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Chromatin modification-related protein MEAF6

Component of the NuA4 histone acetyltransferase complex which is involved in transcriptional activation of select genes principally by acetylation of nucleosomal histone H4 and H2A. This modification may both alter nucleosome - DNA interactions and promote interaction of the modified histones with other proteins which positively regulate transcription. Component of HBO1 complexes, which specifically mediate acetylation of histone H3 at 'Lys-14' (H3K14ac), and have reduced activity toward histone H4. Component of the MOZ/MORF complex which has a histone H3 acetyltransferase activity.

AlphaFold DB (A0A455BD51), UniProt , Accession A0A096MU84, Species PAPAN (Papio anubis, Olive baboon), Gene MEAF6, Length 201 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
1M46Very low57.6Low229 Ų229144 Ų144100%1.12881%0.807SS**  0105.40-86167.9167.900108
2A49.7Very low58.3Low82 Ų82143.8 Ų143.868%0.67880%0.8SS**  trans-88.2115.1176.200000108.9H4A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 PolarHBondContact O-ND1 3.47Å
3M59.5Low59.3Low162 Ų162139.7 Ų139.780%0.79878%0.784SS**  trans-78.8105.8176.9-58-60.4-174.300108.3N5M3-N5 PolarHBondContact O-N 2.75Å
4H53.5Low61Low171 Ų171137.1 Ų137.179%0.79277%0.767SS**  trans-76.9100.6174.7-64.982.6000108.6A2 K6A2-H4 PolarHBondContact O-N 3.34Å; A2-H4 PolarHBondContact O-ND1 3.47Å; H4-K6 PolarHBondContact O-N 3.13Å
5N58.8Low63Low159 Ų159133.7 Ų133.785%0.8575%0.751SS**  trans-69.6100166.6-91.2-0.6000108.5M3 A7M3-N5 PolarHBondContact O-N 2.75Å; N5-A7 PolarHBondContact O-N 3.11Å
6K56.1Low64.7Low206 Ų206138.5 Ų138.590%0.89675%0.754SS**  trans-71.697.9172.5-159.3169.6-174.71770107.7H4 A8H4-K6 PolarHBondContact O-N 3.13Å; K6-A8 PolarHBondContact O-N 3.04Å
7A62.3Low66.4Low90 Ų90139.8 Ų139.874%0.74475%0.745SS**PPolyproline II helixtrans-57.4126.7172.700000109.1N5N5-A7 PolarHBondContact O-N 3.11Å
8A63.5Low67.8Low91 Ų91138.1 Ų138.175%0.75273%0.732SS**PPolyproline II helixtrans-60.7132.217400000108.8K6K6-A8 PolarHBondContact O-N 3.04Å
9P61.8Low69.3Low102 Ų102136.6 Ų136.666%0.66272%0.724SS**PPolyproline II helixtrans-60.3145176.923.8-31000109.8Q11P9-Q11 PolarHBondContact O-N 3.1Å; P9-Q11 VanDerWaalsContact O-N 3.09Å
10P60.1Low70.6Confident115 Ų115132.8 Ų132.875%0.74771%0.713SS**PPolyproline II helixtrans-57.7119.5177.923.8-31.9000108.8I12P10-I12 PolarHBondContact O-N 3.15Å
11Q62.5Low71.8Confident177 Ų177131.6 Ų131.683%0.82770%0.703SS**  trans-67.297.4172.9-73.4-71.8-9.300107.4P9 P13P9-Q11 PolarHBondContact O-N 3.1Å; P9-Q11 VanDerWaalsContact O-N 3.09Å; Q11-P13 VanDerWaalsContact O-CD 3.3Å; Q11-P13 WeakPolarHBondContact O-CD 3.3Å
12I65.6Low74.3Confident142 Ų142125.4 Ų125.473%0.72867%0.674SS**  trans-66.6117171.2-59.1168.3000105.5P10 D14P10-I12 PolarHBondContact O-N 3.15Å; I12-D14 PolarHBondContact O-N 3.35Å
13P71.9Confident76.6Confident90 Ų90125.6 Ų125.658%0.58467%0.666SS**  trans-56.6140.5176.221.1-29.6000109.4Q11 T15Q11-P13 VanDerWaalsContact O-CD 3.3Å; Q11-P13 WeakPolarHBondContact O-CD 3.3Å; P13-T15 PolarHBondContact O-N 2.96Å
14D82.3Confident78.4Confident104 Ų104124.1 Ų124.156%0.55666%0.655SS**  trans-7276-179.6-172.1-3.2000110.3I12 R16 R17 E18I12-D14 PolarHBondContact O-N 3.35Å; D14-R16 PolarHBondContact O-N 3.18Å; D14-R16 VanDerWaalsContact O-N 3.15Å; D14-R17 HydrophobicContact CB-CB 4.15Å; D14-R17 WeakPolarHBondContact O-CB 3.46Å; D14-R17 PolarHBondContact O-N 3.22Å; D14-R17 PolarHBondContact OD1-N 3.34Å; D14-E18 PolarHBondContact O-N 2.76Å; D14-E18 VanDerWaalsContact O-N 3.08Å
15T91.4Very high80.5Confident86 Ų86124 Ų12453%0.52865%0.648SS.*Hα-helixtrans-57.2-27-177.652.30000112.9P13 L19P13-T15 PolarHBondContact O-N 2.96Å; T15-L19 VanDerWaalsContact O-CB 3.3Å; T15-L19 WeakPolarHBondContact O-CB 3.3Å; T15-L19 PolarHBondContact O-N 3.05Å
16R90.9Very high82.4Confident210 Ų210124.2 Ų124.279%0.79264%0.641SS**Hα-helixtrans-69.2-43.3175.7-73.4-172.8168.2-143.1-2.1111.4D14 A20D14-R16 PolarHBondContact O-N 3.18Å; D14-R16 VanDerWaalsContact O-N 3.15Å; R16-A20 PolarHBondContact O-N 3.32Å; R16-A20 VanDerWaalsContact O-N 3.1Å
17R92.3Very high84.4Confident160 Ų160120 Ų12060%0.60463%0.625SS**Hα-helixtrans-64.7-46.1174.8178.5-178.7169.1171.5-0.3111.3D14 L19 A20 E21D14-R17 HydrophobicContact CB-CB 4.15Å; D14-R17 WeakPolarHBondContact O-CB 3.46Å; D14-R17 PolarHBondContact O-N 3.22Å; D14-R17 PolarHBondContact OD1-N 3.34Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 2.95Å; R17-A20 WeakPolarHBondContact O-CB 3.31Å; R17-A20 PolarHBondContact O-N 3.32Å; R17-A20 VanDerWaalsContact O-N 3.14Å; R17-E21 IonicContact CZ-OE1 2.7Å; R17-E21 IonicContact NE-OE1 3.02Å; R17-E21 PolarHBondContact NE-OE1 2.97Å; R17-E21 IonicContact NH2-OE1 2.99Å; R17-E21 PolarHBondContact O-N 2.74Å
18E93Very high86.1Confident110 Ų110120 Ų12051%0.51461%0.609SS.*Hα-helixtrans-58.7-44.5177.6-175.7179.5-17600111.6D14 A20 E21 L22D14-E18 PolarHBondContact O-N 2.76Å; D14-E18 VanDerWaalsContact O-N 3.08Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 3.07Å; E18-E21 PolarHBondContact O-N 3.44Å; E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.44Å
19L95.1Very high87.7Confident109 Ų109120.7 Ų120.757%0.57160%0.6SS**Hα-helixtrans-59.1-43.1175.3179.962.6000112T15 R17 E21 L22 V23T15-L19 VanDerWaalsContact O-CB 3.3Å; T15-L19 WeakPolarHBondContact O-CB 3.3Å; T15-L19 PolarHBondContact O-N 3.05Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 2.95Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.01Å; L19-L22 PolarHBondContact O-N 3.09Å; L19-V23 HydrophobicContact CD1-CG2 4.27Å; L19-V23 HydrophobicContact CG-CG2 4.48Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.37Å; L19-V23 PolarHBondContact O-N 3.05Å
20A95.5Very high89.4Confident61 Ų61118.5 Ų118.550%0.50459%0.591SS.*Hα-helixtrans-62.3-41.4177.800000111.9R16 R17 E18 V23 K24R16-A20 PolarHBondContact O-N 3.32Å; R16-A20 VanDerWaalsContact O-N 3.1Å; R17-A20 WeakPolarHBondContact O-CB 3.31Å; R17-A20 PolarHBondContact O-N 3.32Å; R17-A20 VanDerWaalsContact O-N 3.14Å; E18-A20 VanDerWaalsContact C-N 3.32Å; E18-A20 PolarHBondContact O-N 3.07Å; A20-V23 PolarHBondContact O-N 3.27Å; A20-K24 WeakPolarHBondContact O-CB 3.42Å; A20-K24 PolarHBondContact O-N 3.48Å
21E96.1Very high91.1Very high108 Ų108117.9 Ų117.951%0.50558%0.578SS.*Hα-helixtrans-64.3-41.6175.7-69.5178.4-168.400111.6R17 E18 L19 K24 R25R17-E21 IonicContact CZ-OE1 2.7Å; R17-E21 IonicContact NE-OE1 3.02Å; R17-E21 PolarHBondContact NE-OE1 2.97Å; R17-E21 IonicContact NH2-OE1 2.99Å; R17-E21 PolarHBondContact O-N 2.74Å; E18-E21 PolarHBondContact O-N 3.44Å; L19-E21 VanDerWaalsContact C-N 3.34Å; L19-E21 PolarHBondContact O-N 3.01Å; E21-K24 PolarHBondContact O-N 3.22Å; E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.01Å
