A0A5K4F4I3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4I3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 79 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
1M58.2Low70Confident213 Ų213134.6 Ų134.6100%1.04966%0.656SS**  0-36.20-75.2-176.2-176.400114.7N3 I4M1-N3 PolarHBondContact O-N 2.85Å; M1-I4 PolarHBondContact O-N 3.18Å
2K69.3Low70Confident177 Ų177136.1 Ų136.177%0.7765%0.651SS**Hα-helixtrans-52.4-40-178.5-81.8-179.1174178.90115.7I4 V5 N6K2-I4 PolarHBondContact O-N 3.44Å; K2-V5 PolarHBondContact O-N 3.45Å; K2-N6 PolarHBondContact O-N 2.66Å
3N70.6Confident69.9Low138 Ų138128.9 Ų128.974%0.73863%0.629SS**Hα-helixtrans-66-31.4-177.7-85.67.4000114.9M1 R7M1-N3 PolarHBondContact O-N 2.85Å; N3-R7 WeakPolarHBondContact O-CB 3.39Å; N3-R7 PolarHBondContact O-N 3.09Å; N3-R7 VanDerWaalsContact O-N 3.16Å
4I76.5Confident70.1Confident120 Ų120125.6 Ų125.662%0.61562%0.619SS**Hα-helixtrans-72.9-43.3-178.7-62.9173.2000109.7M1 K2 R7 L8M1-I4 PolarHBondContact O-N 3.18Å; K2-I4 PolarHBondContact O-N 3.44Å; I4-R7 PolarHBondContact O-N 3Å; I4-L8 HydrophobicContact CG2-CD1 4.2Å; I4-L8 WeakPolarHBondContact O-CG 3.45Å; I4-L8 PolarHBondContact O-N 3.19Å
5V72.8Confident69.9Low91 Ų91126.6 Ų126.655%0.55262%0.615SS**Hα-helixtrans-61.4-46.8177.7-179.30000110.7K2 R7 L8 F9K2-V5 PolarHBondContact O-N 3.45Å; V5-R7 VanDerWaalsContact C-N 3.31Å; V5-R7 PolarHBondContact O-N 3.34Å; V5-L8 PolarHBondContact O-N 2.97Å; V5-F9 WeakPolarHBondContact O-CB 3.49Å; V5-F9 PolarHBondContact O-N 3.37Å
6N72Confident69.9Low104 Ų104124.5 Ų124.556%0.55661%0.606SS**Hα-helixtrans-61.1-40.1178.1-73.1-0.4000112.3K2 L8 F9 S10K2-N6 PolarHBondContact O-N 2.66Å; N6-L8 VanDerWaalsContact C-N 3.35Å; N6-F9 PolarHBondContact O-N 2.92Å; N6-S10 WeakPolarHBondContact O-CB 3.47Å; N6-S10 PolarHBondContact O-N 3.27Å
7R71.1Confident69.6Low184 Ų184121.5 Ų121.569%0.69460%0.6SS**Hα-helixtrans-68.2-34.8178.7-161.5173.8-173.3-177.41.8112.2N3 I4 V5 K11N3-R7 WeakPolarHBondContact O-CB 3.39Å; N3-R7 PolarHBondContact O-N 3.09Å; N3-R7 VanDerWaalsContact O-N 3.16Å; I4-R7 PolarHBondContact O-N 3Å; V5-R7 VanDerWaalsContact C-N 3.31Å; V5-R7 PolarHBondContact O-N 3.34Å; R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 3.4Å
8L71.5Confident69.4Low89 Ų89119.6 Ų119.647%0.46659%0.591SS.*Hα-helixtrans-68.5-47.5172.4-73169.4000111I4 V5 N6 S10 K11 Y12I4-L8 HydrophobicContact CG2-CD1 4.2Å; I4-L8 WeakPolarHBondContact O-CG 3.45Å; I4-L8 PolarHBondContact O-N 3.19Å; V5-L8 PolarHBondContact O-N 2.97Å; N6-L8 VanDerWaalsContact C-N 3.35Å; L8-S10 VanDerWaalsContact C-N 3.32Å; L8-S10 PolarHBondContact O-N 2.88Å; L8-K11 WeakPolarHBondContact O-CB 3.4Å; L8-K11 PolarHBondContact O-N 3.34Å; L8-K11 VanDerWaalsContact O-N 3.1Å; L8-Y12 WeakPolarHBondContact O-CD2 3.32Å; L8-Y12 PolarHBondContact O-N 3.15Å
9F68.3Low69Low157 Ų157117.4 Ų117.469%0.68958%0.582SS**Hα-helixtrans-58.7-43.8179.7-162-90.5000111.9V5 N6 K11 Y12 A13V5-F9 WeakPolarHBondContact O-CB 3.49Å; V5-F9 PolarHBondContact O-N 3.37Å; N6-F9 PolarHBondContact O-N 2.92Å; F9-K11 PolarHBondContact O-N 2.96Å; F9-Y12 PolarHBondContact O-N 3.43Å; F9-A13 WeakPolarHBondContact O-CB 3.43Å; F9-A13 PolarHBondContact O-N 2.79Å
10S70Confident68.6Low71 Ų71116.3 Ų116.350%0.49758%0.578SS.*Hα-helixtrans-60.4-42.3175177.60000112.3N6 L8 A13 V14N6-S10 WeakPolarHBondContact O-CB 3.47Å; N6-S10 PolarHBondContact O-N 3.27Å; L8-S10 VanDerWaalsContact C-N 3.32Å; L8-S10 PolarHBondContact O-N 2.88Å; S10-A13 PolarHBondContact O-N 2.8Å; S10-V14 WeakPolarHBondContact O-CG2 3.42Å; S10-V14 PolarHBondContact O-N 3Å; S10-V14 VanDerWaalsContact O-N 3.07Å
11K69.9Low68.2Low137 Ų137115.3 Ų115.360%0.59658%0.575SS**Hα-helixtrans-63.6-42.2175.1-76.3-178.1176.5-170.60112.5R7 L8 F9 V14 Y15R7-K11 WeakPolarHBondContact O-CG 3.45Å; R7-K11 PolarHBondContact O-N 3.4Å; L8-K11 WeakPolarHBondContact O-CB 3.4Å; L8-K11 PolarHBondContact O-N 3.34Å; L8-K11 VanDerWaalsContact O-N 3.1Å; F9-K11 PolarHBondContact O-N 2.96Å; K11-V14 PolarHBondContact O-N 3.42Å; K11-Y15 WeakPolarHBondContact O-CB 3.42Å; K11-Y15 PolarHBondContact O-N 3.42Å
12Y70Confident68.4Low152 Ų152110.2 Ų110.260%0.59655%0.551SS**Hα-helixtrans-65.1-41.7177.2-80.9-71.3000112L8 F9 Y15 I16L8-Y12 WeakPolarHBondContact O-CD2 3.32Å; L8-Y12 PolarHBondContact O-N 3.15Å; F9-Y12 PolarHBondContact O-N 3.43Å; Y12-Y15 PolarHBondContact O-N 2.87Å; Y12-I16 VanDerWaalsContact O-CG1 3.29Å; Y12-I16 WeakPolarHBondContact O-CG1 3.31Å; Y12-I16 PolarHBondContact O-N 3.3Å
