G171P167-V169 PolarHBondContact O-N 3.02Å; V169-G171 PolarHBondContact O-N 3.31Å
170G59.2Low68.3Low83 Ų83109.7 Ų109.786%0.85670%0.695SS**  trans-81.398.215900000108.8T168T168-G170 PolarHBondContact O-N 3.47Å
171G67.1Low69.5Low60 Ų60111.5 Ų111.562%0.61969%0.686SS**  trans-148.7144.1175.600000109.8V169 A173V169-G171 PolarHBondContact O-N 3.31Å; G171-A173 PolarHBondContact O-N 3.47Å
172K68.9Low70.4Confident216 Ų216111 Ų11194%0.93968%0.681SS**PPolyproline II helixtrans-60.5131.9167.7-65.2-178.5179.3-175.50107.3
173A69.8Low71Confident48 Ų48111.6 Ų111.640%0.39767%0.671SS.*PPolyproline II helixtrans-55144.5170.700000109.2G171 D177 Y180G171-A173 PolarHBondContact O-N 3.47Å; A173-D177 HydrophobicContact CB-CB 4.15Å; A173-Y180 HydrophobicContact CB-CD2 3.43Å; A173-Y180 VanDerWaalsContact CB-CD2 3.43Å; A173-Y180 HydrophobicContact CB-CE2 3.68Å; A173-Y180 HydrophobicContact CB-CG 4.19Å
174A75.1Confident71.4Confident69 Ų69107.8 Ų107.857%0.5765%0.649SS**PPolyproline II helixtrans-61.3149.3175.400000109.5N176 D177A174-N176 PolarHBondContact O-N 3Å; A174-D177 WeakPolarHBondContact O-CB 3.48Å; A174-D177 PolarHBondContact O-N 3.43Å
175T70.1Confident72.2Confident122 Ų122107.8 Ų107.875%0.74864%0.642SS**THydrogen-bonded Turntrans-53.4-26179.2-49.60000113
176N78.3Confident73Confident125 Ų125103.1 Ų103.167%0.66863%0.626SS**THydrogen-bonded Turntrans-117.536.7178.8-58.4-37.6000112.3A174 P178A174-N176 PolarHBondContact O-N 3Å; N176-P178 WeakPolarHBondContact O-CD 3.5Å
177D82.4Confident73.8Confident47 Ų47104.5 Ų104.525%0.25162%0.619SS.*  trans-68.2121.6174.1-170.6-39.8000110.1A173 A174 N179 Y180 Q181A173-D177 HydrophobicContact CB-CB 4.15Å; A174-D177 WeakPolarHBondContact O-CB 3.48Å; A174-D177 PolarHBondContact O-N 3.43Å; D177-N179 PolarHBondContact O-N 3.28Å; D177-N179 VanDerWaalsContact OD1-CB 3.27Å; D177-N179 WeakPolarHBondContact OD1-CB 3.37Å; D177-N179 PolarHBondContact OD1-N 3.24Å; D177-Y180 HydrophobicContact CB-CD2 3.96Å; D177-Y180 CarbonylContact O-C 3.52Å; D177-Y180 PolarHBondContact O-N 3.21Å; D177-Q181 PolarHBondContact O-N 3.04Å
178P84.8Confident74.6Confident118 Ų118104.8 Ų104.877%0.76661%0.614SS**G310 helixtrans-55.9-26.3179.4-25.634.5000114.1N176 Y180N176-P178 WeakPolarHBondContact O-CD 3.5Å; P178-Y180 VanDerWaalsContact C-N 3.34Å
179N81.3Confident75.1Confident124 Ų124106.3 Ų106.366%0.66361%0.611SS**G310 helixtrans-81.4-12179-165.640.7000113.3D177D177-N179 PolarHBondContact O-N 3.28Å; D177-N179 VanDerWaalsContact OD1-CB 3.27Å; D177-N179 WeakPolarHBondContact OD1-CB 3.37Å; D177-N179 PolarHBondContact OD1-N 3.24Å
180Y80.8Confident75.7Confident114 Ų114106.5 Ų106.545%0.44760%0.604SS.*G310 helixtrans-124.422.1-179.8-63-76.8000113A173 D177 P178 T182 L183A173-Y180 HydrophobicContact CB-CD2 3.43Å; A173-Y180 VanDerWaalsContact CB-CD2 3.43Å; A173-Y180 HydrophobicContact CB-CE2 3.68Å; A173-Y180 HydrophobicContact CB-CG 4.19Å; D177-Y180 HydrophobicContact CB-CD2 3.96Å; D177-Y180 CarbonylContact O-C 3.52Å; D177-Y180 PolarHBondContact O-N 3.21Å; P178-Y180 VanDerWaalsContact C-N 3.34Å; Y180-T182 PolarHBondContact O-N 3.05Å; Y180-T182 VanDerWaalsContact O-N 3.1Å; Y180-L183 HydrophobicContact CD1-CD1 3.91Å; Y180-L183 PolarHBondContact O-N 3.44Å
181Q81.5Confident76.5Confident103 Ų103106.8 Ų106.848%0.48159%0.585SS.*G310 helixtrans-56.5-31.3-177.4-163.863.35000113.4D177 L183 A184D177-Q181 PolarHBondContact O-N 3.04Å; Q181-L183 PolarHBondContact O-N 3.31Å; Q181-A184 PolarHBondContact O-N 3.22Å
182T78.1Confident77.1Confident119 Ų119111.5 Ų111.573%0.7359%0.589SS**G310 helixtrans-72-12.2178.154.20000114.1Y180Y180-T182 PolarHBondContact O-N 3.05Å; Y180-T182 VanDerWaalsContact O-N 3.1Å
183L75.8Confident77.5Confident99 Ų99109.1 Ų109.152%0.51858%0.578SS.*G310 helixtrans-103.2-7.1178.3-56.3-179.3000112.5Y180 Q181 D185 L186Y180-L183 HydrophobicContact CD1-CD1 3.91Å; Y180-L183 PolarHBondContact O-N 3.44Å; Q181-L183 PolarHBondContact O-N 3.31Å; L183-D185 PolarHBondContact O-N 3.44Å; L183-L186 HydrophobicContact CD2-CD2 4.34Å; L183-L186 PolarHBondContact O-N 2.83Å