22L97.7Very high92.8Very high99 Ų99113 Ų11352%0.51856%0.56SS.*Hα-helixtrans-65-42.3176-71.8174.2000112.8E18 L19 R25 K26E18-L22 HydrophobicContact CG-CD1 4.35Å; E18-L22 WeakPolarHBondContact O-CG 3.45Å; E18-L22 PolarHBondContact O-N 3.44Å; L19-L22 PolarHBondContact O-N 3.09Å; L22-R25 PolarHBondContact O-N 3.3Å; L22-K26 WeakPolarHBondContact O-CB 3.41Å; L22-K26 PolarHBondContact O-N 3.14Å
23V97.9Very high94.3Very high86 Ų86110.4 Ų110.452%0.52155%0.547SS..Hα-helixtrans-63.2-45176.9169.20000110.6L19 A20 R25 K26 Q27L19-V23 HydrophobicContact CD1-CG2 4.27Å; L19-V23 HydrophobicContact CG-CG2 4.48Å; L19-V23 VanDerWaalsContact O-CG2 3.31Å; L19-V23 WeakPolarHBondContact O-CG2 3.37Å; L19-V23 PolarHBondContact O-N 3.05Å; A20-V23 PolarHBondContact O-N 3.27Å; V23-R25 PolarHBondContact O-N 3.48Å; V23-K26 WeakPolarHBondContact O-CB 3.43Å; V23-K26 PolarHBondContact O-N 2.91Å; V23-Q27 PolarHBondContact O-N 3.46Å
24K98Very high95.5Very high131 Ų131107 Ų10757%0.5753%0.527SS*.Hα-helixtrans-58.7-48.3175.7-172.3-172-179.3-159.30111.2A20 E21 K26 Q27 E28A20-K24 WeakPolarHBondContact O-CB 3.42Å; A20-K24 PolarHBondContact O-N 3.48Å; E21-K24 PolarHBondContact O-N 3.22Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.41Å; K24-Q27 WeakPolarHBondContact O-CB 3.34Å; K24-Q27 PolarHBondContact O-N 2.94Å; K24-Q27 VanDerWaalsContact O-N 3.11Å; K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 IonicContact NZ-OE1 2.9Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 2.95Å
25R98.1Very high96.3Very high169 Ų169105.7 Ų105.764%0.63852%0.52SS*.Hα-helixtrans-62.1-38.8178.5-171.4176.4-175.5136.51.8112.3E21 L22 V23 Q27 E28 L29E21-R25 WeakPolarHBondContact O-CB 3.44Å; E21-R25 PolarHBondContact O-N 3.01Å; L22-R25 PolarHBondContact O-N 3.3Å; V23-R25 PolarHBondContact O-N 3.48Å; R25-Q27 VanDerWaalsContact C-N 3.3Å; R25-Q27 PolarHBondContact O-N 3.08Å; R25-E28 PolarHBondContact O-N 3.4Å; R25-L29 HydrophobicContact CG-CD1 4.33Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-L29 PolarHBondContact O-N 3.43Å
26K97.9Very high96.6Very high163 Ų163105.8 Ų105.871%0.70952%0.516SS*.Hα-helixtrans-59.9-42.4174.5-179.3-173.2173.1-173.90111.1L22 V23 K24 A30L22-K26 WeakPolarHBondContact O-CB 3.41Å; L22-K26 PolarHBondContact O-N 3.14Å; V23-K26 WeakPolarHBondContact O-CB 3.43Å; V23-K26 PolarHBondContact O-N 2.91Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 3.41Å; K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 3.31Å
27Q97.8Very high96.9Very high116 Ų11696.3 Ų96.354%0.54248%0.481SS..Hα-helixtrans-64.8-48.6177.5-179.4177-13.700111.8V23 K24 R25 L29 A30 E31V23-Q27 PolarHBondContact O-N 3.46Å; K24-Q27 WeakPolarHBondContact O-CB 3.34Å; K24-Q27 PolarHBondContact O-N 2.94Å; K24-Q27 VanDerWaalsContact O-N 3.11Å; R25-Q27 VanDerWaalsContact C-N 3.3Å; R25-Q27 PolarHBondContact O-N 3.08Å; Q27-L29 VanDerWaalsContact C-N 3.27Å; Q27-L29 PolarHBondContact O-N 3.34Å; Q27-A30 WeakPolarHBondContact O-CB 3.48Å; Q27-A30 PolarHBondContact O-N 3.34Å; Q27-A30 VanDerWaalsContact O-N 3.07Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.37Å; Q27-E31 PolarHBondContact NE2-OE1 3.04Å; Q27-E31 WeakPolarHBondContact O-CG 3.3Å; Q27-E31 PolarHBondContact O-N 3.04Å
28E97.9Very high97.2Very high90 Ų9091.4 Ų91.442%0.42146%0.463SS..Hα-helixtrans-57.5-40.6177.9-69.3170.1179.300111.9K24 R25 T32K24-E28 WeakPolarHBondContact CE-OE1 3.45Å; K24-E28 IonicContact NZ-OE1 2.9Å; K24-E28 WeakPolarHBondContact O-CG 3.39Å; K24-E28 PolarHBondContact O-N 2.95Å; R25-E28 PolarHBondContact O-N 3.4Å; E28-T32 WeakPolarHBondContact O-CB 3.47Å; E28-T32 PolarHBondContact O-N 2.57Å; E28-T32 PolarHBondContact O-OG1 3.46Å
29L98.1Very high97.4Very high106 Ų10690.9 Ų90.956%0.55546%0.46SS*.Hα-helixtrans-67-40.1175.5-72.5174.6000112.4R25 Q27 T32 L33R25-L29 HydrophobicContact CG-CD1 4.33Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.47Å; R25-L29 PolarHBondContact O-N 3.43Å; Q27-L29 VanDerWaalsContact C-N 3.27Å; Q27-L29 PolarHBondContact O-N 3.34Å; L29-T32 PolarHBondContact O-N 3.2Å; L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 PolarHBondContact O-N 3.37Å
30A96.6Very high97.6Very high57 Ų5789.1 Ų89.147%0.47145%0.451SS..Hα-helixtrans-64.1-41.5177.100000111.7K26 Q27 L33 A34K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 3.31Å; Q27-A30 WeakPolarHBondContact O-CB 3.48Å; Q27-A30 PolarHBondContact O-N 3.34Å; Q27-A30 VanDerWaalsContact O-N 3.07Å; A30-L33 PolarHBondContact O-N 2.98Å; A30-A34 WeakPolarHBondContact O-CB 3.42Å; A30-A34 PolarHBondContact O-N 3.02Å
31E96.6Very high97.7Very high101 Ų10189.3 Ų89.347%0.47244%0.439SS..Hα-helixtrans-63.9-44.2175.1-70.8173.2-165.100111.5Q27 A34 N35Q27-E31 WeakPolarHBondContact CG-OE1 3.37Å; Q27-E31 PolarHBondContact NE2-OE1 3.04Å; Q27-E31 WeakPolarHBondContact O-CG 3.3Å; Q27-E31 PolarHBondContact O-N 3.04Å; E31-A34 PolarHBondContact O-N 3.03Å; E31-N35 WeakPolarHBondContact O-CB 3.41Å; E31-N35 VanDerWaalsContact O-CG 3.31Å; E31-N35 PolarHBondContact O-N 3.38Å; E31-N35 PolarHBondContact O-ND2 3.01Å
32T97.9Very high97.8Very high74 Ų7487.1 Ų87.145%0.45444%0.439SS..Hα-helixtrans-62-44.8176.7-56.80000111.5E28 L29 N35 L36E28-T32 WeakPolarHBondContact O-CB 3.47Å; E28-T32 PolarHBondContact O-N 2.57Å; E28-T32 PolarHBondContact O-OG1 3.46Å; L29-T32 PolarHBondContact O-N 3.2Å; T32-N35 WeakPolarHBondContact O-CB 3.49Å; T32-N35 PolarHBondContact O-N 3.18Å; T32-L36 HydrophobicContact CG2-CD1 4.35Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 3.31Å
33L97.7Very high97.8Very high88 Ų8889 Ų8946%0.46144%0.443SS..Hα-helixtrans-59-50.8176.5178.564.4000111L29 A30 N35 L36 E37L29-L33 WeakPolarHBondContact O-CB 3.41Å; L29-L33 PolarHBondContact O-N 3.37Å; A30-L33 PolarHBondContact O-N 2.98Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.41Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-L36 VanDerWaalsContact O-N 3.09Å; L33-E37 HydrophobicContact CD1-CG 4.28Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.16Å; L33-E37 PolarHBondContact O-N 3.02Å
34A97.4Very high97.8Very high19 Ų1985.4 Ų85.416%0.15742%0.421CS..Hα-helixtrans-61.1-36.5-18000000112A30 E31 R38 A99A30-A34 WeakPolarHBondContact O-CB 3.42Å; A30-A34 PolarHBondContact O-N 3.02Å; E31-A34 PolarHBondContact O-N 3.03Å; A34-R38 WeakPolarHBondContact O-CB 3.47Å; A34-R38 VanDerWaalsContact O-CG 3.3Å; A34-R38 WeakPolarHBondContact O-CG 3.46Å; A34-R38 PolarHBondContact O-N 3.44Å; A34-R38 VanDerWaalsContact O-N 3.09Å; A34-R38 PolarHBondContact O-NE 3.46Å; A34-A99 HydrophobicContact CB-CB 4.21Å
35N97.7Very high97.7Very high76 Ų7679.8 Ų79.841%0.40640%0.4SS..Hα-helixtrans-63-44.2173.8-77.4-31.9000112.4E31 T32 L33 R38 Q39E31-N35 WeakPolarHBondContact O-CB 3.41Å; E31-N35 VanDerWaalsContact O-CG 3.31Å; E31-N35 PolarHBondContact O-N 3.38Å; E31-N35 PolarHBondContact O-ND2 3.01Å; T32-N35 WeakPolarHBondContact O-CB 3.49Å; T32-N35 PolarHBondContact O-N 3.18Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.41Å; N35-R38 PolarHBondContact O-N 3.01Å; N35-R38 PolarHBondContact OD1-NH2 3.11Å; N35-Q39 WeakPolarHBondContact O-CG 3.49Å; N35-Q39 PolarHBondContact O-N 3.01Å; N35-Q39 VanDerWaalsContact O-N 3.08Å