13A69Low68Low43 Ų43104.2 Ų104.236%0.35553%0.532SS..Hα-helixtrans-60.4-47.2176.700000111.5F9 S10 Y15 I16 C17F9-A13 WeakPolarHBondContact O-CB 3.43Å; F9-A13 PolarHBondContact O-N 2.79Å; S10-A13 PolarHBondContact O-N 2.8Å; A13-Y15 VanDerWaalsContact C-N 3.33Å; A13-Y15 PolarHBondContact O-N 3.48Å; A13-I16 PolarHBondContact O-N 3.02Å; A13-C17 PolarHBondContact O-N 2.85Å; A13-C17 PolarHBondContact O-SG 2.96Å
14V71.6Confident67.5Low82 Ų82100.6 Ų100.650%0.49751%0.512SS..Hα-helixtrans-60.2-43.5176.3172.80000111.2S10 K11 I16 C17 I18S10-V14 WeakPolarHBondContact O-CG2 3.42Å; S10-V14 PolarHBondContact O-N 3Å; S10-V14 VanDerWaalsContact O-N 3.07Å; K11-V14 PolarHBondContact O-N 3.42Å; V14-I16 PolarHBondContact O-N 3.5Å; V14-C17 PolarHBondContact O-N 3.4Å; V14-I18 HydrophobicContact CG1-CD1 3.84Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 3.23Å
15Y68.5Low66.8Low141 Ų14199.3 Ų99.355%0.55351%0.509SS*.Hα-helixtrans-62.9-41.8178.4-176-104.7000112.7K11 Y12 A13 I18 L19K11-Y15 WeakPolarHBondContact O-CB 3.42Å; K11-Y15 PolarHBondContact O-N 3.42Å; Y12-Y15 PolarHBondContact O-N 2.87Å; A13-Y15 VanDerWaalsContact C-N 3.33Å; A13-Y15 PolarHBondContact O-N 3.48Å; Y15-I18 PolarHBondContact O-N 3.41Å; Y15-L19 HydrophobicContact CD1-CD1 3.75Å; Y15-L19 HydrophobicContact CD1-CG 4.41Å; Y15-L19 HydrophobicContact CE1-CD1 3.24Å; Y15-L19 HydrophobicContact CE1-CG 4.04Å; Y15-L19 WeakPolarHBondContact O-CG 3.48Å; Y15-L19 PolarHBondContact O-N 2.92Å
16I69.9Low66.2Low93 Ų9398 Ų9848%0.47750%0.504SS..Hα-helixtrans-65-41.3177-69.1166.2000111.1Y12 A13 V14 L19 N20Y12-I16 VanDerWaalsContact O-CG1 3.29Å; Y12-I16 WeakPolarHBondContact O-CG1 3.31Å; Y12-I16 PolarHBondContact O-N 3.3Å; A13-I16 PolarHBondContact O-N 3.02Å; V14-I16 PolarHBondContact O-N 3.5Å; I16-L19 PolarHBondContact O-N 2.85Å; I16-N20 PolarHBondContact O-N 3.34Å
17C63.7Low65.7Low73 Ų7399.9 Ų99.949%0.49351%0.507SS..Hα-helixtrans-60.8-48.4175.1-71.80000111.7A13 V14 L19 N20 D21A13-C17 PolarHBondContact O-N 2.85Å; A13-C17 PolarHBondContact O-SG 2.96Å; V14-C17 PolarHBondContact O-N 3.4Å; C17-L19 VanDerWaalsContact C-N 3.31Å; C17-L19 PolarHBondContact O-N 3.38Å; C17-N20 WeakPolarHBondContact O-CB 3.32Å; C17-N20 PolarHBondContact O-N 2.91Å; C17-N20 VanDerWaalsContact O-N 3.12Å; C17-D21 PolarHBondContact O-N 3.18Å
18I65.8Low65.5Low87 Ų8794.2 Ų94.245%0.44649%0.493SS..Hα-helixtrans-60-42.1178.5-66.3166.6000111.2V14 Y15 D21 L22V14-I18 HydrophobicContact CG1-CD1 3.84Å; V14-I18 WeakPolarHBondContact O-CG1 3.38Å; V14-I18 PolarHBondContact O-N 3.23Å; Y15-I18 PolarHBondContact O-N 3.41Å; I18-D21 PolarHBondContact O-N 3.49Å; I18-L22 HydrophobicContact CG2-CD1 3.94Å; I18-L22 HydrophobicContact CG2-CG 4.42Å; I18-L22 WeakPolarHBondContact O-CB 3.17Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 2.97Å
19L62.6Low64.8Low79 Ų7993 Ų9341%0.41449%0.492SS..Hα-helixtrans-63.8-39.4176.6-80.7177000112.6Y15 I16 C17 S23Y15-L19 HydrophobicContact CD1-CD1 3.75Å; Y15-L19 HydrophobicContact CD1-CG 4.41Å; Y15-L19 HydrophobicContact CE1-CD1 3.24Å; Y15-L19 HydrophobicContact CE1-CG 4.04Å; Y15-L19 WeakPolarHBondContact O-CG 3.48Å; Y15-L19 PolarHBondContact O-N 2.92Å; I16-L19 PolarHBondContact O-N 2.85Å; C17-L19 VanDerWaalsContact C-N 3.31Å; C17-L19 PolarHBondContact O-N 3.38Å; L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.29Å; L19-S23 PolarHBondContact O-N 2.88Å
20N60.8Low64.3Low94 Ų9490.4 Ų90.450%0.50349%0.485SS..Hα-helixtrans-64.8-45.3175.3-80.5-19.7000111.2I16 C17 L22 S23 I24I16-N20 PolarHBondContact O-N 3.34Å; C17-N20 WeakPolarHBondContact O-CB 3.32Å; C17-N20 PolarHBondContact O-N 2.91Å; C17-N20 VanDerWaalsContact O-N 3.12Å; N20-L22 PolarHBondContact O-N 3.44Å; N20-S23 WeakPolarHBondContact O-CB 3.45Å; N20-S23 PolarHBondContact O-N 3.2Å; N20-I24 WeakPolarHBondContact O-CD1 3.37Å; N20-I24 VanDerWaalsContact O-CG1 3.24Å; N20-I24 WeakPolarHBondContact O-CG1 3.39Å; N20-I24 PolarHBondContact O-N 3.37Å
21D61.1Low64Low96 Ų9691 Ų9151%0.51348%0.479SS..Hα-helixtrans-61.5-45178.2-68-17.9000111.1C17 I18 S23 I24 V25C17-D21 PolarHBondContact O-N 3.18Å; I18-D21 PolarHBondContact O-N 3.49Å; D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact O-N 3.47Å; D21-I24 PolarHBondContact O-N 3.41Å; D21-V25 VanDerWaalsContact O-CG2 3.31Å; D21-V25 WeakPolarHBondContact O-CG2 3.31Å; D21-V25 PolarHBondContact O-N 2.84Å
22L60.7Low63.5Low106 Ų10689.4 Ų89.456%0.55547%0.473SS*.Hα-helixtrans-63-39.1175.3-74.5171000112.6I18 N20 I24 V25 S26I18-L22 HydrophobicContact CG2-CD1 3.94Å; I18-L22 HydrophobicContact CG2-CG 4.42Å; I18-L22 WeakPolarHBondContact O-CB 3.17Å; I18-L22 WeakPolarHBondContact O-CG 3.26Å; I18-L22 PolarHBondContact O-N 2.97Å; N20-L22 PolarHBondContact O-N 3.44Å; L22-I24 VanDerWaalsContact C-N 3.34Å; L22-V25 PolarHBondContact O-N 3Å; L22-S26 VanDerWaalsContact O-CB 3.32Å; L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 3.11Å