184A74.4Confident77.4Confident33 Ų33116.1 Ų116.127%0.27360%0.602SS.*THydrogen-bonded Turntrans-65.5-29.2-179.200000112.7Q181Q181-A184 PolarHBondContact O-N 3.22Å
185D74.5Confident76.9Confident127 Ų127122.1 Ų122.168%0.67962%0.616SS**THydrogen-bonded Turntrans-100.76.9-177.5-57.6-32.8000113.2L183 H187L183-D185 PolarHBondContact O-N 3.44Å; D185-H187 PolarHBondContact O-N 3.22Å
186L82.8Confident76.3Confident98 Ų98120 Ų12051%0.51362%0.619SS.*  trans-86.5100.9175.4-101.671.5000110.4L183 I191L183-L186 HydrophobicContact CD2-CD2 4.34Å; L183-L186 PolarHBondContact O-N 2.83Å; L186-I191 HydrophobicContact CB-CD1 4.04Å; L186-I191 HydrophobicContact CD2-CD1 3.85Å; L186-I191 HydrophobicContact CG-CD1 3.87Å
187H77.8Confident75.6Confident109 Ų109118 Ų11851%0.50562%0.619SS.*  trans-89.7123.7173-63.3-64.6000111.2D185 E189 E190 I191D185-H187 PolarHBondContact O-N 3.22Å; H187-E189 PolarHBondContact O-N 3.21Å; H187-E189 VanDerWaalsContact O-N 3.11Å; H187-E190 HydrophobicContact CB-CG 4.31Å; H187-E190 PolarHBondContact O-N 2.95Å; H187-I191 WeakPolarHBondContact O-CG1 3.39Å; H187-I191 PolarHBondContact O-N 3.08Å
188N76.8Confident74.5Confident117 Ų117123.5 Ų123.563%0.62664%0.641SS**Hα-helixtrans-56.3-30.1179.7-71.7-14.3000113.2E190 I191 F192N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.22Å; N188-I191 PolarHBondContact O-N 3.12Å; N188-F192 PolarHBondContact O-N 3.2Å
189E77.8Confident73.3Confident171 Ų171122.8 Ų122.880%0.79964%0.636SS**Hα-helixtrans-68.5-29.8179.5-62.6174.3-167.200112.8H187H187-E189 PolarHBondContact O-N 3.21Å; H187-E189 VanDerWaalsContact O-N 3.11Å
190E73.4Confident72.3Confident135 Ų135121.5 Ų121.563%0.63164%0.635SS**Hα-helixtrans-83-31.3176.3-63.9-173.6-164.200112H187 N188H187-E190 HydrophobicContact CB-CG 4.31Å; H187-E190 PolarHBondContact O-N 2.95Å; N188-E190 VanDerWaalsContact C-N 3.32Å; N188-E190 PolarHBondContact O-N 3.22Å
191I75.8Confident71.3Confident88 Ų88124.1 Ų124.145%0.45165%0.651SS.*Hα-helixtrans-77-42179.6-60.3168.1000110.8L186 H187 N188L186-I191 HydrophobicContact CB-CD1 4.04Å; L186-I191 HydrophobicContact CD2-CD1 3.85Å; L186-I191 HydrophobicContact CG-CD1 3.87Å; H187-I191 WeakPolarHBondContact O-CG1 3.39Å; H187-I191 PolarHBondContact O-N 3.08Å; N188-I191 PolarHBondContact O-N 3.12Å
192F78.6Confident70.2Confident160 Ų160126 Ų12670%0.70266%0.664SS**SBendtrans-113.671.7177-58.9-74.3000109.5N188 E194N188-F192 PolarHBondContact O-N 3.2Å; F192-E194 PolarHBondContact O-N 3.29Å
193K77.4Confident69.2Low166 Ų166125.9 Ų125.972%0.72266%0.663SS**  trans-61.9113163.4-62.9-179.2-174.8-179.70106.7K195K193-K195 PolarHBondContact O-N 3.38Å
194E68.1Low68.6Low194 Ų194125 Ų12591%0.90767%0.671SS**  trans-58.493163.1-93.2-172.5165.900106.6F192 G196F192-E194 PolarHBondContact O-N 3.29Å; E194-G196 PolarHBondContact O-N 2.94Å
195K63.6Low68.2Low195 Ų195132.8 Ų132.885%0.84870%0.698SS**  trans-64.1100.9162.1-160.6-179.9-172-178.10102.7K193 A197K193-K195 PolarHBondContact O-N 3.38Å; K195-A197 PolarHBondContact O-N 3.11Å
196G58.6Low67.7Low79 Ų79129.2 Ų129.281%0.81469%0.686SS**  trans-62.246-177.300000114E194 K198E194-G196 PolarHBondContact O-N 2.94Å; G196-K198 VanDerWaalsContact C-N 3.31Å; G196-K198 PolarHBondContact O-N 3.14Å
197A62.6Low67.2Low82 Ų82127.9 Ų127.968%0.67869%0.689SS**  trans-67.997.3163.400000106K195K195-A197 PolarHBondContact O-N 3.11Å
198K59.5Low66.7Low162 Ų162128.2 Ų128.270%0.70470%0.699SS**  trans-39.7131.4154-120.9172.1176.5172.70107.3G196G196-K198 VanDerWaalsContact C-N 3.31Å; G196-K198 PolarHBondContact O-N 3.14Å
199P60.2Low66.6Low104 Ų104129.2 Ų129.268%0.67570%0.704SS**  trans-51135.6167.521.5-30.3000107.1E201P199-E201 PolarHBondContact O-N 3.36Å
200P60.2Low66.7Low97 Ų97123.4 Ų123.463%0.6368%0.679SS**  trans-52.6119.6-17619.8-30.7000108.4N202 V203P200-N202 CarbonylContact O-C 3.52Å; P200-N202 PolarHBondContact O-N 2.99Å; P200-V203 HydrophobicContact CG-CG2 4.18Å; P200-V203 PolarHBondContact O-N 3.38Å