36L98.3Very high97.6Very high88 Ų8874.3 Ų74.346%0.46139%0.388SS..Hα-helixtrans-65.9-44.1178.2-70.8172.1000111.7T32 L33 R38 Q39 I40T32-L36 HydrophobicContact CG2-CD1 4.35Å; T32-L36 WeakPolarHBondContact O-CG 3.43Å; T32-L36 PolarHBondContact O-N 3.31Å; L33-L36 PolarHBondContact O-N 3.17Å; L33-L36 VanDerWaalsContact O-N 3.09Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.07Å; L36-Q39 WeakPolarHBondContact O-CB 3.17Å; L36-Q39 PolarHBondContact O-N 2.89Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 3.39Å
37E98Very high97.6Very high12 Ų1270.6 Ų70.66%0.05637%0.37CS..Hα-helixtrans-60.6-41.1177.9-69.9180138.100112L33 I40 Y41 S93 T95 S96 A99L33-E37 HydrophobicContact CD1-CG 4.28Å; L33-E37 HydrophobicContact CG-CG 4.46Å; L33-E37 WeakPolarHBondContact O-CG 3.16Å; L33-E37 PolarHBondContact O-N 3.02Å; E37-I40 PolarHBondContact O-N 3.38Å; E37-Y41 PolarHBondContact O-N 3Å; E37-S93 WeakPolarHBondContact OE1-CB 3.32Å; E37-S93 PolarHBondContact OE1-OG 2.96Å; E37-T95 WeakPolarHBondContact OE1-CB 3.19Å; E37-T95 PolarHBondContact OE1-OG1 2.86Å; E37-T95 PolarHBondContact OE2-OG1 2.92Å; E37-S96 PolarHBondContact OE1-N 3.01Å; E37-A99 HydrophobicContact CB-CB 4.02Å; E37-A99 WeakPolarHBondContact OE2-CB 3.26Å
38R97.5Very high97.5Very high57 Ų5765.4 Ų65.422%0.21535%0.346CS..Hα-helixtrans-61.6-42.7172.8-75.9-174.9-73.5-93.86.9112.7A34 N35 L36 Y41 A42 A99A34-R38 WeakPolarHBondContact O-CB 3.47Å; A34-R38 VanDerWaalsContact O-CG 3.3Å; A34-R38 WeakPolarHBondContact O-CG 3.46Å; A34-R38 PolarHBondContact O-N 3.44Å; A34-R38 VanDerWaalsContact O-N 3.09Å; A34-R38 PolarHBondContact O-NE 3.46Å; N35-R38 PolarHBondContact O-N 3.01Å; N35-R38 PolarHBondContact OD1-NH2 3.11Å; L36-R38 VanDerWaalsContact C-N 3.31Å; L36-R38 PolarHBondContact O-N 3.07Å; R38-Y41 PolarHBondContact O-N 3.3Å; R38-A42 PolarHBondContact O-N 3.01Å; R38-A99 WeakPolarHBondContact CD-O 3.38Å; R38-A99 WeakPolarHBondContact CG-O 3.27Å; R38-A99 PolarHBondContact NH1-O 2.98Å
39Q98.1Very high97.3Very high99 Ų9968 Ų6846%0.46336%0.358SS..Hα-helixtrans-64.7-43.8177.9-73.9173.644.700111.6N35 L36 Y41 A42 F43N35-Q39 WeakPolarHBondContact O-CG 3.49Å; N35-Q39 PolarHBondContact O-N 3.01Å; N35-Q39 VanDerWaalsContact O-N 3.08Å; L36-Q39 WeakPolarHBondContact O-CB 3.17Å; L36-Q39 PolarHBondContact O-N 2.89Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-Y41 PolarHBondContact O-N 3.43Å; Q39-A42 PolarHBondContact O-N 3.37Å; Q39-F43 HydrophobicContact CB-CD2 4.44Å; Q39-F43 HydrophobicContact CB-CE2 4.33Å; Q39-F43 WeakPolarHBondContact O-CB 3.25Å; Q39-F43 VanDerWaalsContact O-CD2 3.23Å; Q39-F43 WeakPolarHBondContact O-CD2 3.35Å; Q39-F43 WeakPolarHBondContact O-CG 3.24Å; Q39-F43 PolarHBondContact O-N 3.25Å
40I98.3Very high97.1Very high72 Ų7268.5 Ų68.537%0.36936%0.361SS..Hα-helixtrans-57.3-49.7175.2-69.1166000109.6L36 E37 A42 F43 E44 F89L36-I40 WeakPolarHBondContact O-CG1 3.18Å; L36-I40 PolarHBondContact O-N 3.39Å; E37-I40 PolarHBondContact O-N 3.38Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 2.96Å; I40-F43 PolarHBondContact O-N 3.23Å; I40-E44 HydrophobicContact CG2-CG 4.26Å; I40-E44 WeakPolarHBondContact O-CB 3.29Å; I40-E44 VanDerWaalsContact O-CG 3.32Å; I40-E44 WeakPolarHBondContact O-CG 3.42Å; I40-E44 PolarHBondContact O-N 2.7Å; I40-F89 HydrophobicContact CG2-CB 3.68Å
41Y98.1Very high97Very high65 Ų6566.9 Ų66.926%0.25535%0.346SS..Hα-helixtrans-59.2-43.6178.6-174.8-87.6000112.5E37 R38 Q39 G45 E84 R87 S90 V100E37-Y41 PolarHBondContact O-N 3Å; R38-Y41 PolarHBondContact O-N 3.3Å; Q39-Y41 VanDerWaalsContact C-N 3.33Å; Q39-Y41 PolarHBondContact O-N 3.43Å; Y41-G45 PolarHBondContact O-N 2.96Å; Y41-E84 VanDerWaalsContact CE2-OE1 3.29Å; Y41-E84 WeakPolarHBondContact CE2-OE1 3.48Å; Y41-E84 PolarHBondContact OH-OE1 3.39Å; Y41-E84 PolarHBondContact OH-OE2 3.26Å; Y41-R87 VanDerWaalsContact CE2-CD 3.4Å; Y41-R87 VanDerWaalsContact CE2-NE 3.28Å; Y41-R87 PolarHBondContact O-NH1 2.97Å; Y41-S90 WeakPolarHBondContact CA-OG 3.2Å; Y41-V100 HydrophobicContact CD1-CG1 4.02Å; Y41-V100 HydrophobicContact CD1-CG2 4.02Å; Y41-V100 HydrophobicContact CD2-CG1 4.49Å; Y41-V100 HydrophobicContact CD2-CG2 3.8Å; Y41-V100 HydrophobicContact CE1-CG1 3.91Å; Y41-V100 HydrophobicContact CE2-CG1 4.38Å; Y41-V100 HydrophobicContact CE2-CG2 4.42Å; Y41-V100 HydrophobicContact CG-CG1 4.32Å; Y41-V100 HydrophobicContact CG-CG2 3.57Å
42A97.5Very high96.6Very high62 Ų6264 Ų6451%0.51233%0.332SS..Hα-helixtrans-62.3-49.2176.400000111.6R38 Q39 I40 E44 G45 S46R38-A42 PolarHBondContact O-N 3.01Å; Q39-A42 PolarHBondContact O-N 3.37Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 2.96Å; A42-E44 PolarHBondContact O-N 3.38Å; A42-G45 PolarHBondContact O-N 3.01Å; A42-G45 VanDerWaalsContact O-N 3.11Å; A42-S46 PolarHBondContact O-N 3.12Å
43F98.3Very high96.1Very high137 Ų13764.5 Ų64.560%0.60133%0.33SS*.Hα-helixtrans-65-37.3-179.6-74.5-43.2000113.5Q39 I40 G45 S46 Y47Q39-F43 HydrophobicContact CB-CD2 4.44Å; Q39-F43 HydrophobicContact CB-CE2 4.33Å; Q39-F43 WeakPolarHBondContact O-CB 3.25Å; Q39-F43 VanDerWaalsContact O-CD2 3.23Å; Q39-F43 WeakPolarHBondContact O-CD2 3.35Å; Q39-F43 WeakPolarHBondContact O-CG 3.24Å; Q39-F43 PolarHBondContact O-N 3.25Å; I40-F43 PolarHBondContact O-N 3.23Å; F43-G45 PolarHBondContact O-N 3.17Å; F43-S46 WeakPolarHBondContact CA-OG 3.36Å; F43-S46 PolarHBondContact O-N 2.96Å; F43-S46 PolarHBondContact O-OG 2.65Å; F43-Y47 WeakPolarHBondContact O-CB 3.3Å; F43-Y47 PolarHBondContact O-N 3.49Å
44E97.4Very high95.7Very high12 Ų1267 Ų676%0.05633%0.334CS..Hα-helixtrans-60.2-38.4173.3-79-174.3131.200111.6I40 A42 Y47 L48 R87 L88 F89 S90I40-E44 HydrophobicContact CG2-CG 4.26Å; I40-E44 WeakPolarHBondContact O-CB 3.29Å; I40-E44 VanDerWaalsContact O-CG 3.32Å; I40-E44 WeakPolarHBondContact O-CG 3.42Å; I40-E44 PolarHBondContact O-N 2.7Å; A42-E44 PolarHBondContact O-N 3.38Å; E44-Y47 PolarHBondContact O-N 3.18Å; E44-L48 WeakPolarHBondContact O-CB 3.33Å; E44-L48 VanDerWaalsContact O-CG 3.22Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.1Å; E44-R87 WeakPolarHBondContact OE1-CA 3.41Å; E44-R87 WeakPolarHBondContact OE2-CB 3.49Å; E44-L88 PolarHBondContact OE1-N 3.4Å; E44-F89 HydrophobicContact CG-CB 4.36Å; E44-F89 HydrophobicContact CG-CD2 4.13Å; E44-F89 VanDerWaalsContact OE1-CA 3.27Å; E44-F89 WeakPolarHBondContact OE1-CA 3.49Å; E44-F89 WeakPolarHBondContact OE1-CB 3.22Å; E44-F89 WeakPolarHBondContact OE1-CD2 3.38Å; E44-F89 PolarHBondContact OE1-N 3.05Å; E44-S90 PolarHBondContact OE1-N 3.17Å; E44-S90 VanDerWaalsContact OE1-N 3.12Å; E44-S90 WeakPolarHBondContact OE2-CB 3.25Å; E44-S90 PolarHBondContact OE2-N 3.27Å; E44-S90 PolarHBondContact OE2-OG 3.34Å
45G96Very high95.5Very high13 Ų1366.3 Ų66.313%0.13433%0.33CS..Hα-helixtrans-60.5-55.7178.100000111.1Y41 A42 F43 Y47 L48 E49 R87Y41-G45 PolarHBondContact O-N 2.96Å; A42-G45 PolarHBondContact O-N 3.01Å; A42-G45 VanDerWaalsContact O-N 3.11Å; F43-G45 PolarHBondContact O-N 3.17Å; G45-Y47 VanDerWaalsContact C-N 3.34Å; G45-Y47 PolarHBondContact O-N 3.02Å; G45-L48 PolarHBondContact O-N 3.43Å; G45-E49 WeakPolarHBondContact O-CB 3.16Å; G45-E49 PolarHBondContact O-N 3.15Å; G45-E49 VanDerWaalsContact O-N 3.1Å; G45-R87 VanDerWaalsContact N-NH1 3.2Å