23S62.2Low62.8Low52 Ų5286.6 Ų86.636%0.36447%0.472SS..Hα-helixtrans-63.9-40.4175.2-174.60000111.4L19 N20 D21 S26 K27L19-S23 VanDerWaalsContact O-CB 3.29Å; L19-S23 WeakPolarHBondContact O-CB 3.29Å; L19-S23 PolarHBondContact O-N 2.88Å; N20-S23 WeakPolarHBondContact O-CB 3.45Å; N20-S23 PolarHBondContact O-N 3.2Å; D21-S23 VanDerWaalsContact C-N 3.34Å; D21-S23 PolarHBondContact O-N 3.47Å; S23-S26 PolarHBondContact O-N 3.41Å; S23-K27 WeakPolarHBondContact O-CB 3.34Å; S23-K27 VanDerWaalsContact O-CG 3.27Å; S23-K27 WeakPolarHBondContact O-CG 3.31Å; S23-K27 PolarHBondContact O-N 3.08Å
24I60.4Low62.3Low61 Ų6189.5 Ų89.531%0.31348%0.481SS..Hα-helixtrans-64.8-48.5175.2-67.1162.1000110.1N20 D21 L22 S26 K27 V28N20-I24 WeakPolarHBondContact O-CD1 3.37Å; N20-I24 VanDerWaalsContact O-CG1 3.24Å; N20-I24 WeakPolarHBondContact O-CG1 3.39Å; N20-I24 PolarHBondContact O-N 3.37Å; D21-I24 PolarHBondContact O-N 3.41Å; L22-I24 VanDerWaalsContact C-N 3.34Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 2.87Å; I24-K27 PolarHBondContact O-N 2.95Å; I24-V28 HydrophobicContact CG2-CG2 4.39Å; I24-V28 WeakPolarHBondContact O-CG2 3.27Å; I24-V28 PolarHBondContact O-N 3.22Å
25V62Low61.5Low94 Ų9486.1 Ų86.157%0.5746%0.46SS*.Hα-helixtrans-60.1-42.8177.9172.30000111.2D21 L22 K27 V28 S29D21-V25 VanDerWaalsContact O-CG2 3.31Å; D21-V25 WeakPolarHBondContact O-CG2 3.31Å; D21-V25 PolarHBondContact O-N 2.84Å; L22-V25 PolarHBondContact O-N 3Å; V25-K27 PolarHBondContact O-N 3.43Å; V25-V28 PolarHBondContact O-N 2.88Å; V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.46Å; V25-S29 PolarHBondContact O-N 3Å
26S59.6Low60.9Low62 Ų6282.9 Ų82.943%0.43445%0.452SS..Hα-helixtrans-62.8-41.6176.3-1780000112L22 S23 I24 S29 N30L22-S26 VanDerWaalsContact O-CB 3.32Å; L22-S26 WeakPolarHBondContact O-CB 3.47Å; L22-S26 PolarHBondContact O-N 3.11Å; S23-S26 PolarHBondContact O-N 3.41Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 2.87Å; S26-S29 PolarHBondContact O-N 3.37Å; S26-N30 WeakPolarHBondContact O-CB 3.44Å; S26-N30 PolarHBondContact O-N 2.93Å
27K61.6Low60.2Low144 Ų14485.7 Ų85.763%0.62646%0.462SS*.Hα-helixtrans-64.1-44.7175.2-75.3172.3-177176.70111.9S23 I24 V25 F31S23-K27 WeakPolarHBondContact O-CB 3.34Å; S23-K27 VanDerWaalsContact O-CG 3.27Å; S23-K27 WeakPolarHBondContact O-CG 3.31Å; S23-K27 PolarHBondContact O-N 3.08Å; I24-K27 PolarHBondContact O-N 2.95Å; V25-K27 PolarHBondContact O-N 3.43Å; K27-F31 WeakPolarHBondContact O-CB 3.49Å; K27-F31 PolarHBondContact O-N 2.93Å
28V65.6Low59.5Low65 Ų6587.2 Ų87.239%0.39446%0.46SS..Hα-helixtrans-64-43177.6173.70000110.5I24 V25 F31 H32I24-V28 HydrophobicContact CG2-CG2 4.39Å; I24-V28 WeakPolarHBondContact O-CG2 3.27Å; I24-V28 PolarHBondContact O-N 3.22Å; V25-V28 PolarHBondContact O-N 2.88Å; V28-F31 PolarHBondContact O-N 3.44Å; V28-H32 WeakPolarHBondContact O-CB 3.29Å; V28-H32 PolarHBondContact O-N 3.2Å
29S57.1Low58.6Low65 Ų6586.3 Ų86.346%0.45545%0.454SS..Hα-helixtrans-62.9-50.8178.2-177.10000111.9V25 S26 F31 H32 V33V25-S29 VanDerWaalsContact O-CB 3.29Å; V25-S29 WeakPolarHBondContact O-CB 3.46Å; V25-S29 PolarHBondContact O-N 3Å; S26-S29 PolarHBondContact O-N 3.37Å; S29-F31 VanDerWaalsContact C-N 3.29Å; S29-F31 PolarHBondContact O-N 3.19Å; S29-H32 PolarHBondContact O-N 3.4Å; S29-H32 VanDerWaalsContact O-N 3.15Å; S29-V33 WeakPolarHBondContact O-CG2 3.21Å; S29-V33 PolarHBondContact O-N 2.66Å
30N58.9Low58.1Low102 Ų10288.3 Ų88.355%0.54547%0.469SS..Hα-helixtrans-61.4-40.3177.2-78.1-17.5000111.6S26 V33 L34S26-N30 WeakPolarHBondContact O-CB 3.44Å; S26-N30 PolarHBondContact O-N 2.93Å; N30-V33 PolarHBondContact O-N 3.35Å; N30-L34 WeakPolarHBondContact O-CB 3.49Å; N30-L34 PolarHBondContact O-N 2.86Å
31F63.3Low57.7Low83 Ų8388.7 Ų88.736%0.36448%0.478SS..Hα-helixtrans-62.8-43.7175.9-173.8-86.8000111.3K27 V28 S29 L34 L35 V54K27-F31 WeakPolarHBondContact O-CB 3.49Å; K27-F31 PolarHBondContact O-N 2.93Å; V28-F31 PolarHBondContact O-N 3.44Å; S29-F31 VanDerWaalsContact C-N 3.29Å; S29-F31 PolarHBondContact O-N 3.19Å; F31-L34 PolarHBondContact O-N 2.89Å; F31-L35 HydrophobicContact CE1-CB 4.33Å; F31-L35 HydrophobicContact CE1-CD1 3.61Å; F31-L35 HydrophobicContact CE1-CD2 4.35Å; F31-L35 HydrophobicContact CE1-CG 4.31Å; F31-L35 HydrophobicContact CZ-CD1 3.73Å; F31-L35 VanDerWaalsContact O-CB 3.31Å; F31-L35 WeakPolarHBondContact O-CB 3.43Å; F31-L35 PolarHBondContact O-N 3.29Å; F31-V54 HydrophobicContact CD1-CG1 3.91Å; F31-V54 HydrophobicContact CD1-CG2 3.96Å; F31-V54 HydrophobicContact CE1-CB 3.94Å; F31-V54 HydrophobicContact CE1-CG1 3.84Å; F31-V54 HydrophobicContact CE1-CG2 3.06Å; F31-V54 HydrophobicContact CE2-CG2 4.21Å; F31-V54 HydrophobicContact CZ-CB 4.48Å; F31-V54 HydrophobicContact CZ-CG2 3.21Å