201E59.6Low67.2Low168 Ų168122 Ų12279%0.78568%0.682SS**SBendtrans-62.2-12-176.6-158.5148.1-173.700111.6P199P199-E201 PolarHBondContact O-N 3.36Å
202N59.4Low67.4Low142 Ų142123.9 Ų123.976%0.75969%0.693SS**  trans-11676.6166.6-79.2-54.7000111.5P200 A204P200-N202 CarbonylContact O-C 3.52Å; P200-N202 PolarHBondContact O-N 2.99Å; N202-A204 PolarHBondContact O-N 3.47Å; N202-A204 VanDerWaalsContact O-N 3.08Å
203V56.7Low67.4Low117 Ų117121.5 Ų121.571%0.70968%0.68SS**  trans-76.180.1146.4-172.90000105.8P200 K205P200-V203 HydrophobicContact CG-CG2 4.18Å; P200-V203 PolarHBondContact O-N 3.38Å; V203-K205 PolarHBondContact O-N 3.48Å
204A62.9Low67.4Low82 Ų82120 Ų12068%0.67868%0.675SS**  trans-60.5110.8174.500000107.5N202 A206N202-A204 PolarHBondContact O-N 3.47Å; N202-A204 VanDerWaalsContact O-N 3.08Å; A204-A206 PolarHBondContact O-N 3.45Å
205K66.1Low67.8Low196 Ų196116.5 Ų116.585%0.85267%0.668SS**PPolyproline II helixtrans-54.8133.6166.6-65.9177-178.51760106.6V203 A207V203-K205 PolarHBondContact O-N 3.48Å; K205-A207 PolarHBondContact O-N 3.22Å
206A64.9Low68.3Low51 Ų51112.2 Ų112.242%0.42165%0.653SS.*PPolyproline II helixtrans-50.2134.9175.800000109.3A204 D210 Y213A204-A206 PolarHBondContact O-N 3.45Å; A206-D210 HydrophobicContact CB-CB 4.3Å; A206-Y213 HydrophobicContact CB-CD2 3.45Å; A206-Y213 VanDerWaalsContact CB-CD2 3.45Å; A206-Y213 HydrophobicContact CB-CE2 3.61Å; A206-Y213 HydrophobicContact CB-CG 4.23Å
207A71.1Confident68.9Low70 Ų70110.8 Ų110.858%0.57963%0.634SS**PPolyproline II helixtrans-60.1148.9179.300000109.4K205 N209 D210K205-A207 PolarHBondContact O-N 3.22Å; A207-N209 PolarHBondContact O-N 3.26Å; A207-D210 WeakPolarHBondContact O-CB 3.37Å; A207-D210 PolarHBondContact O-N 3.47Å
208T66.8Low69.4Low117 Ų117110 Ų11072%0.71863%0.634SS**THydrogen-bonded Turntrans-52.2-23.1-179.6-50.20000113.5
209N75.6Confident70.4Confident137 Ų137107 Ų10773%0.73363%0.625SS**THydrogen-bonded Turntrans-116.624.2-178.8-58.5-35.3000113.5A207 P211A207-N209 PolarHBondContact O-N 3.26Å; N209-P211 WeakPolarHBondContact O-CD 3.49Å
210D80.4Confident71Confident50 Ų50109.9 Ų109.927%0.26762%0.622SS.*  trans-60.2124.1175.8-172-36.4000110.4A206 A207 N212 Y213 Q214A206-D210 HydrophobicContact CB-CB 4.3Å; A207-D210 WeakPolarHBondContact O-CB 3.37Å; A207-D210 PolarHBondContact O-N 3.47Å; D210-N212 PolarHBondContact O-N 2.95Å; D210-N212 VanDerWaalsContact O-N 3.1Å; D210-N212 WeakPolarHBondContact OD1-CB 3.13Å; D210-N212 PolarHBondContact OD1-N 3.45Å; D210-Y213 HydrophobicContact CB-CD2 3.93Å; D210-Y213 CarbonylContact O-C 3.52Å; D210-Y213 PolarHBondContact O-N 2.97Å; D210-Q214 PolarHBondContact O-N 3.38Å
211P82.9Confident71.6Confident106 Ų106110.7 Ų110.769%0.68862%0.622SS**G310 helixtrans-53.1-30.1178-26.834.9000114.2N209 Y213N209-P211 WeakPolarHBondContact O-CD 3.49Å; P211-Y213 VanDerWaalsContact C-N 3.32Å
212N80.3Confident72.4Confident126 Ų126109.2 Ų109.267%0.67462%0.619SS**G310 helixtrans-80.2-13.1-179.6-16227.1000113.2D210D210-N212 PolarHBondContact O-N 2.95Å; D210-N212 VanDerWaalsContact O-N 3.1Å; D210-N212 WeakPolarHBondContact OD1-CB 3.13Å; D210-N212 PolarHBondContact OD1-N 3.45Å
213Y78.4Confident73Confident110 Ų110108 Ų10843%0.43161%0.609SS.*G310 helixtrans-123.721.8-179.1-61.6-77.5000113.3A206 D210 P211 T215 L216 A217A206-Y213 HydrophobicContact CB-CD2 3.45Å; A206-Y213 VanDerWaalsContact CB-CD2 3.45Å; A206-Y213 HydrophobicContact CB-CE2 3.61Å; A206-Y213 HydrophobicContact CB-CG 4.23Å; D210-Y213 HydrophobicContact CB-CD2 3.93Å; D210-Y213 CarbonylContact O-C 3.52Å; D210-Y213 PolarHBondContact O-N 2.97Å; P211-Y213 VanDerWaalsContact C-N 3.32Å; Y213-T215 PolarHBondContact O-N 3.36Å; Y213-T215 VanDerWaalsContact O-N 3.17Å; Y213-L216 HydrophobicContact CD1-CD1 3.94Å; Y213-L216 WeakPolarHBondContact O-CA 3.39Å; Y213-L216 PolarHBondContact O-N 3.04Å; Y213-A217 PolarHBondContact O-N 2.97Å