46S96.9Very high95.3Very high53 Ų5362.9 Ų62.937%0.37131%0.311SS..Hα-helixtrans-60.2-43.4177.550.80000112.2A42 F43 L48 E49 D50A42-S46 PolarHBondContact O-N 3.12Å; F43-S46 WeakPolarHBondContact CA-OG 3.36Å; F43-S46 PolarHBondContact O-N 2.96Å; F43-S46 PolarHBondContact O-OG 2.65Å; S46-L48 PolarHBondContact O-N 3.07Å; S46-E49 PolarHBondContact O-N 3.38Å; S46-D50 WeakPolarHBondContact O-CB 3.39Å; S46-D50 VanDerWaalsContact O-CG 3.24Å; S46-D50 PolarHBondContact O-N 2.55Å
47Y97.6Very high95.2Very high86 Ų8663.8 Ų63.834%0.33732%0.315SS..Hα-helixtrans-62.3-45.3-178.6176.6-99.7000112F43 E44 G45 T51 N56 I57F43-Y47 WeakPolarHBondContact O-CB 3.3Å; F43-Y47 PolarHBondContact O-N 3.49Å; E44-Y47 PolarHBondContact O-N 3.18Å; G45-Y47 VanDerWaalsContact C-N 3.34Å; G45-Y47 PolarHBondContact O-N 3.02Å; Y47-T51 HydrophobicContact CD2-CG2 3.87Å; Y47-T51 HydrophobicContact CE2-CG2 3.65Å; Y47-T51 HydrophobicContact CG-CG2 4.43Å; Y47-T51 VanDerWaalsContact O-CB 3.3Å; Y47-T51 WeakPolarHBondContact O-CB 3.48Å; Y47-T51 VanDerWaalsContact O-CG2 3.25Å; Y47-T51 WeakPolarHBondContact O-CG2 3.5Å; Y47-T51 PolarHBondContact O-N 3.22Å; Y47-T51 PolarHBondContact O-OG1 2.96Å; Y47-N56 HydrophobicContact CE1-CB 3.94Å; Y47-I57 HydrophobicContact CE1-CG2 4.05Å
48L95.3Very high95Very high6 Ų665.4 Ų65.43%0.03132%0.324CS..Hα-helixtrans-73.1-31.9-177.2-65.8173.6000112.6E44 G45 S46 Q52 I58 F82 E86 R87E44-L48 WeakPolarHBondContact O-CB 3.33Å; E44-L48 VanDerWaalsContact O-CG 3.22Å; E44-L48 WeakPolarHBondContact O-CG 3.47Å; E44-L48 PolarHBondContact O-N 3.1Å; G45-L48 PolarHBondContact O-N 3.43Å; S46-L48 PolarHBondContact O-N 3.07Å; L48-Q52 WeakPolarHBondContact O-CB 3.43Å; L48-Q52 PolarHBondContact O-N 3.28Å; L48-I58 HydrophobicContact CD2-CB 4.42Å; L48-I58 HydrophobicContact CD2-CG1 3.57Å; L48-F82 HydrophobicContact CB-CD2 3.54Å; L48-F82 HydrophobicContact CB-CE2 4.03Å; L48-F82 HydrophobicContact CB-CG 4.37Å; L48-F82 HydrophobicContact CD1-CD2 3.62Å; L48-F82 HydrophobicContact CD1-CE2 3.33Å; L48-F82 HydrophobicContact CD1-CZ 4.49Å; L48-F82 HydrophobicContact CG-CD2 4.21Å; L48-F82 HydrophobicContact CG-CE2 4.3Å; L48-E86 HydrophobicContact CD1-CB 4.09Å; L48-R87 HydrophobicContact CD1-CG 4.49Å
49E94.3Very high94.7Very high144 Ų14466.2 Ų66.267%0.67333%0.327SS*.Hα-helixtrans-66-51.3172.7-175163.2-153.200111.4G45 S46 T51G45-E49 WeakPolarHBondContact O-CB 3.16Å; G45-E49 PolarHBondContact O-N 3.15Å; G45-E49 VanDerWaalsContact O-N 3.1Å; S46-E49 PolarHBondContact O-N 3.38Å; E49-T51 PolarHBondContact O-N 2.98Å
50D94.4Very high94.4Very high117 Ų11762.8 Ų62.863%0.62632%0.318SS*.Hα-helixtrans-69.4-35.7-174.7-69.8-21.1000113S46S46-D50 WeakPolarHBondContact O-CB 3.39Å; S46-D50 VanDerWaalsContact O-CG 3.24Å; S46-D50 PolarHBondContact O-N 2.55Å
51T92.9Very high94.2Very high24 Ų2466 Ų6615%0.14733%0.325CS..Hα-helixtrans-91.7-6.2-172.662.70000114.4Y47 E49 M53 Y54 G55 N56Y47-T51 HydrophobicContact CD2-CG2 3.87Å; Y47-T51 HydrophobicContact CE2-CG2 3.65Å; Y47-T51 HydrophobicContact CG-CG2 4.43Å; Y47-T51 VanDerWaalsContact O-CB 3.3Å; Y47-T51 WeakPolarHBondContact O-CB 3.48Å; Y47-T51 VanDerWaalsContact O-CG2 3.25Å; Y47-T51 WeakPolarHBondContact O-CG2 3.5Å; Y47-T51 PolarHBondContact O-N 3.22Å; Y47-T51 PolarHBondContact O-OG1 2.96Å; E49-T51 PolarHBondContact O-N 2.98Å; T51-M53 PolarHBondContact O-N 3.34Å; T51-Y54 PolarHBondContact O-N 3.41Å; T51-Y54 VanDerWaalsContact O-N 3.1Å; T51-G55 PolarHBondContact O-N 2.51Å; T51-N56 WeakPolarHBondContact OG1-CB 3.45Å; T51-N56 PolarHBondContact OG1-ND2 2.99Å
52Q90.1Very high93.7Very high41 Ų4168.4 Ų68.419%0.19234%0.343CS..THydrogen-bonded Turntrans-52.8-31.7-173.4-158.6-166.5-89.800113.9L48 R80L48-Q52 WeakPolarHBondContact O-CB 3.43Å; L48-Q52 PolarHBondContact O-N 3.28Å; Q52-R80 WeakPolarHBondContact CG-O 3.45Å; Q52-R80 VanDerWaalsContact NE2-C 3.3Å; Q52-R80 PolarHBondContact NE2-O 3.41Å; Q52-R80 VanDerWaalsContact NE2-O 3.15Å; Q52-R80 PolarHBondContact OE1-O 3.43Å
53M87.3Confident93.1Very high83 Ų8367.6 Ų67.641%0.40933%0.327SS..THydrogen-bonded Turntrans-86.1-22.8-173.9-64-61.4-76.800113.8T51 R63 N67T51-M53 PolarHBondContact O-N 3.34Å; M53-R63 WeakPolarHBondContact O-CD 3.32Å; M53-R63 PolarHBondContact O-NH1 3.39Å; M53-N67 PolarHBondContact O-ND2 2.98Å
54Y88.9Confident92.6Very high140 Ų14068.1 Ų68.155%0.54933%0.326SS..THydrogen-bonded Turntrans-104.4-22.8-175-50.8-68.9000112.2T51 R63 Y64T51-Y54 PolarHBondContact O-N 3.41Å; T51-Y54 VanDerWaalsContact O-N 3.1Å; Y54-R63 CarbonylContact O-C 3.41Å; Y54-Y64 WeakPolarHBondContact O-CA 3.41Å; Y54-Y64 VanDerWaalsContact O-CB 3.27Å; Y54-Y64 WeakPolarHBondContact O-CB 3.34Å; Y54-Y64 PolarHBondContact O-N 3.02Å
55G91.8Very high91.9Very high6 Ų673.3 Ų73.36%0.06235%0.353CS..  trans105.9156.3-166.900000110T51 G60 W61T51-G55 PolarHBondContact O-N 2.51Å; G55-G60 CarbonylContact C-O 3.56Å; G55-G60 VanDerWaalsContact CA-O 3.27Å; G55-G60 WeakPolarHBondContact CA-O 3.16Å; G55-W61 WeakPolarHBondContact O-CZ3 3.42Å
56N94.2Very high91.1Very high3 Ų376.5 Ų76.52%0.01637%0.37CS..BIsolated β-bridgetrans-158.3178.2-174.862.431.7000111.3Y47 T51 I58 R59 G60Y47-N56 HydrophobicContact CE1-CB 3.94Å; T51-N56 WeakPolarHBondContact OG1-CB 3.45Å; T51-N56 PolarHBondContact OG1-ND2 2.99Å; N56-I58 PolarHBondContact O-N 3.41Å; N56-I58 VanDerWaalsContact O-N 3.17Å; N56-I58 WeakPolarHBondContact OD1-CB 3.3Å; N56-I58 PolarHBondContact OD1-N 2.93Å; N56-R59 PolarHBondContact O-N 3.4Å; N56-R59 PolarHBondContact OD1-N 3.29Å; N56-G60 PolarHBondContact N-O 2.86Å; N56-G60 VanDerWaalsContact N-O 3.07Å; N56-G60 CarbonylContact O-C 3.35Å; N56-G60 VanDerWaalsContact O-CA 3.26Å; N56-G60 WeakPolarHBondContact O-CA 3.44Å; N56-G60 PolarHBondContact O-N 3.09Å
57I95.8Very high89.5Confident107 Ų10777.1 Ų77.155%0.54937%0.369SS..THydrogen-bonded Turntrans-61.8-23.8-178.2-168.1164.5000114Y47Y47-I57 HydrophobicContact CE1-CG2 4.05Å
58I94.4Very high88Confident46 Ų4681.5 Ų81.524%0.23639%0.393CS..THydrogen-bonded Turntrans-82.1-43-178.3-47.9-57.9000111.4L48 N56 E86 L88L48-I58 HydrophobicContact CD2-CB 4.42Å; L48-I58 HydrophobicContact CD2-CG1 3.57Å; N56-I58 PolarHBondContact O-N 3.41Å; N56-I58 VanDerWaalsContact O-N 3.17Å; N56-I58 WeakPolarHBondContact OD1-CB 3.3Å; N56-I58 PolarHBondContact OD1-N 2.93Å; I58-E86 HydrophobicContact CG2-CB 4.07Å; I58-E86 HydrophobicContact CG2-CG 4.31Å; I58-L88 HydrophobicContact CD1-CB 4.05Å; I58-L88 HydrophobicContact CD1-CD1 3.57Å; I58-L88 HydrophobicContact CD1-CG 3.79Å; I58-L88 HydrophobicContact CG2-CD1 4.47Å