32H58.3Low57.2Low103 Ų10386.6 Ų86.648%0.47747%0.466SS..Hα-helixtrans-64.8-40.2178-163.1-75.7000112.4V28 S29 L35 N36V28-H32 WeakPolarHBondContact O-CB 3.29Å; V28-H32 PolarHBondContact O-N 3.2Å; S29-H32 PolarHBondContact O-N 3.4Å; S29-H32 VanDerWaalsContact O-N 3.15Å; H32-L35 PolarHBondContact O-N 3.47Å; H32-N36 PolarHBondContact CE1-ND2 3.41Å; H32-N36 PolarHBondContact CE1-OD1 2.92Å; H32-N36 PolarHBondContact ND1-ND2 3Å; H32-N36 WeakPolarHBondContact O-CB 3.24Å; H32-N36 PolarHBondContact O-N 3.38Å
33V56.4Low57.2Low93 Ų9385 Ų8556%0.56446%0.464SS*.Hα-helixtrans-61.6-45.8173.4172.70000110.6S29 N30 L35 N36 F37S29-V33 WeakPolarHBondContact O-CG2 3.21Å; S29-V33 PolarHBondContact O-N 2.66Å; N30-V33 PolarHBondContact O-N 3.35Å; V33-L35 VanDerWaalsContact C-N 3.29Å; V33-L35 PolarHBondContact O-N 3.38Å; V33-N36 PolarHBondContact O-N 2.99Å; V33-F37 WeakPolarHBondContact O-CB 3.41Å; V33-F37 PolarHBondContact O-N 3.29Å
34L57.7Low57.2Low105 Ų10588.6 Ų88.655%0.5548%0.475SS..Hα-helixtrans-64.1-36.9177.4-140.8105.8000111.8N30 F31 K38N30-L34 WeakPolarHBondContact O-CB 3.49Å; N30-L34 PolarHBondContact O-N 2.86Å; F31-L34 PolarHBondContact O-N 2.89Å; L34-K38 WeakPolarHBondContact O-CB 3.4Å; L34-K38 WeakPolarHBondContact O-CG 3.32Å; L34-K38 PolarHBondContact O-N 2.94Å
35L55.5Low57.3Low11 Ų1190 Ų906%0.05849%0.49CS..Hα-helixtrans-68.7-45.7178.8-151.883.8000110.9F31 H32 V33 F37 K38 Q39 F47 L50 S51F31-L35 HydrophobicContact CE1-CB 4.33Å; F31-L35 HydrophobicContact CE1-CD1 3.61Å; F31-L35 HydrophobicContact CE1-CD2 4.35Å; F31-L35 HydrophobicContact CE1-CG 4.31Å; F31-L35 HydrophobicContact CZ-CD1 3.73Å; F31-L35 VanDerWaalsContact O-CB 3.31Å; F31-L35 WeakPolarHBondContact O-CB 3.43Å; F31-L35 PolarHBondContact O-N 3.29Å; H32-L35 PolarHBondContact O-N 3.47Å; V33-L35 VanDerWaalsContact C-N 3.29Å; V33-L35 PolarHBondContact O-N 3.38Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 2.78Å; L35-K38 CarbonylContact O-C 3.49Å; L35-K38 PolarHBondContact O-N 2.94Å; L35-K38 VanDerWaalsContact O-N 3.09Å; L35-Q39 PolarHBondContact O-N 3.37Å; L35-F47 HydrophobicContact CB-CE2 4.08Å; L35-F47 HydrophobicContact CD2-CD2 3.89Å; L35-F47 HydrophobicContact CD2-CE2 3.32Å; L35-F47 HydrophobicContact CD2-CZ 3.69Å; L35-F47 HydrophobicContact CG-CD2 3.84Å; L35-F47 HydrophobicContact CG-CE2 3.43Å; L35-F47 VanDerWaalsContact CG-CE2 3.43Å; L35-F47 HydrophobicContact CG-CZ 4.28Å; L35-F47 WeakPolarHBondContact O-CE2 3.49Å; L35-L50 HydrophobicContact CD1-CB 3.89Å; L35-L50 HydrophobicContact CD1-CD1 4.22Å; L35-S51 VanDerWaalsContact CD2-OG 3.26Å; L35-S51 WeakPolarHBondContact CD2-OG 3.49Å
36N55.3Low57.4Low72 Ų7290 Ų9039%0.38549%0.486SS..Hα-helixtrans-59.1-43.5174.6-80.7-7.4000111.4H32 V33 K38 Q39H32-N36 PolarHBondContact CE1-ND2 3.41Å; H32-N36 PolarHBondContact CE1-OD1 2.92Å; H32-N36 PolarHBondContact ND1-ND2 3Å; H32-N36 WeakPolarHBondContact O-CB 3.24Å; H32-N36 PolarHBondContact O-N 3.38Å; V33-N36 PolarHBondContact O-N 2.99Å; N36-K38 VanDerWaalsContact C-N 3.28Å; N36-K38 PolarHBondContact O-N 3.39Å; N36-Q39 WeakPolarHBondContact O-CB 3.34Å; N36-Q39 PolarHBondContact O-N 3.47Å
37F55.4Low57.7Low153 Ų15388 Ų8867%0.67147%0.47SS*.Hα-helixtrans-64.1-34.1175.7-168.1-90.7000112.3V33 L35 T40V33-F37 WeakPolarHBondContact O-CB 3.41Å; V33-F37 PolarHBondContact O-N 3.29Å; L35-F37 VanDerWaalsContact C-N 3.32Å; L35-F37 PolarHBondContact O-N 2.78Å; F37-T40 PolarHBondContact O-OG1 2.93Å
38K48.7Very low57.7Low104 Ų10484.5 Ų84.545%0.45246%0.458SS..Hα-helixtrans-77.8-25.8174.4-80.3-172.2175.8-1740113.2L34 L35 N36 T40 C41 I42L34-K38 WeakPolarHBondContact O-CB 3.4Å; L34-K38 WeakPolarHBondContact O-CG 3.32Å; L34-K38 PolarHBondContact O-N 2.94Å; L35-K38 CarbonylContact O-C 3.49Å; L35-K38 PolarHBondContact O-N 2.94Å; L35-K38 VanDerWaalsContact O-N 3.09Å; N36-K38 VanDerWaalsContact C-N 3.28Å; N36-K38 PolarHBondContact O-N 3.39Å; K38-T40 PolarHBondContact O-N 3.42Å; K38-C41 CarbonylContact O-C 3.45Å; K38-C41 WeakPolarHBondContact O-CA 3.29Å; K38-C41 PolarHBondContact O-N 3.27Å; K38-I42 HydrophobicContact CB-CD1 3.86Å; K38-I42 HydrophobicContact CB-CG1 4.47Å; K38-I42 HydrophobicContact CD-CD1 4.17Å; K38-I42 HydrophobicContact CG-CD1 4.37Å; K38-I42 WeakPolarHBondContact O-CB 3.26Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 3Å