214Q77.9Confident74Confident134 Ų134106.4 Ų106.463%0.62660%0.596SS**G310 helixtrans-58.6-29.7179-70.4-155.419.300113.8D210 L216 A217D210-Q214 PolarHBondContact O-N 3.38Å; Q214-L216 PolarHBondContact O-N 3.08Å; Q214-A217 WeakPolarHBondContact O-CB 3.49Å; Q214-A217 PolarHBondContact O-N 3.37Å
215T76.4Confident74.9Confident122 Ų122109.9 Ų109.975%0.74860%0.596SS**G310 helixtrans-69.5-18.7176.154.30000113.1Y213 L219Y213-T215 PolarHBondContact O-N 3.36Å; Y213-T215 VanDerWaalsContact O-N 3.17Å; T215-L219 WeakPolarHBondContact O-CD1 3.31Å
216L73.7Confident75.4Confident104 Ų104108.2 Ų108.255%0.54559%0.588SS.*G310 helixtrans-96.5-10.1175.5-56.4-177000112.4Y213 Q214 G218 L219Y213-L216 HydrophobicContact CD1-CD1 3.94Å; Y213-L216 WeakPolarHBondContact O-CA 3.39Å; Y213-L216 PolarHBondContact O-N 3.04Å; Q214-L216 PolarHBondContact O-N 3.08Å; L216-G218 PolarHBondContact O-N 3.27Å; L216-L219 HydrophobicContact CD2-CD1 3.96Å; L216-L219 PolarHBondContact O-N 3.45Å
217A72.3Confident75.7Confident49 Ų49110.7 Ų110.741%0.40560%0.6SS.*THydrogen-bonded Turntrans-67124.1175.300000109.9Y213 Q214Y213-A217 PolarHBondContact O-N 2.97Å; Q214-A217 WeakPolarHBondContact O-CB 3.49Å; Q214-A217 PolarHBondContact O-N 3.37Å
218G72.4Confident75.2Confident67 Ų67117.2 Ų117.269%0.69162%0.616SS**THydrogen-bonded Turntrans91.3-7.3-179.600000115.5L216 R220L216-G218 PolarHBondContact O-N 3.27Å; G218-R220 PolarHBondContact O-N 2.99Å
219L79.7Confident74.9Confident98 Ų98118.5 Ų118.551%0.51362%0.618SS.*  trans-72.491.1169.9-87.2149.9000109.8T215 L216 I224T215-L219 WeakPolarHBondContact O-CD1 3.31Å; L216-L219 HydrophobicContact CD2-CD1 3.96Å; L216-L219 PolarHBondContact O-N 3.45Å; L219-I224 HydrophobicContact CB-CD1 3.97Å; L219-I224 HydrophobicContact CD2-CD1 3.41Å; L219-I224 VanDerWaalsContact CD2-CD1 3.41Å; L219-I224 HydrophobicContact CD2-CG1 3.84Å; L219-I224 HydrophobicContact CG-CD1 4.3Å
220R73.6Confident73.4Confident164 Ų164117.7 Ų117.762%0.61962%0.62SS**  trans-84.6124.9174.1-73-179.2155.5161.9-3.9110G218 D222 E223 I224G218-R220 PolarHBondContact O-N 2.99Å; R220-D222 PolarHBondContact O-N 2.89Å; R220-D222 VanDerWaalsContact O-N 3.11Å; R220-E223 HydrophobicContact CB-CB 4.36Å; R220-E223 HydrophobicContact CB-CG 4.11Å; R220-E223 WeakPolarHBondContact CD-OE1 3.39Å; R220-E223 PolarHBondContact O-N 3.42Å; R220-I224 WeakPolarHBondContact O-CG1 3.48Å; R220-I224 PolarHBondContact O-N 3.46Å; R220-I224 VanDerWaalsContact O-N 3.15Å
221N72.8Confident71.9Confident115 Ų115119.9 Ų119.962%0.61565%0.645SS**Hα-helixtrans-52.6-35177.2-70.3-29.1000112.6E223 I224 F225N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.37Å; N221-I224 PolarHBondContact O-N 3.31Å; N221-F225 WeakPolarHBondContact O-CD2 3.47Å; N221-F225 PolarHBondContact O-N 3.21Å
222D75.7Confident70.1Confident137 Ų137118.4 Ų118.473%0.73364%0.642SS**Hα-helixtrans-67.3-28179.3-52.8-35000113.3R220R220-D222 PolarHBondContact O-N 2.89Å; R220-D222 VanDerWaalsContact O-N 3.11Å
223E73.1Confident68.4Low117 Ų117118.3 Ų118.355%0.54765%0.648SS.*Hα-helixtrans-87.1-29178-65.1179.9-152.600111.9R220 N221R220-E223 HydrophobicContact CB-CB 4.36Å; R220-E223 HydrophobicContact CB-CG 4.11Å; R220-E223 WeakPolarHBondContact CD-OE1 3.39Å; R220-E223 PolarHBondContact O-N 3.42Å; N221-E223 VanDerWaalsContact C-N 3.29Å; N221-E223 PolarHBondContact O-N 3.37Å
224I77.8Confident66.7Low83 Ų83119.3 Ų119.343%0.42667%0.666SS.*Hα-helixtrans-77.6-39.2178.8-60.9163.3000110.7L219 R220 N221L219-I224 HydrophobicContact CB-CD1 3.97Å; L219-I224 HydrophobicContact CD2-CD1 3.41Å; L219-I224 VanDerWaalsContact CD2-CD1 3.41Å; L219-I224 HydrophobicContact CD2-CG1 3.84Å; L219-I224 HydrophobicContact CG-CD1 4.3Å; R220-I224 WeakPolarHBondContact O-CG1 3.48Å; R220-I224 PolarHBondContact O-N 3.46Å; R220-I224 VanDerWaalsContact O-N 3.15Å; N221-I224 PolarHBondContact O-N 3.31Å