59R91.1Very high86.6Confident75 Ų7589.3 Ų89.328%0.28343%0.426SS..THydrogen-bonded Turntrans-103.6-7.8-173.9-64.8-177.9177.7166.9-2.4113.9N56 N79 R80 K81 E86N56-R59 PolarHBondContact O-N 3.4Å; N56-R59 PolarHBondContact OD1-N 3.29Å; R59-N79 PolarHBondContact NH1-O 3.09Å; R59-N79 PolarHBondContact NH2-O 3.1Å; R59-N79 VanDerWaalsContact NH2-O 3.11Å; R59-R80 PolarHBondContact NH1-O 2.7Å; R59-R80 PolarHBondContact NH2-O 3.11Å; R59-K81 PolarHBondContact NH2-O 2.84Å; R59-K81 VanDerWaalsContact NH2-O 3.09Å; R59-E86 IonicContact CZ-OE1 3.81Å; R59-E86 IonicContact CZ-OE2 3.54Å; R59-E86 IonicContact NE-OE1 3.48Å; R59-E86 PolarHBondContact NE-OE1 3.05Å; R59-E86 IonicContact NE-OE2 3.93Å; R59-E86 IonicContact NH2-OE1 2.8Å; R59-E86 PolarHBondContact NH2-OE1 3.22Å; R59-E86 IonicContact NH2-OE2 3.28Å; R59-E86 PolarHBondContact NH2-OE2 3.37Å
60G92.6Very high84.8Confident26 Ų2690.4 Ų90.427%0.26844%0.437SS..BIsolated β-bridgetrans89.8172.6-174.800000113.8G55 N56G55-G60 CarbonylContact C-O 3.56Å; G55-G60 VanDerWaalsContact CA-O 3.27Å; G55-G60 WeakPolarHBondContact CA-O 3.16Å; N56-G60 PolarHBondContact N-O 2.86Å; N56-G60 VanDerWaalsContact N-O 3.07Å; N56-G60 CarbonylContact O-C 3.35Å; N56-G60 VanDerWaalsContact O-CA 3.26Å; N56-G60 WeakPolarHBondContact O-CA 3.44Å; N56-G60 PolarHBondContact O-N 3.09Å
61W93.6Very high83.1Confident139 Ų13990.1 Ų90.153%0.52744%0.444SS..SBendtrans-102.47.8-176.2-62.4104.2000113.6G55 R63 Y64 L65G55-W61 WeakPolarHBondContact O-CZ3 3.42Å; W61-R63 PolarHBondContact O-N 3.49Å; W61-Y64 VanDerWaalsContact O-CB 3.26Å; W61-Y64 WeakPolarHBondContact O-CB 3.43Å; W61-Y64 PolarHBondContact O-N 3.08Å; W61-L65 PolarHBondContact O-N 3.36Å
62D86.6Confident81.4Confident117 Ų11794 Ų9463%0.62646%0.464SS*.Hα-helixtrans-55.6-40.2-179.4-64.3-47.9000111.7Y64 L65 T66D62-Y64 PolarHBondContact O-N 3.29Å; D62-L65 PolarHBondContact O-N 2.97Å; D62-L65 VanDerWaalsContact O-N 3.14Å; D62-T66 WeakPolarHBondContact O-CG2 3.27Å; D62-T66 PolarHBondContact O-N 3.4Å; D62-T66 PolarHBondContact O-OG1 2.79Å
63R85Confident79.9Confident45 Ų4595.8 Ų95.817%0.1748%0.481CS..Hα-helixtrans-63.5-30.7178.6-161.5173.8-152.5-58.6-21.3112.6M53 Y54 W61 T66 N67 D76M53-R63 WeakPolarHBondContact O-CD 3.32Å; M53-R63 PolarHBondContact O-NH1 3.39Å; Y54-R63 CarbonylContact O-C 3.41Å; W61-R63 PolarHBondContact O-N 3.49Å; R63-T66 WeakPolarHBondContact CA-OG1 3.23Å; R63-N67 PolarHBondContact NH1-ND2 2.9Å; R63-N67 VanDerWaalsContact NH1-ND2 3.18Å; R63-N67 PolarHBondContact NH1-OD1 2.7Å; R63-N67 WeakPolarHBondContact O-CB 3.4Å; R63-N67 VanDerWaalsContact O-CG 3.27Å; R63-N67 PolarHBondContact O-N 3.09Å; R63-D76 IonicContact CZ-OD2 3.43Å; R63-D76 IonicContact NE-OD2 3.29Å; R63-D76 PolarHBondContact NE-OD2 2.72Å; R63-D76 IonicContact NH2-OD2 2.75Å; R63-D76 PolarHBondContact NH2-OD2 3.18Å
64Y87.9Confident78.5Confident148 Ų148100.9 Ų100.958%0.5850%0.501SS*.Hα-helixtrans-67.9-41.2177-177.1-106.1000110Y54 W61 D62Y54-Y64 WeakPolarHBondContact O-CA 3.41Å; Y54-Y64 VanDerWaalsContact O-CB 3.27Å; Y54-Y64 WeakPolarHBondContact O-CB 3.34Å; Y54-Y64 PolarHBondContact O-N 3.02Å; W61-Y64 VanDerWaalsContact O-CB 3.26Å; W61-Y64 WeakPolarHBondContact O-CB 3.43Å; W61-Y64 PolarHBondContact O-N 3.08Å; D62-Y64 PolarHBondContact O-N 3.29Å
65L84.1Confident77Confident120 Ų120101.1 Ų101.163%0.62851%0.512SS*.Hα-helixtrans-72-37.6177.1-58177.1000112.4W61 D62W61-L65 PolarHBondContact O-N 3.36Å; D62-L65 PolarHBondContact O-N 2.97Å; D62-L65 VanDerWaalsContact O-N 3.14Å
66T77.7Confident75.6Confident81 Ų81102.9 Ų102.950%0.49752%0.52SS..Hα-helixtrans-87.9-24.1-176.263.50000114.3D62 R63 Q68 K69D62-T66 WeakPolarHBondContact O-CG2 3.27Å; D62-T66 PolarHBondContact O-N 3.4Å; D62-T66 PolarHBondContact O-OG1 2.79Å; R63-T66 WeakPolarHBondContact CA-OG1 3.23Å; T66-Q68 PolarHBondContact O-N 2.98Å; T66-Q68 VanDerWaalsContact O-N 3.11Å; T66-K69 CarbonylContact O-C 3.36Å; T66-K69 PolarHBondContact O-N 3.21Å
67N64.8Low74Confident65 Ų65111.3 Ų111.335%0.34855%0.551SS.*THydrogen-bonded Turntrans-61.4-18.2178.3-96.5-14.8000113M53 R63 K69M53-N67 PolarHBondContact O-ND2 2.98Å; R63-N67 PolarHBondContact NH1-ND2 2.9Å; R63-N67 VanDerWaalsContact NH1-ND2 3.18Å; R63-N67 PolarHBondContact NH1-OD1 2.7Å; R63-N67 WeakPolarHBondContact O-CB 3.4Å; R63-N67 VanDerWaalsContact O-CG 3.27Å; R63-N67 PolarHBondContact O-N 3.09Å; N67-K69 PolarHBondContact O-N 2.94Å
68Q64.6Low72.5Confident179 Ų179117 Ų11784%0.83657%0.566SS**THydrogen-bonded Turntrans-67.6-21.4169.8-73.7-155.417.500113.3T66T66-Q68 PolarHBondContact O-N 2.98Å; T66-Q68 VanDerWaalsContact O-N 3.11Å
69K66.6Low71Confident169 Ų169119.2 Ų119.274%0.73558%0.578SS**SBendtrans-120.991.5-177.4-61.7178.6-175.4176.90107.9T66 N67 S71T66-K69 CarbonylContact O-C 3.36Å; T66-K69 PolarHBondContact O-N 3.21Å; N67-K69 PolarHBondContact O-N 2.94Å; K69-S71 PolarHBondContact O-N 2.9Å
70N56.2Low70.2Confident168 Ų168118.1 Ų118.190%0.89857%0.574SS**  trans-4162.6-177.2-99.2-3.3000117.4
71S58.6Low69.7Low110 Ų110124.9 Ų124.977%0.76960%0.596SS**  trans-115.692.6179.7-168.90000109.7K69 S73K69-S71 PolarHBondContact O-N 2.9Å; S71-S73 PolarHBondContact O-N 3.33Å
72N57.4Low69.3Low106 Ų106121.3 Ų121.357%0.56758%0.584SS**  trans-96.492.5-173.6-142.8-1.8000109R80N72-R80 PolarHBondContact OD1-NH2 3.4Å
73S57.9Low69.5Low78 Ų78120.8 Ų120.855%0.54558%0.577SS.*  trans-77.4138.1177.964.70000111.3S71 N75 D76S71-S73 PolarHBondContact O-N 3.33Å; S73-N75 PolarHBondContact O-N 3.4Å; S73-D76 PolarHBondContact O-N 3.25Å
74K58.4Low69.9Low190 Ų190123.4 Ų123.483%0.82659%0.59SS**THydrogen-bonded Turntrans-61.7-15.7-171.8-80.8175.4177.1168.20115.3
75N57.3Low70.1Confident146 Ų146119.2 Ų119.278%0.78159%0.587SS**THydrogen-bonded Turntrans-75.7-21.2178.9-108.75.5000113.6S73 R77S73-N75 PolarHBondContact O-N 3.4Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 2.63Å
76D62Low70.6Confident43 Ų43114.9 Ų114.923%0.2356%0.563CS.*G310 helixtrans-70.4-25.4-175.3-171.628.1000113.1R63 S73 R78 N79 R80R63-D76 IonicContact CZ-OD2 3.43Å; R63-D76 IonicContact NE-OD2 3.29Å; R63-D76 PolarHBondContact NE-OD2 2.72Å; R63-D76 IonicContact NH2-OD2 2.75Å; R63-D76 PolarHBondContact NH2-OD2 3.18Å; S73-D76 PolarHBondContact O-N 3.25Å; D76-R78 VanDerWaalsContact C-N 3.35Å; D76-R78 PolarHBondContact O-N 2.99Å; D76-N79 PolarHBondContact O-N 3.41Å; D76-R80 WeakPolarHBondContact O-CG 3.44Å; D76-R80 PolarHBondContact O-N 3.12Å; D76-R80 IonicContact OD2-CZ 2.96Å; D76-R80 IonicContact OD2-NE 3.2Å; D76-R80 PolarHBondContact OD2-NE 3.23Å; D76-R80 IonicContact OD2-NH2 3.28Å; D76-R80 PolarHBondContact OD2-NH2 3.46Å
77R61.9Low71.6Confident179 Ų179111.8 Ų111.868%0.67554%0.543SS*.G310 helixtrans-63.9-33.8-173.2-74.4-176.4-179.3171.5-1.6114.4N75N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 2.63Å
78R64.2Low73.1Confident228 Ų228113.4 Ų113.486%0.8655%0.55SS**G310 helixtrans-83-22-179.9-61.6-176.2-161.61724.9112.6D76 R80D76-R78 VanDerWaalsContact C-N 3.35Å; D76-R78 PolarHBondContact O-N 2.99Å; R78-R80 VanDerWaalsContact C-N 3.3Å
79N63.3Low74.7Confident92 Ų92110.1 Ų110.149%0.49253%0.534SS..G310 helixtrans-89.35.1177.3-109.442.6000113R59 D76R59-N79 PolarHBondContact NH1-O 3.09Å; R59-N79 PolarHBondContact NH2-O 3.1Å; R59-N79 VanDerWaalsContact NH2-O 3.11Å; D76-N79 PolarHBondContact O-N 3.41Å