39Q47.6Very low57.9Low69 Ų6986.9 Ų86.932%0.32247%0.468SS..Hα-helixtrans-61.2-34.5175.7-160.5173.48.600111.5L35 N36 C41 F47L35-Q39 PolarHBondContact O-N 3.37Å; N36-Q39 WeakPolarHBondContact O-CB 3.34Å; N36-Q39 PolarHBondContact O-N 3.47Å; Q39-C41 PolarHBondContact O-N 3.48Å; Q39-F47 HydrophobicContact CB-CD2 3.44Å; Q39-F47 VanDerWaalsContact CB-CD2 3.44Å; Q39-F47 HydrophobicContact CB-CE2 3.57Å; Q39-F47 HydrophobicContact CB-CG 4.08Å; Q39-F47 HydrophobicContact CB-CZ 4.34Å; Q39-F47 VanDerWaalsContact CD-CD1 3.47Å; Q39-F47 HydrophobicContact CG-CB 4.01Å; Q39-F47 HydrophobicContact CG-CD1 3.96Å; Q39-F47 HydrophobicContact CG-CD2 3.43Å; Q39-F47 VanDerWaalsContact CG-CD2 3.43Å; Q39-F47 HydrophobicContact CG-CE1 4.27Å; Q39-F47 HydrophobicContact CG-CE2 3.75Å; Q39-F47 HydrophobicContact CG-CG 3.52Å; Q39-F47 HydrophobicContact CG-CZ 4.16Å; Q39-F47 VanDerWaalsContact NE2-CE1 3.27Å
40T51.6Low58.3Low120 Ų12086.9 Ų86.974%0.73646%0.463SS*.THydrogen-bonded Turntrans-63.2-16.2170.527.20000113.9F37 K38F37-T40 PolarHBondContact O-OG1 2.93Å; K38-T40 PolarHBondContact O-N 3.42Å
41C53.5Low58.8Low102 Ų10283.5 Ų83.569%0.68945%0.447SS*.THydrogen-bonded Turntrans-114.4-13-178.3-57.20000114.4K38 Q39K38-C41 CarbonylContact O-C 3.45Å; K38-C41 WeakPolarHBondContact O-CA 3.29Å; K38-C41 PolarHBondContact O-N 3.27Å; Q39-C41 PolarHBondContact O-N 3.48Å
42I49.4Very low59.3Low52 Ų5284.5 Ų84.527%0.26746%0.456SS..SBendtrans-122.5138.9-169.7-61.8178.6000109.5K38 L46K38-I42 HydrophobicContact CB-CD1 3.86Å; K38-I42 HydrophobicContact CB-CG1 4.47Å; K38-I42 HydrophobicContact CD-CD1 4.17Å; K38-I42 HydrophobicContact CG-CD1 4.37Å; K38-I42 WeakPolarHBondContact O-CB 3.26Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 3Å; I42-L46 HydrophobicContact CG2-CB 3.3Å; I42-L46 HydrophobicContact CG2-CD1 3.85Å; I42-L46 HydrophobicContact CG2-CG 4.23Å
43S60.5Low59.8Low74 Ų7482 Ų8252%0.51745%0.449SS..  trans-56142.5177.866.90000111.7S45 L46 F47S43-S45 PolarHBondContact O-N 3.34Å; S43-L46 PolarHBondContact O-N 3Å; S43-F47 PolarHBondContact O-N 3.49Å
44H62.1Low60.6Low126 Ų12679.4 Ų79.458%0.58343%0.434SS*.Hα-helixtrans-49-35.7-174-165.8-89.3000113.7F47 N48H44-F47 PolarHBondContact O-N 3.04Å; H44-N48 PolarHBondContact ND1-ND2 3.41Å; H44-N48 PolarHBondContact O-N 3.28Å
45S63.3Low61.4Low90 Ų9079.6 Ų79.663%0.62943%0.434SS*.Hα-helixtrans-66.3-41.4178.6-52.10000113.6S43 N48 L49S43-S45 PolarHBondContact O-N 3.34Å; S45-N48 PolarHBondContact O-N 3.12Å; S45-L49 PolarHBondContact O-N 3.06Å; S45-L49 VanDerWaalsContact O-N 3.08Å
46L64.4Low62Low94 Ų9482.1 Ų82.149%0.49245%0.453SS..Hα-helixtrans-71.5-35.5178-80.6170.5000111.3I42 S43 L49 L50I42-L46 HydrophobicContact CG2-CB 3.3Å; I42-L46 HydrophobicContact CG2-CD1 3.85Å; I42-L46 HydrophobicContact CG2-CG 4.23Å; S43-L46 PolarHBondContact O-N 3Å; L46-L49 PolarHBondContact O-N 3.42Å; L46-L50 WeakPolarHBondContact O-CG 3.41Å; L46-L50 PolarHBondContact O-N 2.97Å
47F65.5Low62.8Low21 Ų2184.3 Ų84.39%0.09246%0.463CS..Hα-helixtrans-61.3-46.8172.1178.5-94.2000111.4L35 Q39 S43 H44 L49 L50 S51L35-F47 HydrophobicContact CB-CE2 4.08Å; L35-F47 HydrophobicContact CD2-CD2 3.89Å; L35-F47 HydrophobicContact CD2-CE2 3.32Å; L35-F47 HydrophobicContact CD2-CZ 3.69Å; L35-F47 HydrophobicContact CG-CD2 3.84Å; L35-F47 HydrophobicContact CG-CE2 3.43Å; L35-F47 VanDerWaalsContact CG-CE2 3.43Å; L35-F47 HydrophobicContact CG-CZ 4.28Å; L35-F47 WeakPolarHBondContact O-CE2 3.49Å; Q39-F47 HydrophobicContact CB-CD2 3.44Å; Q39-F47 VanDerWaalsContact CB-CD2 3.44Å; Q39-F47 HydrophobicContact CB-CE2 3.57Å; Q39-F47 HydrophobicContact CB-CG 4.08Å; Q39-F47 HydrophobicContact CB-CZ 4.34Å; Q39-F47 VanDerWaalsContact CD-CD1 3.47Å; Q39-F47 HydrophobicContact CG-CB 4.01Å; Q39-F47 HydrophobicContact CG-CD1 3.96Å; Q39-F47 HydrophobicContact CG-CD2 3.43Å; Q39-F47 VanDerWaalsContact CG-CD2 3.43Å; Q39-F47 HydrophobicContact CG-CE1 4.27Å; Q39-F47 HydrophobicContact CG-CE2 3.75Å; Q39-F47 HydrophobicContact CG-CG 3.52Å; Q39-F47 HydrophobicContact CG-CZ 4.16Å; Q39-F47 VanDerWaalsContact NE2-CE1 3.27Å; S43-F47 PolarHBondContact O-N 3.49Å; H44-F47 PolarHBondContact O-N 3.04Å; F47-L49 VanDerWaalsContact C-N 3.3Å; F47-L49 PolarHBondContact O-N 3.37Å; F47-L50 PolarHBondContact O-N 3.38Å; F47-S51 WeakPolarHBondContact CE1-OG 3.33Å; F47-S51 PolarHBondContact O-N 3.46Å; F47-S51 PolarHBondContact O-OG 3.07Å; F47-S51 VanDerWaalsContact O-OG 3.11Å