225F80.5Confident64.8Low155 Ų155121.2 Ų121.268%0.6867%0.674SS**SBendtrans-109.263.5-179.7-60.6-70.2000111.2N221 P227N221-F225 WeakPolarHBondContact O-CD2 3.47Å; N221-F225 PolarHBondContact O-N 3.21Å; F225-P227 WeakPolarHBondContact O-CD 3.41Å
226K77.3Confident63Low161 Ų161120.7 Ų120.770%0.767%0.673SS**  trans-66122.1169.1-68.8178.3-177.41760109.1K228K226-K228 PolarHBondContact O-N 3.16Å
227P71.6Confident61.3Low103 Ų103119.9 Ų119.967%0.66967%0.674SS**  trans-61.4129.5171.624.8-31.3000108.5F225 N229F225-P227 WeakPolarHBondContact O-CD 3.41Å; P227-N229 PolarHBondContact O-N 3.37Å
228K60.5Low60.1Low207 Ų207122.6 Ų122.690%0.970%0.697SS**SBendtrans-67.96.4-172.5-158.4170.4178175.80114.4K226K226-K228 PolarHBondContact O-N 3.16Å
229N60.6Low58.5Low144 Ų144129.7 Ų129.777%0.7770%0.703SS**SBendtrans-146.1109.7170.1-88-21.1000109P227 A231P227-N229 PolarHBondContact O-N 3.37Å; N229-A231 PolarHBondContact O-N 3.05Å; N229-A231 VanDerWaalsContact O-N 3.1Å
230P44.5Very low56.5Low119 Ų119132.6 Ų132.677%0.77372%0.719SS**  trans-7598.9166.330.5-28.9000107.5A232P230-A232 PolarHBondContact O-N 3.23Å
231A47.2Very low55.2Low96 Ų96131.5 Ų131.579%0.79373%0.73SS**  trans-60.9127.7151.900000106.2N229N229-A231 PolarHBondContact O-N 3.05Å; N229-A231 VanDerWaalsContact O-N 3.1Å
232A45.8Very low53.7Low76 Ų76133.8 Ų133.863%0.62874%0.737SS**  trans-42.8150.2-174.900000113.4P230 V234P230-A232 PolarHBondContact O-N 3.23Å; A232-V234 PolarHBondContact O-N 2.91Å
233P43.7Very low51.8Low123 Ų123133.5 Ų133.580%0.79974%0.74SS**  trans-68.2102.7-18028.9-30.8000108.7Q235P233-Q235 VanDerWaalsContact C-N 3.35Å; P233-Q235 PolarHBondContact O-N 3.38Å; P233-Q235 VanDerWaalsContact O-N 3.1Å
234V42.7Very low50.4Low132 Ų132133.3 Ų133.380%0.875%0.749SS**  trans-72.1100.5159.6-177.20000105.3A232 P236A232-V234 PolarHBondContact O-N 2.91Å; V234-P236 WeakPolarHBondContact O-CD 3.24Å
235Q39.4Very low48.6Very low173 Ų173138.7 Ų138.781%0.80877%0.77SS**PPolyproline II helixtrans-52.8123.2161.7-77.8178.416.500107.2P233P233-Q235 VanDerWaalsContact C-N 3.35Å; P233-Q235 PolarHBondContact O-N 3.38Å; P233-Q235 VanDerWaalsContact O-N 3.1Å
236P37.5Very low47.4Very low112 Ų112137.5 Ų137.573%0.72777%0.769SS**PPolyproline II helixtrans-65.4130.6172.525.4-29.2000107.7V234 A238V234-P236 WeakPolarHBondContact O-CD 3.24Å; P236-A238 PolarHBondContact O-N 3.19Å
237P39.5Very low46.3Very low86 Ų86135 Ų13556%0.55876%0.764SS**PPolyproline II helixtrans-59.4132.8167.625.8-31.4000107.3R239P237-R239 PolarHBondContact O-N 2.92Å
238A46.5Very low45.7Very low107 Ų107136.3 Ų136.388%0.88477%0.765SS**  trans-45.9113.5172.100000108.9P236P236-A238 PolarHBondContact O-N 3.19Å
239R38.5Very low45.6Very low215 Ų215130.9 Ų130.981%0.81175%0.746SS**  trans-140.5134.5172.7-76.1-159.4175.4122.41.6110.2P237P237-R239 PolarHBondContact O-N 2.92Å
240D38.3Very low45.6Very low159 Ų159129.8 Ų129.885%0.8574%0.74SS**  trans-48.3155.7-177.7-65.9-60.7000114.1Q242D240-Q242 PolarHBondContact O-N 3.39Å
241V45.6Very low46.4Very low141 Ų141130.4 Ų130.486%0.85574%0.736SS**SBendtrans-4197.5169-178.90000111.2
242Q42.4Very low47.2Very low163 Ų163133.2 Ų133.276%0.76273%0.726SS**  trans-169.599.5140.1-155.868.611.300108.8D240 P244D240-Q242 PolarHBondContact O-N 3.39Å; Q242-P244 WeakPolarHBondContact O-CD 3.38Å
243T34Very low48.5Very low131 Ų131135.9 Ų135.980%0.80474%0.737SS**  trans-69.7123.7171.340.50000109.6
244P43.7Very low49.9Very low114 Ų114138.8 Ų138.874%0.7474%0.737SS**  trans-74.1133.8164.830.3-29.5000108.1Q242 I246Q242-P244 WeakPolarHBondContact O-CD 3.38Å; P244-I246 PolarHBondContact O-N 2.9Å; P244-I246 VanDerWaalsContact O-N 3.12Å
245F40.7Very low51Low195 Ų195139.1 Ų139.186%0.85573%0.73SS**  trans-44.3117.3171.9-92.9-104.4000110.7N247F245-N247 PolarHBondContact O-N 3.03Å; F245-N247 VanDerWaalsContact O-N 3.09Å
246I54.7Low52.5Low131 Ų131135.6 Ų135.667%0.67272%0.722SS**  trans-63.3110.7164.2-51-74.9000105.6P244 N248P244-I246 PolarHBondContact O-N 2.9Å; P244-I246 VanDerWaalsContact O-N 3.12Å; I246-N248 PolarHBondContact O-N 3.38Å