80R73.4Confident76.2Confident52 Ų52102.4 Ų102.420%0.19650%0.501CS..  trans-72.1-60179.5-86.6175.8-163.1-170.58.3111.3Q52 R59 N72 D76 R78 F82Q52-R80 WeakPolarHBondContact CG-O 3.45Å; Q52-R80 VanDerWaalsContact NE2-C 3.3Å; Q52-R80 PolarHBondContact NE2-O 3.41Å; Q52-R80 VanDerWaalsContact NE2-O 3.15Å; Q52-R80 PolarHBondContact OE1-O 3.43Å; R59-R80 PolarHBondContact NH1-O 2.7Å; R59-R80 PolarHBondContact NH2-O 3.11Å; N72-R80 PolarHBondContact OD1-NH2 3.4Å; D76-R80 WeakPolarHBondContact O-CG 3.44Å; D76-R80 PolarHBondContact O-N 3.12Å; D76-R80 IonicContact OD2-CZ 2.96Å; D76-R80 IonicContact OD2-NE 3.2Å; D76-R80 PolarHBondContact OD2-NE 3.23Å; D76-R80 IonicContact OD2-NH2 3.28Å; D76-R80 PolarHBondContact OD2-NH2 3.46Å; R78-R80 VanDerWaalsContact C-N 3.3Å; R80-F82 PolarHBondContact O-N 3.26Å
81K81.9Confident78.1Confident168 Ų168100.3 Ų100.373%0.7348%0.484SS*.SBendtrans-52.6133.5-170.2-59-174179.2-171.20113.4R59R59-K81 PolarHBondContact NH2-O 2.84Å; R59-K81 VanDerWaalsContact NH2-O 3.09Å
82F86Confident80Confident63 Ų6399.8 Ų99.828%0.27648%0.48SS..  trans-50.4136.4167.2164.1-110.3000110.8L48 R80 R87L48-F82 HydrophobicContact CB-CD2 3.54Å; L48-F82 HydrophobicContact CB-CE2 4.03Å; L48-F82 HydrophobicContact CB-CG 4.37Å; L48-F82 HydrophobicContact CD1-CD2 3.62Å; L48-F82 HydrophobicContact CD1-CE2 3.33Å; L48-F82 HydrophobicContact CD1-CZ 4.49Å; L48-F82 HydrophobicContact CG-CD2 4.21Å; L48-F82 HydrophobicContact CG-CE2 4.3Å; R80-F82 PolarHBondContact O-N 3.26Å; F82-R87 HydrophobicContact CE2-CG 4.05Å; F82-R87 HydrophobicContact CZ-CG 3.94Å
83K91.3Very high81.9Confident107 Ų10796.4 Ų96.447%0.46547%0.465SS..  trans-122.5143.7174.7-65.3177.2-177.4172.70110A85 E86K83-A85 PolarHBondContact O-N 2.87Å; K83-E86 HydrophobicContact CB-CG 4.18Å; K83-E86 PolarHBondContact N-OE2 3.11Å; K83-E86 VanDerWaalsContact O-CB 3.3Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.12Å
84E92.4Very high83.8Confident99 Ų9999.6 Ų99.646%0.46348%0.481SS..G310 helixtrans-54.7-29.3174.4-167.757.1-152.900112.8Y41 E86 R87Y41-E84 VanDerWaalsContact CE2-OE1 3.29Å; Y41-E84 WeakPolarHBondContact CE2-OE1 3.48Å; Y41-E84 PolarHBondContact OH-OE1 3.39Å; Y41-E84 PolarHBondContact OH-OE2 3.26Å; E84-E86 PolarHBondContact O-N 3.27Å; E84-E86 VanDerWaalsContact O-N 3.15Å; E84-R87 PolarHBondContact O-N 2.87Å; E84-R87 WeakPolarHBondContact OE1-CD 3.01Å; E84-R87 IonicContact OE1-NE 3.65Å; E84-R87 PolarHBondContact OE1-NE 3.2Å; E84-R87 IonicContact OE2-CZ 2.7Å; E84-R87 IonicContact OE2-NE 3.66Å; E84-R87 PolarHBondContact OE2-NE 3.46Å
85A92.8Very high85.6Confident61 Ų6193.5 Ų93.550%0.50446%0.46SS..G310 helixtrans-62.8-20.8177.400000114.6K83 K91K83-A85 PolarHBondContact O-N 2.87Å; A85-K91 VanDerWaalsContact CA-NZ 3.28Å; A85-K91 WeakPolarHBondContact O-CE 3.27Å; A85-K91 PolarHBondContact O-NZ 2.84Å
86E94.8Very high87.5Confident28 Ų2887.1 Ų87.113%0.13143%0.427CS..G310 helixtrans-87.2-4.3-172.8-64177.4155.500113.7L48 I58 R59 K83 E84 L88L48-E86 HydrophobicContact CD1-CB 4.09Å; I58-E86 HydrophobicContact CG2-CB 4.07Å; I58-E86 HydrophobicContact CG2-CG 4.31Å; R59-E86 IonicContact CZ-OE1 3.81Å; R59-E86 IonicContact CZ-OE2 3.54Å; R59-E86 IonicContact NE-OE1 3.48Å; R59-E86 PolarHBondContact NE-OE1 3.05Å; R59-E86 IonicContact NE-OE2 3.93Å; R59-E86 IonicContact NH2-OE1 2.8Å; R59-E86 PolarHBondContact NH2-OE1 3.22Å; R59-E86 IonicContact NH2-OE2 3.28Å; R59-E86 PolarHBondContact NH2-OE2 3.37Å; K83-E86 HydrophobicContact CB-CG 4.18Å; K83-E86 PolarHBondContact N-OE2 3.11Å; K83-E86 VanDerWaalsContact O-CB 3.3Å; K83-E86 WeakPolarHBondContact O-CB 3.48Å; K83-E86 PolarHBondContact O-N 3.12Å; E84-E86 PolarHBondContact O-N 3.27Å; E84-E86 VanDerWaalsContact O-N 3.15Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.7Å
87R96.8Very high89Confident17 Ų1788.2 Ų88.26%0.06444%0.441CS..  trans-7668.6176.8-66.6-174.8-178.8-78.60.1112.7Y41 E44 G45 L48 F82 E84 F89 K91Y41-R87 VanDerWaalsContact CE2-CD 3.4Å; Y41-R87 VanDerWaalsContact CE2-NE 3.28Å; Y41-R87 PolarHBondContact O-NH1 2.97Å; E44-R87 WeakPolarHBondContact OE1-CA 3.41Å; E44-R87 WeakPolarHBondContact OE2-CB 3.49Å; G45-R87 VanDerWaalsContact N-NH1 3.2Å; L48-R87 HydrophobicContact CD1-CG 4.49Å; F82-R87 HydrophobicContact CE2-CG 4.05Å; F82-R87 HydrophobicContact CZ-CG 3.94Å; E84-R87 PolarHBondContact O-N 2.87Å; E84-R87 WeakPolarHBondContact OE1-CD 3.01Å; E84-R87 IonicContact OE1-NE 3.65Å; E84-R87 PolarHBondContact OE1-NE 3.2Å; E84-R87 IonicContact OE2-CZ 2.7Å; E84-R87 IonicContact OE2-NE 3.66Å; E84-R87 PolarHBondContact OE2-NE 3.46Å; R87-F89 VanDerWaalsContact C-N 3.34Å; R87-F89 PolarHBondContact O-N 2.77Å; R87-K91 VanDerWaalsContact O-CB 3.25Å; R87-K91 WeakPolarHBondContact O-CB 3.49Å; R87-K91 WeakPolarHBondContact O-CG 3.26Å; R87-K91 PolarHBondContact O-N 3.29Å
88L97.3Very high90.6Very high98 Ų9882.9 Ų82.951%0.51344%0.435SS..THydrogen-bonded Turntrans-63.5-34.6-173.3-70.8-176.8000113.9E44 I58 E86 S92E44-L88 PolarHBondContact OE1-N 3.4Å; I58-L88 HydrophobicContact CD1-CB 4.05Å; I58-L88 HydrophobicContact CD1-CD1 3.57Å; I58-L88 HydrophobicContact CD1-CG 3.79Å; I58-L88 HydrophobicContact CG2-CD1 4.47Å; E86-L88 VanDerWaalsContact C-N 3.28Å; E86-L88 PolarHBondContact O-N 2.7Å; L88-S92 PolarHBondContact O-N 3.15Å; L88-S92 VanDerWaalsContact O-N 3.07Å
89F97.8Very high92Very high111 Ų11172.4 Ų72.449%0.48740%0.398SS..THydrogen-bonded Turntrans-73.3-45.6-179.8-56.8-81.4000110.8I40 E44 R87 K91 S92I40-F89 HydrophobicContact CG2-CB 3.68Å; E44-F89 HydrophobicContact CG-CB 4.36Å; E44-F89 HydrophobicContact CG-CD2 4.13Å; E44-F89 VanDerWaalsContact OE1-CA 3.27Å; E44-F89 WeakPolarHBondContact OE1-CA 3.49Å; E44-F89 WeakPolarHBondContact OE1-CB 3.22Å; E44-F89 WeakPolarHBondContact OE1-CD2 3.38Å; E44-F89 PolarHBondContact OE1-N 3.05Å; R87-F89 VanDerWaalsContact C-N 3.34Å; R87-F89 PolarHBondContact O-N 2.77Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.84Å; F89-S92 WeakPolarHBondContact O-CB 3.38Å; F89-S92 PolarHBondContact O-N 3.06Å; F89-S92 VanDerWaalsContact O-N 3.1Å; F89-S92 PolarHBondContact O-OG 2.97Å
90S97.8Very high93.3Very high7 Ų769.4 Ų69.45%0.04938%0.383CS..G310 helixtrans-60.2-41.9173.1-66.60000111.1Y41 E44 S92 S93 S96Y41-S90 WeakPolarHBondContact CA-OG 3.2Å; E44-S90 PolarHBondContact OE1-N 3.17Å; E44-S90 VanDerWaalsContact OE1-N 3.12Å; E44-S90 WeakPolarHBondContact OE2-CB 3.25Å; E44-S90 PolarHBondContact OE2-N 3.27Å; E44-S90 PolarHBondContact OE2-OG 3.34Å; S90-S92 PolarHBondContact O-N 3.47Å; S90-S93 PolarHBondContact O-N 3.42Å; S90-S93 VanDerWaalsContact O-O 3.12Å; S90-S96 VanDerWaalsContact O-CB 3.24Å; S90-S96 WeakPolarHBondContact O-CB 3.37Å; S90-S96 PolarHBondContact O-OG 2.98Å
91K97.3Very high94.1Very high123 Ų12370 Ų7054%0.53540%0.395SS..G310 helixtrans-69-12.5178-73.3177.6166.5-148.10114.8A85 R87 F89 S93A85-K91 VanDerWaalsContact CA-NZ 3.28Å; A85-K91 WeakPolarHBondContact O-CE 3.27Å; A85-K91 PolarHBondContact O-NZ 2.84Å; R87-K91 VanDerWaalsContact O-CB 3.25Å; R87-K91 WeakPolarHBondContact O-CB 3.49Å; R87-K91 WeakPolarHBondContact O-CG 3.26Å; R87-K91 PolarHBondContact O-N 3.29Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 2.84Å; K91-S93 VanDerWaalsContact C-N 3.26Å