48N62.3Low63.5Low71 Ų7180.7 Ų80.738%0.3845%0.448SS..Hα-helixtrans-60.7-40177.4-74.8-7.6000112.2H44 S45 S51 L52H44-N48 PolarHBondContact ND1-ND2 3.41Å; H44-N48 PolarHBondContact O-N 3.28Å; S45-N48 PolarHBondContact O-N 3.12Å; N48-S51 PolarHBondContact O-N 3.3Å; N48-L52 WeakPolarHBondContact O-CB 3.35Å; N48-L52 VanDerWaalsContact O-CG 3.31Å; N48-L52 WeakPolarHBondContact O-CG 3.4Å; N48-L52 PolarHBondContact O-N 2.98Å
49L69.6Low64.4Low115 Ų11582 Ų8260%0.60245%0.454SS*.Hα-helixtrans-63.3-44.2176.3-16773000111.7S45 L46 F47 L52 S53S45-L49 PolarHBondContact O-N 3.06Å; S45-L49 VanDerWaalsContact O-N 3.08Å; L46-L49 PolarHBondContact O-N 3.42Å; F47-L49 VanDerWaalsContact C-N 3.3Å; F47-L49 PolarHBondContact O-N 3.37Å; L49-L52 PolarHBondContact O-N 2.93Å; L49-S53 PolarHBondContact O-N 3.1Å
50L66.1Low65.4Low65 Ų6583.8 Ų83.834%0.3447%0.466SS..Hα-helixtrans-62-46.9175.5-75.9166.6000111.4L35 L46 F47 L52 S53 V54L35-L50 HydrophobicContact CD1-CB 3.89Å; L35-L50 HydrophobicContact CD1-CD1 4.22Å; L46-L50 WeakPolarHBondContact O-CG 3.41Å; L46-L50 PolarHBondContact O-N 2.97Å; F47-L50 PolarHBondContact O-N 3.38Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 2.97Å; L50-S53 WeakPolarHBondContact CA-OG 3.46Å; L50-S53 PolarHBondContact O-N 3.36Å; L50-S53 PolarHBondContact O-OG 2.88Å; L50-V54 WeakPolarHBondContact O-CG2 3.16Å; L50-V54 PolarHBondContact O-N 2.94Å
51S69.5Low66Low30 Ų3080.9 Ų80.921%0.2145%0.45CS..Hα-helixtrans-57-45.4176.1-630000112.1L35 F47 N48 V54 I55L35-S51 VanDerWaalsContact CD2-OG 3.26Å; L35-S51 WeakPolarHBondContact CD2-OG 3.49Å; F47-S51 WeakPolarHBondContact CE1-OG 3.33Å; F47-S51 PolarHBondContact O-N 3.46Å; F47-S51 PolarHBondContact O-OG 3.07Å; F47-S51 VanDerWaalsContact O-OG 3.11Å; N48-S51 PolarHBondContact O-N 3.3Å; S51-V54 PolarHBondContact O-N 3.37Å; S51-I55 WeakPolarHBondContact O-CG1 3.33Å; S51-I55 PolarHBondContact O-N 3.44Å
52L71.8Confident66.9Low105 Ų10580.9 Ų80.955%0.5544%0.44SS..Hα-helixtrans-64.5-40.7176.9-72.9171.5000112.5N48 L49 L50 V54 I55 S56N48-L52 WeakPolarHBondContact O-CB 3.35Å; N48-L52 VanDerWaalsContact O-CG 3.31Å; N48-L52 WeakPolarHBondContact O-CG 3.4Å; N48-L52 PolarHBondContact O-N 2.98Å; L49-L52 PolarHBondContact O-N 2.93Å; L50-L52 VanDerWaalsContact C-N 3.34Å; L50-L52 PolarHBondContact O-N 2.97Å; L52-V54 VanDerWaalsContact C-N 3.27Å; L52-V54 PolarHBondContact O-N 2.95Å; L52-I55 PolarHBondContact O-N 3.48Å; L52-S56 WeakPolarHBondContact O-CB 3.4Å; L52-S56 PolarHBondContact O-N 2.88Å; L52-S56 PolarHBondContact O-OG 3.38Å
53S69.4Low67.6Low49 Ų4983.2 Ų83.234%0.34345%0.453SS..Hα-helixtrans-62.3-37.5176.570.70000111.9L49 L50 S56 I57L49-S53 PolarHBondContact O-N 3.1Å; L50-S53 WeakPolarHBondContact CA-OG 3.46Å; L50-S53 PolarHBondContact O-N 3.36Å; L50-S53 PolarHBondContact O-OG 2.88Å; S53-S56 PolarHBondContact O-N 2.98Å; S53-I57 VanDerWaalsContact O-CG1 3.26Å; S53-I57 WeakPolarHBondContact O-CG1 3.49Å; S53-I57 PolarHBondContact O-N 3.01Å
54V73.1Confident67.8Low40 Ų4082.3 Ų82.324%0.24245%0.446CS..Hα-helixtrans-72.9-43-179.2171.80000111.3F31 L50 S51 L52 S56 I57 H58F31-V54 HydrophobicContact CD1-CG1 3.91Å; F31-V54 HydrophobicContact CD1-CG2 3.96Å; F31-V54 HydrophobicContact CE1-CB 3.94Å; F31-V54 HydrophobicContact CE1-CG1 3.84Å; F31-V54 HydrophobicContact CE1-CG2 3.06Å; F31-V54 HydrophobicContact CE2-CG2 4.21Å; F31-V54 HydrophobicContact CZ-CB 4.48Å; F31-V54 HydrophobicContact CZ-CG2 3.21Å; L50-V54 WeakPolarHBondContact O-CG2 3.16Å; L50-V54 PolarHBondContact O-N 2.94Å; S51-V54 PolarHBondContact O-N 3.37Å; L52-V54 VanDerWaalsContact C-N 3.27Å; L52-V54 PolarHBondContact O-N 2.95Å; V54-S56 PolarHBondContact O-N 2.9Å; V54-I57 PolarHBondContact O-N 3.41Å; V54-H58 WeakPolarHBondContact O-CB 3.47Å; V54-H58 PolarHBondContact O-N 3.24Å
55I75.4Confident68.1Low108 Ų10879.5 Ų79.555%0.55444%0.436SS*.Hα-helixtrans-57.4-42171.1-67.9165.9000110.2S51 L52 H58 K59S51-I55 WeakPolarHBondContact O-CG1 3.33Å; S51-I55 PolarHBondContact O-N 3.44Å; L52-I55 PolarHBondContact O-N 3.48Å; I55-H58 PolarHBondContact O-N 3.16Å; I55-K59 WeakPolarHBondContact O-CB 3.42Å; I55-K59 PolarHBondContact O-N 3.39Å
56S68.4Low68.2Low65 Ų6579 Ų7946%0.45543%0.428SS..Hα-helixtrans-66.9-42.3179.2-56.90000112.4L52 S53 V54 H58 K59 N60L52-S56 WeakPolarHBondContact O-CB 3.4Å; L52-S56 PolarHBondContact O-N 2.88Å; L52-S56 PolarHBondContact O-OG 3.38Å; S53-S56 PolarHBondContact O-N 2.98Å; V54-S56 PolarHBondContact O-N 2.9Å; S56-H58 VanDerWaalsContact C-N 3.34Å; S56-K59 PolarHBondContact O-N 3.22Å; S56-N60 WeakPolarHBondContact O-CB 3.48Å; S56-N60 PolarHBondContact O-N 2.93Å