247N54.7Low54.3Low108 Ų108137.4 Ų137.458%0.57873%0.731SS**  trans-65.9121.5172.9-71.3-47.2000107.9F245 N249 D250F245-N247 PolarHBondContact O-N 3.03Å; F245-N247 VanDerWaalsContact O-N 3.09Å; N247-N249 PolarHBondContact O-N 3.41Å; N247-D250 PolarHBondContact O-N 2.99Å
248N58.8Low55.8Low131 Ų131140.1 Ų140.170%0.70174%0.736SS**THydrogen-bonded Turntrans-57.80.6179.4-68.3-40.7000114.8I246I246-N248 PolarHBondContact O-N 3.38Å
249N59.7Low56.8Low93 Ų93141.5 Ų141.550%0.49772%0.722SS.*THydrogen-bonded Turntrans-80.2-18.6178.8-67.2-16000113.5N247 R252N247-N249 PolarHBondContact O-N 3.41Å; N249-R252 PolarHBondContact ND2-NH2 3.04Å; N249-R252 WeakPolarHBondContact O-CG 3.38Å; N249-R252 PolarHBondContact O-NE 3.29Å; N249-R252 PolarHBondContact OD1-NH2 3.36Å
250D60.3Low58.6Low121 Ų121138 Ų13865%0.64772%0.719SS**THydrogen-bonded Turntrans-87.1-8.1-179.7-66.2-39.8000113.5N247 R252N247-D250 PolarHBondContact O-N 2.99Å; D250-R252 VanDerWaalsContact C-N 3.32Å
251L61.3Low60.3Low132 Ų132135.2 Ų135.269%0.69171%0.708SS**THydrogen-bonded Turntrans-87.22.2172.2-77.4147000113.1
252R64.4Low61.6Low154 Ų154138 Ų13858%0.58171%0.708SS**SBendtrans-68.3137.8176.7-65.3-175.5-132.5-121.215109.6N249 D250 K254N249-R252 PolarHBondContact ND2-NH2 3.04Å; N249-R252 WeakPolarHBondContact O-CG 3.38Å; N249-R252 PolarHBondContact O-NE 3.29Å; N249-R252 PolarHBondContact OD1-NH2 3.36Å; D250-R252 VanDerWaalsContact C-N 3.32Å; R252-K254 PolarHBondContact O-N 3.38Å
253P72.5Confident62.9Low132 Ų132132.6 Ų132.686%0.85769%0.692SS**  trans-52.3111.4171.6-23.632.1000109.6Q255P253-Q255 PolarHBondContact O-N 3.06Å
254K72.4Confident64.8Low184 Ų184128.8 Ų128.880%0.868%0.678SS**PPolyproline II helixtrans-69130174.2-74.5176.2-179.9170.40107.7R252R252-K254 PolarHBondContact O-N 3.38Å
255Q66.9Low66Low140 Ų140129.4 Ų129.465%0.65467%0.673SS**PPolyproline II helixtrans-57.9144.2174.9-74-169.2-30.500110.1P253 V257P253-Q255 PolarHBondContact O-N 3.06Å; Q255-V257 PolarHBondContact O-N 3.43Å
256P71Confident67.6Low98 Ų98129.9 Ų129.964%0.63667%0.671SS**PPolyproline II helixtrans-59.3134.2176.122.6-30.8000109.9Q258 K259P256-Q258 PolarHBondContact O-N 3.47Å; P256-K259 PolarHBondContact O-N 3.39Å
257V74Confident68.7Low151 Ų151126.2 Ų126.292%0.91565%0.653SS**THydrogen-bonded Turntrans-55.9-26.7-177.6-179.90000111.7Q255Q255-V257 PolarHBondContact O-N 3.43Å
258Q71.3Confident69.9Low143 Ų143125.8 Ų125.867%0.66866%0.656SS**THydrogen-bonded Turntrans-100.330.4-175.6-63.8-178.1-7.100114.1P256 N260 V261P256-Q258 PolarHBondContact O-N 3.47Å; Q258-N260 PolarHBondContact O-N 3.13Å; Q258-V261 HydrophobicContact CB-CB 4.12Å; Q258-V261 HydrophobicContact CB-CG2 3.89Å; Q258-V261 HydrophobicContact CG-CG2 4.18Å; Q258-V261 PolarHBondContact O-N 3.37Å
259K68.4Low70.8Confident136 Ų136125.7 Ų125.759%0.59166%0.655SS**THydrogen-bonded Turntrans-54.9-22.3-177.265.6175-179.8-175.20115.9P256P256-K259 PolarHBondContact O-N 3.39Å
260N75.9Confident71.5Confident140 Ų140126.5 Ų126.575%0.74965%0.652SS**THydrogen-bonded Turntrans-108.30.9-178.3-64.3-17.7000113.5Q258 K262Q258-N260 PolarHBondContact O-N 3.13Å; N260-K262 PolarHBondContact O-N 3.08Å
261V73.6Confident72.3Confident101 Ų101127.2 Ų127.261%0.61265%0.651SS**  trans-85.8114.3-179.4-1760000108Q258Q258-V261 HydrophobicContact CB-CB 4.12Å; Q258-V261 HydrophobicContact CB-CG2 3.89Å; Q258-V261 HydrophobicContact CG-CG2 4.18Å; Q258-V261 PolarHBondContact O-N 3.37Å
262K72.3Confident72.7Confident199 Ų199126.7 Ų126.787%0.86565%0.654SS**PPolyproline II helixtrans-73.9131.3171.1-67.5-179180178.60108.5N260N260-K262 PolarHBondContact O-N 3.08Å
263A69.9Low73Confident51 Ų51123.8 Ų123.842%0.42165%0.649SS.*PPolyproline II helixtrans-59.5144.5170.600000110D267 Y270A263-D267 HydrophobicContact CB-CB 4.27Å; A263-Y270 HydrophobicContact CB-CD2 3.39Å; A263-Y270 HydrophobicContact CB-CE2 3.73Å; A263-Y270 HydrophobicContact CB-CG 3.92Å