92S97.4Very high94Very high99 Ų9965 Ų6569%0.69238%0.384SS*.G310 helixtrans-77.8-15.517574.40000112.7L88 F89 S90L88-S92 PolarHBondContact O-N 3.15Å; L88-S92 VanDerWaalsContact O-N 3.07Å; F89-S92 WeakPolarHBondContact O-CB 3.38Å; F89-S92 PolarHBondContact O-N 3.06Å; F89-S92 VanDerWaalsContact O-N 3.1Å; F89-S92 PolarHBondContact O-OG 2.97Å; S90-S92 PolarHBondContact O-N 3.47Å
93S97.4Very high93.2Very high35 Ų3568 Ų6825%0.24540%0.403CS..  trans-110.2129.5173.4-176.40000111.4E37 S90 K91 T95 S96E37-S93 WeakPolarHBondContact OE1-CB 3.32Å; E37-S93 PolarHBondContact OE1-OG 2.96Å; S90-S93 PolarHBondContact O-N 3.42Å; S90-S93 VanDerWaalsContact O-O 3.12Å; K91-S93 VanDerWaalsContact C-N 3.26Å; S93-T95 PolarHBondContact O-N 3.06Å; S93-T95 PolarHBondContact OG-N 3.46Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-S96 PolarHBondContact O-OG 3.15Å
94V97.8Very high91.9Very high146 Ų14666.7 Ų66.789%0.88541%0.412SS*.THydrogen-bonded Turntrans-69.5-22.5175.5-63.20000112.8
95T97.1Very high90Very high62 Ų6264.9 Ų64.938%0.3842%0.42SS..THydrogen-bonded Turntrans-88.6-14.1-178.840.90000113.5E37 S93 A97 A98 A99E37-T95 WeakPolarHBondContact OE1-CB 3.19Å; E37-T95 PolarHBondContact OE1-OG1 2.86Å; E37-T95 PolarHBondContact OE2-OG1 2.92Å; S93-T95 PolarHBondContact O-N 3.06Å; S93-T95 PolarHBondContact OG-N 3.46Å; S93-T95 PolarHBondContact OG-OG1 3.46Å; T95-A97 PolarHBondContact O-N 3.07Å; T95-A98 PolarHBondContact O-N 2.99Å; T95-A99 PolarHBondContact O-N 3.29Å
96S96.1Very high87.9Confident12 Ų1267.2 Ų67.28%0.08443%0.428CS..Hα-helixtrans-58.2-44.2-173.965.70000113.6E37 S90 S93 A98 A99 V100E37-S96 PolarHBondContact OE1-N 3.01Å; S90-S96 VanDerWaalsContact O-CB 3.24Å; S90-S96 WeakPolarHBondContact O-CB 3.37Å; S90-S96 PolarHBondContact O-OG 2.98Å; S93-S96 PolarHBondContact O-N 3.44Å; S93-S96 PolarHBondContact O-OG 3.15Å; S96-A98 VanDerWaalsContact C-N 3.31Å; S96-A98 PolarHBondContact O-N 2.8Å; S96-A99 PolarHBondContact O-N 3.19Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 3.26Å
97A94.8Very high85.6Confident65 Ų6573.6 Ų73.654%0.53746%0.458SS..Hα-helixtrans-62.5-39.6-178.800000111.9T95 S101T95-A97 PolarHBondContact O-N 3.07Å; A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.79Å; A97-S101 PolarHBondContact O-OG 3.33Å
98A94.9Very high83.1Confident67 Ų6779.1 Ų79.155%0.55449%0.489SS*.Hα-helixtrans-67.5-43175.300000111T95 S96 V100 S101 A102T95-A98 PolarHBondContact O-N 2.99Å; S96-A98 VanDerWaalsContact C-N 3.31Å; S96-A98 PolarHBondContact O-N 2.8Å; A98-V100 VanDerWaalsContact C-N 3.3Å; A98-V100 PolarHBondContact O-N 3.28Å; A98-S101 PolarHBondContact O-N 2.75Å; A98-A102 WeakPolarHBondContact O-CB 3.12Å; A98-A102 PolarHBondContact O-N 3.07Å
99A92.8Very high80.6Confident8 Ų882.1 Ų82.17%0.06650%0.5CS..Hα-helixtrans-62.2-34.4179.700000113.5A34 E37 R38 T95 S96A34-A99 HydrophobicContact CB-CB 4.21Å; E37-A99 HydrophobicContact CB-CB 4.02Å; E37-A99 WeakPolarHBondContact OE2-CB 3.26Å; R38-A99 WeakPolarHBondContact CD-O 3.38Å; R38-A99 WeakPolarHBondContact CG-O 3.27Å; R38-A99 PolarHBondContact NH1-O 2.98Å; T95-A99 PolarHBondContact O-N 3.29Å; S96-A99 PolarHBondContact O-N 3.19Å
100V91.1Very high78.3Confident29 Ų2985 Ų8518%0.17652%0.519CS..Hα-helixtrans-78.5-41.7176.2176.50000111.4Y41 S96 A98 A102 L103 A104Y41-V100 HydrophobicContact CD1-CG1 4.02Å; Y41-V100 HydrophobicContact CD1-CG2 4.02Å; Y41-V100 HydrophobicContact CD2-CG1 4.49Å; Y41-V100 HydrophobicContact CD2-CG2 3.8Å; Y41-V100 HydrophobicContact CE1-CG1 3.91Å; Y41-V100 HydrophobicContact CE2-CG1 4.38Å; Y41-V100 HydrophobicContact CE2-CG2 4.42Å; Y41-V100 HydrophobicContact CG-CG1 4.32Å; Y41-V100 HydrophobicContact CG-CG2 3.57Å; S96-V100 WeakPolarHBondContact O-CG2 3.3Å; S96-V100 PolarHBondContact O-N 3.26Å; A98-V100 VanDerWaalsContact C-N 3.3Å; A98-V100 PolarHBondContact O-N 3.28Å; V100-A102 VanDerWaalsContact C-N 3.32Å; V100-A102 PolarHBondContact O-N 2.77Å; V100-L103 WeakPolarHBondContact O-CB 3.21Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.12Å; V100-A104 PolarHBondContact O-N 3.1Å
101S90.1Very high76Confident65 Ų6591.5 Ų91.546%0.45555%0.552SS.*Hα-helixtrans-64.7-36.7178.9-57.70000112.2A97 A98 L103 A104A97-S101 WeakPolarHBondContact O-CB 3.47Å; A97-S101 PolarHBondContact O-N 2.79Å; A97-S101 PolarHBondContact O-OG 3.33Å; A98-S101 PolarHBondContact O-N 2.75Å; S101-L103 PolarHBondContact O-N 2.62Å; S101-A104 PolarHBondContact O-N 3.23Å
102A79.8Confident73.3Confident62 Ų6294.5 Ų94.551%0.51257%0.568SS.*THydrogen-bonded Turntrans-63.2-28.6174.500000113A98 V100A98-A102 WeakPolarHBondContact O-CB 3.12Å; A98-A102 PolarHBondContact O-N 3.07Å; V100-A102 VanDerWaalsContact C-N 3.32Å; V100-A102 PolarHBondContact O-N 2.77Å
103L70.2Confident70.7Confident126 Ų12697.2 Ų97.266%0.6657%0.568SS**THydrogen-bonded Turntrans-76.3-34.1175.1-171.771.5000112.2V100 S101 G105V100-L103 WeakPolarHBondContact O-CB 3.21Å; V100-L103 PolarHBondContact O-N 3.46Å; V100-L103 VanDerWaalsContact O-N 3.12Å; S101-L103 PolarHBondContact O-N 2.62Å; L103-G105 PolarHBondContact O-N 3.05Å
104A63Low68.2Low80 Ų80107.8 Ų107.866%0.66160%0.602SS**THydrogen-bonded Turntrans-71.77.1-178.400000113.8V100 S101V100-A104 PolarHBondContact O-N 3.1Å; S101-A104 PolarHBondContact O-N 3.23Å
105G53.3Low65.4Low62 Ų62107 Ų10764%0.63959%0.589SS**THydrogen-bonded Turntrans79.515.9173.100000114.8L103 Q107L103-G105 PolarHBondContact O-N 3.05Å; G105-Q107 PolarHBondContact O-N 3.47Å
106V48.4Very low63.1Low110 Ų110109.7 Ų109.767%0.66761%0.607SS**  trans-81.469.3167.1-170.60000108.5D108V106-D108 PolarHBondContact O-N 3.49Å
107Q46.3Very low60.2Low162 Ų162112.8 Ų112.876%0.75764%0.642SS**  trans-84.484.8163.4-171.881.58.800106.9G105G105-Q107 PolarHBondContact O-N 3.47Å
108D43.8Very low57.7Low133 Ų133115.8 Ų115.871%0.71166%0.658SS**  trans-144.5107.7159-138.818000110.6V106V106-D108 PolarHBondContact O-N 3.49Å
109Q46.3Very low55Low161 Ų161116.2 Ų116.275%0.75267%0.669SS**  trans72.165.9145.3-52.4-97.851.700118.8
110L48.7Very low52.6Low170 Ų170121.6 Ų121.689%0.8970%0.701SS**  trans-133.748146.7-154107.6000112.1
111I48.5Very low50.6Low144 Ų144129.3 Ų129.374%0.73874%0.736SS**  trans-108.873151-59.9170.3000104.5K113I111-K113 PolarHBondContact O-N 2.85Å; I111-K113 VanDerWaalsContact O-N 3.11Å
112E41.9Very low48.5Very low186 Ų186131.2 Ų131.287%0.86975%0.749SS**  trans-69.3110164.6-142.6-173.9-149.200106.6R114E112-R114 PolarHBondContact O-N 3.19Å
113K43.1Very low47Very low157 Ų157135.6 Ų135.668%0.68376%0.764SS**  trans-43.3106.3172.9-67.3169.1133.8-115.50110.6I111 E115I111-K113 PolarHBondContact O-N 2.85Å; I111-K113 VanDerWaalsContact O-N 3.11Å; K113-E115 VanDerWaalsContact C-N 3.26Å; K113-E115 HydrophobicContact CB-CG 4.4Å; K113-E115 IonicContact NZ-OE1 2.75Å; K113-E115 PolarHBondContact NZ-OE1 2.95Å; K113-E115 PolarHBondContact O-N 3.3Å; K113-E115 VanDerWaalsContact O-N 3.13Å