57I70.8Confident67.7Low118 Ų11883 Ų8361%0.60544%0.437SS*.Hα-helixtrans-62.2-43.9174.9-69.9163.2000110.3S53 V54 N60 S61S53-I57 VanDerWaalsContact O-CG1 3.26Å; S53-I57 WeakPolarHBondContact O-CG1 3.49Å; S53-I57 PolarHBondContact O-N 3.01Å; V54-I57 PolarHBondContact O-N 3.41Å; I57-N60 PolarHBondContact O-N 3.29Å; I57-S61 PolarHBondContact O-N 3.26Å
58H70.6Confident67.9Low76 Ų7688.3 Ų88.335%0.35246%0.46SS..Hα-helixtrans-61.6-48.8178.6-169.264.8000111.4V54 I55 S56 N60 S61 E62V54-H58 WeakPolarHBondContact O-CB 3.47Å; V54-H58 PolarHBondContact O-N 3.24Å; I55-H58 PolarHBondContact O-N 3.16Å; S56-H58 VanDerWaalsContact C-N 3.34Å; H58-N60 VanDerWaalsContact C-N 3.33Å; H58-N60 PolarHBondContact O-N 2.95Å; H58-S61 WeakPolarHBondContact O-CB 3.42Å; H58-S61 PolarHBondContact O-N 2.9Å; H58-E62 IonicContact CD2-OE1 3.79Å; H58-E62 IonicContact NE2-OE1 3.42Å; H58-E62 PolarHBondContact NE2-OE1 3.36Å; H58-E62 PolarHBondContact O-N 3.05Å
59K67.3Low68.2Low133 Ų13390.1 Ų90.158%0.57847%0.47SS*.Hα-helixtrans-62-38177.6-166.3175-177.11780112.7I55 S56 S61 E62 L63I55-K59 WeakPolarHBondContact O-CB 3.42Å; I55-K59 PolarHBondContact O-N 3.39Å; S56-K59 PolarHBondContact O-N 3.22Å; K59-S61 VanDerWaalsContact C-N 3.33Å; K59-E62 PolarHBondContact O-N 3.37Å; K59-L63 HydrophobicContact CG-CD1 4.35Å; K59-L63 WeakPolarHBondContact O-CB 3.42Å; K59-L63 WeakPolarHBondContact O-CD1 3.5Å; K59-L63 PolarHBondContact O-N 3.11Å
60N68.1Low68.1Low106 Ų10689 Ų8957%0.56746%0.463SS*.Hα-helixtrans-66-36174.1-79.8-14.1000112.3S56 I57 H58 S64S56-N60 WeakPolarHBondContact O-CB 3.48Å; S56-N60 PolarHBondContact O-N 2.93Å; I57-N60 PolarHBondContact O-N 3.29Å; H58-N60 VanDerWaalsContact C-N 3.33Å; H58-N60 PolarHBondContact O-N 2.95Å; N60-S64 PolarHBondContact O-N 2.95Å
61S65.4Low68.3Low58 Ų5889.6 Ų89.641%0.40647%0.467SS..Hα-helixtrans-66.5-42.7174.5-169.20000111.5I57 H58 K59 S64 N65I57-S61 PolarHBondContact O-N 3.26Å; H58-S61 WeakPolarHBondContact O-CB 3.42Å; H58-S61 PolarHBondContact O-N 2.9Å; K59-S61 VanDerWaalsContact C-N 3.33Å; S61-S64 WeakPolarHBondContact O-CB 3.47Å; S61-S64 PolarHBondContact O-N 3.45Å; S61-N65 PolarHBondContact O-N 3.2Å
62E72.3Confident68.2Low102 Ų10290 Ų9048%0.47747%0.472SS..Hα-helixtrans-61.3-45.8174.6-70.2-179.7159.100111.4H58 K59 S64 N65 V66H58-E62 IonicContact CD2-OE1 3.79Å; H58-E62 IonicContact NE2-OE1 3.42Å; H58-E62 PolarHBondContact NE2-OE1 3.36Å; H58-E62 PolarHBondContact O-N 3.05Å; K59-E62 PolarHBondContact O-N 3.37Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.36Å; E62-N65 WeakPolarHBondContact O-CB 3.5Å; E62-N65 PolarHBondContact O-N 3.24Å; E62-V66 WeakPolarHBondContact O-CG2 3.49Å; E62-V66 PolarHBondContact O-N 3.39Å
63L63.1Low68Low102 Ų10290.8 Ų90.853%0.53448%0.477SS..Hα-helixtrans-59.1-38.7174.1-84.3155.4000112.3K59 N65 R67K59-L63 HydrophobicContact CG-CD1 4.35Å; K59-L63 WeakPolarHBondContact O-CB 3.42Å; K59-L63 WeakPolarHBondContact O-CD1 3.5Å; K59-L63 PolarHBondContact O-N 3.11Å; L63-N65 VanDerWaalsContact C-N 3.32Å; L63-R67 WeakPolarHBondContact O-CB 3.49Å; L63-R67 PolarHBondContact O-N 2.97Å
64S64.7Low67.8Low54 Ų5493.3 Ų93.338%0.37849%0.485SS..Hα-helixtrans-66.2-34.5174.6-177.10000112.4N60 S61 E62 K68N60-S64 PolarHBondContact O-N 2.95Å; S61-S64 WeakPolarHBondContact O-CB 3.47Å; S61-S64 PolarHBondContact O-N 3.45Å; E62-S64 VanDerWaalsContact C-N 3.28Å; E62-S64 PolarHBondContact O-N 3.36Å; S64-K68 WeakPolarHBondContact O-CG 3.28Å; S64-K68 PolarHBondContact O-N 3.28Å; S64-K68 VanDerWaalsContact O-N 3.11Å
65N68.6Low67Low68 Ų6898.1 Ų98.136%0.36451%0.505SS..Hα-helixtrans-70.7-46.2176.4-72.1-12.3000110.5S61 E62 L63 R67 K68 D69S61-N65 PolarHBondContact O-N 3.2Å; E62-N65 WeakPolarHBondContact O-CB 3.5Å; E62-N65 PolarHBondContact O-N 3.24Å; L63-N65 VanDerWaalsContact C-N 3.32Å; N65-R67 PolarHBondContact O-N 3.18Å; N65-K68 WeakPolarHBondContact O-CB 3.42Å; N65-K68 PolarHBondContact O-N 3.37Å; N65-D69 PolarHBondContact O-N 3.34Å
66V66.5Low66.2Low79 Ų79101.8 Ų101.848%0.47951%0.514SS..Hα-helixtrans-55.8-40.8173.1173.50000111.1E62 D69 I70E62-V66 WeakPolarHBondContact O-CG2 3.49Å; E62-V66 PolarHBondContact O-N 3.39Å; V66-D69 PolarHBondContact O-N 2.93Å; V66-I70 HydrophobicContact CG1-CD1 3.88Å; V66-I70 HydrophobicContact CG1-CG1 4.49Å; V66-I70 VanDerWaalsContact O-CG1 3.28Å; V66-I70 WeakPolarHBondContact O-CG1 3.41Å; V66-I70 PolarHBondContact O-N 3.26Å