264G75.1Confident72.7Confident50 Ų50120 Ų12052%0.51563%0.629SS.*PPolyproline II helixtrans-67.3156.2174.200000111.3Y266 D267G264-Y266 PolarHBondContact O-N 3.28Å; G264-D267 PolarHBondContact O-N 2.92Å; G264-D267 VanDerWaalsContact O-N 3.14Å
265M67.6Low72.6Confident128 Ų128114.7 Ų114.763%0.63163%0.627SS**THydrogen-bonded Turntrans-53.7-24.3179.2-174.364.8-171.800113.7
266Y74.5Confident73Confident204 Ų204112.8 Ų112.880%0.862%0.62SS**THydrogen-bonded Turntrans-123.428.1-177.3-55.9-69.3000113.4G264 P268G264-Y266 PolarHBondContact O-N 3.28Å; Y266-P268 VanDerWaalsContact O-CD 3.31Å; Y266-P268 WeakPolarHBondContact O-CD 3.45Å
267D78.6Confident72.9Confident55 Ų55113.8 Ų113.829%0.29462%0.621SS.*  trans-63.9120.6174.5-171.6-31.4000110.3A263 G264 N269 Y270 Q271A263-D267 HydrophobicContact CB-CB 4.27Å; G264-D267 PolarHBondContact O-N 2.92Å; G264-D267 VanDerWaalsContact O-N 3.14Å; D267-N269 PolarHBondContact O-N 3.46Å; D267-N269 VanDerWaalsContact O-N 3.08Å; D267-N269 WeakPolarHBondContact OD1-CB 3.36Å; D267-N269 PolarHBondContact OD1-N 3.09Å; D267-Y270 HydrophobicContact CB-CD2 3.97Å; D267-Y270 CarbonylContact O-C 3.54Å; D267-Y270 PolarHBondContact O-N 3.43Å; D267-Y270 WeakPolarHBondContact OD2-CD2 3.41Å; D267-Q271 PolarHBondContact O-N 3.47Å
268P79.6Confident72.7Confident99 Ų99115.7 Ų115.764%0.64362%0.619SS**G310 helixtrans-53.8-28.9178.2-26.335.3000114.2Y266 Y270 Q271Y266-P268 VanDerWaalsContact O-CD 3.31Å; Y266-P268 WeakPolarHBondContact O-CD 3.45Å; P268-Y270 VanDerWaalsContact C-N 3.32Å; P268-Q271 WeakPolarHBondContact O-CG 3.48Å
269N78.3Confident72.6Confident128 Ų128113 Ų11368%0.68461%0.61SS**G310 helixtrans-81.1-11.5-179.5-160.229.8000113.4D267D267-N269 PolarHBondContact O-N 3.46Å; D267-N269 VanDerWaalsContact O-N 3.08Å; D267-N269 WeakPolarHBondContact OD1-CB 3.36Å; D267-N269 PolarHBondContact OD1-N 3.09Å
270Y73.4Confident72.6Confident110 Ų110111.2 Ų111.243%0.43161%0.605SS.*G310 helixtrans-125.221.8179.8-62.1-81000112.9A263 D267 P268 T272 L273A263-Y270 HydrophobicContact CB-CD2 3.39Å; A263-Y270 HydrophobicContact CB-CE2 3.73Å; A263-Y270 HydrophobicContact CB-CG 3.92Å; D267-Y270 HydrophobicContact CB-CD2 3.97Å; D267-Y270 CarbonylContact O-C 3.54Å; D267-Y270 PolarHBondContact O-N 3.43Å; D267-Y270 WeakPolarHBondContact OD2-CD2 3.41Å; P268-Y270 VanDerWaalsContact C-N 3.32Å; Y270-T272 PolarHBondContact O-N 3.36Å; Y270-T272 VanDerWaalsContact O-N 3.12Å; Y270-L273 HydrophobicContact CD1-CD1 3.78Å; Y270-L273 WeakPolarHBondContact O-CB 3.35Å; Y270-L273 PolarHBondContact O-N 3.04Å
271Q77.3Confident72.2Confident136 Ų136111.5 Ų111.564%0.63660%0.601SS**G310 helixtrans-54.7-32.5179.1-73.8-179.84.900113.3D267 P268 L273 A274D267-Q271 PolarHBondContact O-N 3.47Å; P268-Q271 WeakPolarHBondContact O-CG 3.48Å; Q271-L273 PolarHBondContact O-N 3.01Å; Q271-A274 PolarHBondContact O-N 3.49Å
272T70.8Confident71.8Confident122 Ų122108.3 Ų108.375%0.74859%0.588SS**G310 helixtrans-67-17.5178.355.30000113.4Y270Y270-T272 PolarHBondContact O-N 3.36Å; Y270-T272 VanDerWaalsContact O-N 3.12Å
273L69.7Low71.6Confident92 Ų92102.6 Ų102.648%0.48258%0.578SS.*G310 helixtrans-95.6-14.1179.1-54.4-179.4000112.8Y270 Q271 G275 L276Y270-L273 HydrophobicContact CD1-CD1 3.78Å; Y270-L273 WeakPolarHBondContact O-CB 3.35Å; Y270-L273 PolarHBondContact O-N 3.04Å; Q271-L273 PolarHBondContact O-N 3.01Å; L273-G275 PolarHBondContact O-N 2.97Å; L273-L276 HydrophobicContact CB-CD1 4.41Å; L273-L276 HydrophobicContact CD2-CD1 3.47Å; L273-L276 VanDerWaalsContact CD2-CD1 3.47Å; L273-L276 HydrophobicContact CD2-CG 4.45Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-L276 VanDerWaalsContact O-N 3.14Å
274A67.2Low71.5Confident52 Ų52106.2 Ų106.243%0.4359%0.59SS.*THydrogen-bonded Turntrans-66.3-18-178.100000113.6Q271Q271-A274 PolarHBondContact O-N 3.49Å
275G69.2Low71Confident73 Ų73110.9 Ų110.975%0.75360%0.596SS**THydrogen-bonded Turntrans-100.6-0.3175.900000115L273 N277L273-G275 PolarHBondContact O-N 2.97Å; G275-N277 PolarHBondContact O-N 3.43Å