67R53.4Low65.6Low177 Ų177107.6 Ų107.667%0.66853%0.531SS*.Hα-helixtrans-63.1-43.1176.3-169.9175.1-171.9-175.94112.4L63 N65 D69 I70 D71L63-R67 WeakPolarHBondContact O-CB 3.49Å; L63-R67 PolarHBondContact O-N 2.97Å; N65-R67 PolarHBondContact O-N 3.18Å; R67-D69 VanDerWaalsContact C-N 3.33Å; R67-I70 PolarHBondContact O-N 2.93Å; R67-D71 WeakPolarHBondContact O-CB 3.41Å; R67-D71 VanDerWaalsContact O-CG 3.27Å; R67-D71 PolarHBondContact O-N 3.24Å
68K70.1Confident64.8Low134 Ų134107.9 Ų107.958%0.58354%0.537SS*.Hα-helixtrans-64.8-38.1176.5-74.7175.5179.9176.60112.1S64 N65 D71 A72S64-K68 WeakPolarHBondContact O-CG 3.28Å; S64-K68 PolarHBondContact O-N 3.28Å; S64-K68 VanDerWaalsContact O-N 3.11Å; N65-K68 WeakPolarHBondContact O-CB 3.42Å; N65-K68 PolarHBondContact O-N 3.37Å; K68-D71 PolarHBondContact O-N 2.99Å; K68-A72 WeakPolarHBondContact O-CB 3.4Å; K68-A72 PolarHBondContact O-N 2.91Å
69D69.2Low63.8Low108 Ų108113.8 Ų113.858%0.57857%0.569SS**Hα-helixtrans-66.2-42.2177.1-66.6-20.4000111N65 V66 R67 A72 D73N65-D69 PolarHBondContact O-N 3.34Å; V66-D69 PolarHBondContact O-N 2.93Å; R67-D69 VanDerWaalsContact C-N 3.33Å; D69-A72 PolarHBondContact O-N 3.39Å; D69-D73 PolarHBondContact O-N 3.04Å
70I67.2Low63.6Low91 Ų91112.8 Ų112.847%0.46757%0.569SS.*Hα-helixtrans-62.9-45.3173.5-67.5166.8000111.2V66 R67 A72 D73 I74V66-I70 HydrophobicContact CG1-CD1 3.88Å; V66-I70 HydrophobicContact CG1-CG1 4.49Å; V66-I70 VanDerWaalsContact O-CG1 3.28Å; V66-I70 WeakPolarHBondContact O-CG1 3.41Å; V66-I70 PolarHBondContact O-N 3.26Å; R67-I70 PolarHBondContact O-N 2.93Å; I70-A72 VanDerWaalsContact C-N 3.29Å; I70-A72 PolarHBondContact O-N 3.19Å; I70-D73 PolarHBondContact O-N 2.9Å; I70-I74 HydrophobicContact CG2-CD1 3.94Å; I70-I74 WeakPolarHBondContact O-CG1 3.31Å; I70-I74 PolarHBondContact O-N 2.99Å
71D69.6Low63.4Low78 Ų78113.2 Ų113.242%0.41757%0.569SS.*Hα-helixtrans-61.8-38.6178.8-73.8-20.7000111.1R67 K68 Q75R67-D71 WeakPolarHBondContact O-CB 3.41Å; R67-D71 VanDerWaalsContact O-CG 3.27Å; R67-D71 PolarHBondContact O-N 3.24Å; K68-D71 PolarHBondContact O-N 2.99Å; D71-Q75 WeakPolarHBondContact O-CG 3.46Å; D71-Q75 PolarHBondContact O-N 3.02Å; D71-Q75 VanDerWaalsContact O-N 3.13Å
72A68Low63.3Low39 Ų39116.2 Ų116.232%0.32258%0.578SS.*Hα-helixtrans-65.1-44.7174.600000111.9K68 D69 I70 I74 Q75 Y76K68-A72 WeakPolarHBondContact O-CB 3.4Å; K68-A72 PolarHBondContact O-N 2.91Å; D69-A72 PolarHBondContact O-N 3.39Å; I70-A72 VanDerWaalsContact C-N 3.29Å; I70-A72 PolarHBondContact O-N 3.19Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.41Å; A72-Q75 PolarHBondContact O-N 3.41Å; A72-Y76 VanDerWaalsContact O-CD2 3.31Å; A72-Y76 WeakPolarHBondContact O-CD2 3.42Å; A72-Y76 PolarHBondContact O-N 3.13Å
73D67.6Low62.8Low122 Ų122117.1 Ų117.165%0.65258%0.584SS**Hα-helixtrans-61.9-38.2177.9-10619.7000112.6D69 I70 K77D69-D73 PolarHBondContact O-N 3.04Å; I70-D73 PolarHBondContact O-N 2.9Å; D73-K77 PolarHBondContact O-N 3.31Å
74I64.8Low62.7Low101 Ų101118 Ų11852%0.51859%0.587SS.*Hα-helixtrans-65.5-43.9174.8-66.8168.5000110.3I70 A72 Y76 K77 V78I70-I74 HydrophobicContact CG2-CD1 3.94Å; I70-I74 WeakPolarHBondContact O-CG1 3.31Å; I70-I74 PolarHBondContact O-N 2.99Å; A72-I74 VanDerWaalsContact C-N 3.33Å; A72-I74 PolarHBondContact O-N 3.41Å; I74-Y76 PolarHBondContact O-N 3.43Å; I74-K77 PolarHBondContact O-N 3.3Å; I74-V78 WeakPolarHBondContact O-CG2 3.38Å
75Q57Low62.6Low142 Ų142122.3 Ų122.366%0.66460%0.601SS**Hα-helixtrans-63.3-40179.2-74.5-176.45.200112.7D71 A72 K77 V78D71-Q75 WeakPolarHBondContact O-CG 3.46Å; D71-Q75 PolarHBondContact O-N 3.02Å; D71-Q75 VanDerWaalsContact O-N 3.13Å; A72-Q75 PolarHBondContact O-N 3.41Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.47Å; Q75-V78 PolarHBondContact O-N 3.34Å
76Y57.4Low62.2Low185 Ų185126.1 Ų126.173%0.72562%0.618SS**Hα-helixtrans-69.8-24.7178.7-86.5-77000113.8A72 I74 V78A72-Y76 VanDerWaalsContact O-CD2 3.31Å; A72-Y76 WeakPolarHBondContact O-CD2 3.42Å; A72-Y76 PolarHBondContact O-N 3.13Å; I74-Y76 PolarHBondContact O-N 3.43Å; Y76-V78 VanDerWaalsContact C-N 3.34Å
77K56.4Low61.9Low187 Ų187129.8 Ų129.881%0.81363%0.629SS**Hα-helixtrans-77.7-14.7175.7-96.6-177.8178.2173.60114.5D73 I74 Q75D73-K77 PolarHBondContact O-N 3.31Å; I74-K77 PolarHBondContact O-N 3.3Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.47Å
78V54.3Low62.6Low123 Ų123125.8 Ų125.875%0.74563%0.626SS**THydrogen-bonded Turntrans-91.2-7.4-176.9178.20000112.4I74 Q75 Y76I74-V78 WeakPolarHBondContact O-CG2 3.38Å; Q75-V78 PolarHBondContact O-N 3.34Å; Y76-V78 VanDerWaalsContact C-N 3.34Å
79I49.1Very low61.9Low200 Ų200125.1 Ų125.1100%1.02663%0.63SS**  trans-102.20176.4-53.3175.6000109.8

Retrieved 79 of 79 residues in 100.4 ms (Link to these results)