276L74.8Confident70.8Confident100 Ų100110.8 Ų110.852%0.52459%0.592SS.*  trans-76.6115.6177.7-66.7-176.7000109.6L273 I280L273-L276 HydrophobicContact CB-CD1 4.41Å; L273-L276 HydrophobicContact CD2-CD1 3.47Å; L273-L276 VanDerWaalsContact CD2-CD1 3.47Å; L273-L276 HydrophobicContact CD2-CG 4.45Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-L276 VanDerWaalsContact O-N 3.14Å; L276-I280 HydrophobicContact CB-CD1 4.11Å; L276-I280 HydrophobicContact CD2-CD1 3.7Å; L276-I280 HydrophobicContact CG-CD1 4.36Å
277N70Confident70.2Confident120 Ų120109.5 Ų109.564%0.64259%0.591SS**  trans-61.1136.6177.8-166.5-24.7000110.1G275 D279 I280G275-N277 PolarHBondContact O-N 3.43Å; N277-D279 PolarHBondContact O-N 3.5Å; N277-D279 PolarHBondContact OD1-N 3.24Å; N277-I280 PolarHBondContact O-N 3.44Å; N277-I280 VanDerWaalsContact O-N 3.11Å
278Q68.4Low69.2Low190 Ų190114.9 Ų114.989%0.88862%0.62SS**G310 helixtrans-60.7-15.8178.6-66.1-159.4-7.400113.1
279D69.9Low67.9Low88 Ų88124.2 Ų124.247%0.47164%0.644SS.*G310 helixtrans-90.614.2178.1-119.20.8000114.6N277 F281 K286N277-D279 PolarHBondContact O-N 3.5Å; N277-D279 PolarHBondContact OD1-N 3.24Å; D279-F281 PolarHBondContact O-N 3.07Å; D279-K286 WeakPolarHBondContact OD1-CE 3.4Å; D279-K286 IonicContact OD1-NZ 2.66Å; D279-K286 PolarHBondContact OD1-NZ 3.3Å; D279-K286 IonicContact OD2-NZ 3.67Å
280I69.1Low67.3Low97 Ų97124.1 Ų124.150%0.49764%0.642SS.*G310 helixtrans-59.7-28.6173.9-105.3166.6000112.5L276 N277L276-I280 HydrophobicContact CB-CD1 4.11Å; L276-I280 HydrophobicContact CD2-CD1 3.7Å; L276-I280 HydrophobicContact CG-CD1 4.36Å; N277-I280 PolarHBondContact O-N 3.44Å; N277-I280 VanDerWaalsContact O-N 3.11Å
281F66.6Low67Low147 Ų147124.8 Ų124.865%0.64565%0.653SS**SBendtrans-94.7111.5170.4-54.5-70.1000106.6D279 K285D279-F281 PolarHBondContact O-N 3.07Å; F281-K285 HydrophobicContact CB-CB 4.22Å; F281-K285 HydrophobicContact CB-CG 4.33Å
282G65.3Low66.5Low34 Ų34124.2 Ų124.235%0.35165%0.654SS.*  trans-47.8161-17700000113.6D284 K285G282-D284 WeakPolarHBondContact CA-OD1 3.49Å; G282-D284 PolarHBondContact O-N 3.21Å; G282-D284 VanDerWaalsContact O-OD1 3.08Å; G282-K285 PolarHBondContact O-N 2.71Å
283A67.9Low66.2Low79 Ų79124.3 Ų124.365%0.65365%0.649SS**G310 helixtrans-53.2-20.7-176.700000113.9K285 K286A283-K285 PolarHBondContact O-N 3.37Å; A283-K286 PolarHBondContact O-N 3.47Å
284D68Low66Low127 Ų127126.3 Ų126.368%0.67966%0.659SS**G310 helixtrans-64.5-19176.468.6-51.7000114.3G282G282-D284 WeakPolarHBondContact CA-OD1 3.49Å; G282-D284 PolarHBondContact O-N 3.21Å; G282-D284 VanDerWaalsContact O-OD1 3.08Å
285K64.6Low65.9Low148 Ų148131.3 Ų131.364%0.64367%0.674SS**G310 helixtrans-96.6-4-178.8-62.3-80.5-175.8171.80114F281 G282 A283 K287F281-K285 HydrophobicContact CB-CB 4.22Å; F281-K285 HydrophobicContact CB-CG 4.33Å; G282-K285 PolarHBondContact O-N 2.71Å; A283-K285 PolarHBondContact O-N 3.37Å; K285-K287 PolarHBondContact O-N 2.99Å
286K64.6Low65.7Low126 Ų126135.4 Ų135.455%0.54867%0.669SS.*  trans-79.748.2-178.6-60.6-177-176.7176.50112.8D279 A283 N288D279-K286 WeakPolarHBondContact OD1-CE 3.4Å; D279-K286 IonicContact OD1-NZ 2.66Å; D279-K286 PolarHBondContact OD1-NZ 3.3Å; D279-K286 IonicContact OD2-NZ 3.67Å; A283-K286 PolarHBondContact O-N 3.47Å; K286-N288 PolarHBondContact O-N 2.88Å
287K61.5Low65Low177 Ų177138.2 Ų138.277%0.7768%0.68SS**  trans-73.4120168.8-84.1-174.7177.2-178.80108.8K285 Y289K285-K287 PolarHBondContact O-N 2.99Å; K287-Y289 WeakPolarHBondContact O-CD2 3.45Å; K287-Y289 PolarHBondContact O-N 3.03Å
288N57.7Low64.5Low168 Ų168139.7 Ų139.790%0.89868%0.683SS**  trans-45.8113.4179.8-59.4-27.8000111.6K286K286-N288 PolarHBondContact O-N 2.88Å
289Y51Low64.2Low295 Ų295135.1 Ų135.1100%1.15767%0.665SS**  trans-104.20157.8-79.3-82.9000108.4K287K287-Y289 WeakPolarHBondContact O-CD2 3.45Å; K287-Y289 PolarHBondContact O-N 3.03Å

Retrieved 289 of 289 residues in 146.7 ms (Link to these results)