114R44.5Very low45.6Very low256 Ų256136.2 Ų136.297%0.96677%0.773SS**  trans-77.789.4150.7-96.1-169.7178.2-164.3-0.4107.5E112E112-R114 PolarHBondContact O-N 3.19Å
115E38.3Very low44.8Very low129 Ų129137.6 Ų137.660%0.60378%0.778SS**  trans-53.8142166.8-72.4-72.6143.800110.8K113K113-E115 VanDerWaalsContact C-N 3.26Å; K113-E115 HydrophobicContact CB-CG 4.4Å; K113-E115 IonicContact NZ-OE1 2.75Å; K113-E115 PolarHBondContact NZ-OE1 2.95Å; K113-E115 PolarHBondContact O-N 3.3Å; K113-E115 VanDerWaalsContact O-N 3.13Å
116P48.3Very low44.7Very low119 Ų119140.4 Ų140.477%0.77379%0.785SS**  trans-85.1115.9173.232.6-27.9000110.6
117G35.5Very low44.1Very low78 Ų78141.9 Ų141.980%0.80479%0.789SS**  trans84.4112.6154.600000117.2
118S42.3Very low44Very low127 Ų127143.2 Ų143.289%0.88879%0.793SS**  trans171.8115.8130.8-1740000107.7
119G39.2Very low44.1Very low76 Ų76144.4 Ų144.478%0.78479%0.794SS**  trans-167.176.5-177.500000109.4E121G119-E121 PolarHBondContact O-N 2.83Å
120T42.8Very low43.7Very low121 Ų121142.9 Ų142.974%0.74279%0.791SS**  trans-43.8126.4170.435.50000112.4S122T120-S122 PolarHBondContact O-N 3.19Å
121E47.2Very low43.4Very low191 Ų191143.3 Ų143.389%0.89379%0.788SS**  trans-47.6120.3157.158.2-151126.600111G119G119-E121 PolarHBondContact O-N 2.83Å
122S47.4Very low42.9Very low106 Ų106144.1 Ų144.174%0.74179%0.789SS**  trans-153108.3154.1350000109.4T120T120-S122 PolarHBondContact O-N 3.19Å
123D48.5Very low42.6Very low154 Ų154142.2 Ų142.282%0.82478%0.784SS**  trans-39135.1159.9-142.3-15000112.3
124T41Very low42.5Very low139 Ų139141.8 Ų141.885%0.85379%0.785SS**  trans175.594.7148.426.70000110.3
125S45.3Very low42.5Very low108 Ų108134.5 Ų134.576%0.75577%0.771SS**  trans-74.6156.2145-66.20000108.2
126P52.1Low42.4Very low122 Ų122134.2 Ų134.279%0.79278%0.783SS**  cis-134.5-178.74834.2-10.8000111.1
127D35.7Very low42Very low140 Ų140137.2 Ų137.275%0.74979%0.787SS**  cis-171145.643.2-172.923.9000108.6
128F44.3Very low42.1Very low190 Ų190142.4 Ų142.483%0.83379%0.79SS**  trans-83.8126.5175.2-81.9-99.3000108.9
129H44.6Very low42Very low159 Ų159143.8 Ų143.874%0.73679%0.788SS**  trans-117.893.7160-13471.9000110.5
130N39.1Very low42.8Very low129 Ų129145.3 Ų145.369%0.6978%0.784SS**  trans-58.6130.8156.8-90.7-22.8000109.5
131Q41.5Very low42.7Very low178 Ų178147 Ų14783%0.83278%0.783SS**  trans-126.1102.5149.2-81.5-17428.900107.8
132E37.5Very low42.6Very low162 Ų162145.3 Ų145.376%0.75778%0.78SS**  trans-94.5154.8162.1-72.2-173.3142.900109.9
133N36.8Very low42.3Very low145 Ų145147.4 Ų147.478%0.77578%0.782SS**  trans72.2141.8158.5-81.813.4000119.2
134E41.1Very low41.6Very low148 Ų148148 Ų14869%0.69279%0.785SS**  cis-166.3163.14.6-111.2-92.7130.800107.2
135P44.9Very low41.4Very low103 Ų103144.1 Ų144.167%0.66977%0.773SS**  trans-86.6138.7173.633.2-23.9000111.4
136S35.6Very low41.1Very low123 Ų123144.8 Ų144.886%0.8678%0.778SS**  trans-115.9122.8172.4-54.60000111
137Q39.2Very low40.5Very low183 Ų183144.7 Ų144.786%0.85578%0.775SS**  trans-71.5156.3165.9-66.1176.2-57.300111.1
138E38.2Very low40.6Very low187 Ų187147.2 Ų147.287%0.87478%0.782SS**  trans173.497.6131.9-92.8174.7-156.300110.2
139D39.4Very low40.2Very low156 Ų156141.7 Ų141.783%0.83478%0.779SS**  41.4162.4116.7-82.8-7.7000122.6
140P56.2Low39.9Very low108 Ų108141 Ų14170%0.70179%0.786SS**  cis-146.4-178.7-1.739.5-17.2000118.7
141E41.2Very low40Very low156 Ų156144.3 Ų144.373%0.72979%0.794SS**  trans70.6118.1151-48.7-136.5164.500123.4
142D44.5Very low40.2Very low156 Ų156141.4 Ų141.483%0.83479%0.79SS**  -164.8121.4110.1-92.5-31.8000113.3
143L41.3Very low40.4Very low150 Ų150143.1 Ų143.179%0.78580%0.798SS**  trans-12.7152.5166.1-76.9139.2000125.5
144D34.9Very low40.4Very low165 Ų165146.1 Ų146.188%0.88281%0.805SS**  trans79.9128.6145.4-154.638.3000118.1
145G35.6Very low40.4Very low58 Ų58143.8 Ų143.860%0.59881%0.81SS**  cis169.7167.86.500000110.5
146S39.7Very low40Very low122 Ų122143.9 Ų143.985%0.85382%0.82SS**  trans77.7111.1162-153.10000121.4
147V39.1Very low40.2Very low120 Ų120143.2 Ų143.273%0.72782%0.815SS**  trans-59.1169.9160.8-77.70000116.1
148Q37Very low40.2Very low193 Ų193139.4 Ų139.490%0.90281%0.809SS**  trans97.9134.4163.6-56.4177.43.100114.8
149G35.8Very low40.2Very low75 Ų75136.8 Ų136.877%0.77381%0.806SS**  cis171.5144.58.400000109.3
150V39.3Very low40.1Very low144 Ų144134.9 Ų134.987%0.87380%0.804SS**  trans-53.7141.8176.5-95.90000116.2
151K40.2Very low39.2Very low199 Ų199135.5 Ų135.587%0.86581%0.811SS**  179.1151112.4-105.2178.7175.1168.80115.1
152P47.6Very low38.9Very low117 Ų117131.9 Ų131.976%0.7682%0.816SS**  trans-99.7157.9177.338.3-29.9000112.9
153Q40.6Very low38.7Very low197 Ų197129.4 Ų129.492%0.92181%0.811SS**  trans-142.4118.7168.8-71.1-158.7-63.200115.4
154K37.3Very low38.8Very low209 Ų209130.7 Ų130.791%0.90981%0.813SS**  trans31.1142.1138.6-83.6-173.5174.7-175.80124.2
155A41.1Very low39.2Very low98 Ų98130.6 Ų130.681%0.8181%0.807SS**  trans-71.7153.7164.200000115.2
156A36Very low39.7Very low105 Ų105133 Ų13387%0.86881%0.814SS**  trans-175158.2137.200000111.2
157S41.2Very low39.8Very low110 Ų110132.3 Ų132.377%0.76981%0.81SS**  trans-84168.9-169.5500000117.1
158S37.5Very low40.6Very low103 Ų103135.4 Ų135.472%0.7282%0.816SS**  trans109.7117.2141.174.60000119.9
159T38.3Very low41.4Very low132 Ų132135.6 Ų135.681%0.8181%0.814SS**  trans40.8120.7136.160.50000121.1
160S37.3Very low42.2Very low115 Ų115141.9 Ų141.980%0.80482%0.82SS**  -177.5144.4118.247.60000113.8
161S38.6Very low43.3Very low121 Ų121146.7 Ų146.785%0.84682%0.822SS**  trans-0.9140.8158.3550000122
162G34.8Very low44Very low81 Ų81145.2 Ų145.284%0.83582%0.816SS**  trans17580157.700000114.6
163S39.7Very low44.2Very low103 Ų103147.1 Ų147.172%0.7282%0.819SS**  trans-73134.8168.7-1740000110.2
164H43.8Very low45.2Very low177 Ų177144.7 Ų144.782%0.81981%0.806SS**  trans-169.2160.5151.2-88.1-59.7000112.4
165H43.1Very low45.7Very low164 Ų164141.7 Ų141.776%0.75980%0.8SS**  trans-85.7157.1-148.8-50-75.8000116.6
166S45.5Very low46.1Very low107 Ų107148.4 Ų148.475%0.74880%0.804SS**  trans-162.7110.6140.5177.50000111.4
167S42.8Very low46.8Very low109 Ų109151.7 Ų151.776%0.76280%0.801SS**  trans-79.3122.6171.8440000109.9
168H54.4Low47.1Very low185 Ų185151.9 Ų151.986%0.85680%0.802SS**  trans-119.5132.1169.1-106.318.6000113.1
169K54.8Low47.9Very low197 Ų197152.7 Ų152.786%0.85781%0.805SS**  trans-74.9145.4-156.1-71.4173.6177.91710112.2R171K169-R171 PolarHBondContact O-N 3.14Å
170K53Low48.1Very low207 Ų207152.2 Ų152.290%0.981%0.807SS**  trans-41.9128.7167.8-63.2-173.5176.6-179.20112.4
171R61.3Low48.4Very low245 Ų245150 Ų15093%0.92580%0.802SS**  trans-109.1109.8151-69.1-176.573.3-177.12.1108.3K169K169-R171 PolarHBondContact O-N 3.14Å
172K56.5Low49.1Very low168 Ų168151.7 Ų151.773%0.7380%0.799SS**  trans-84.5103.6177.3-166.1-179.6-168.7175.90106.7K174K172-K174 HydrophobicContact CD-CG 4.49Å; K172-K174 HydrophobicContact CG-CG 4.17Å
173N50.8Low49.6Very low156 Ų156156.2 Ų156.283%0.83480%0.796SS**  trans-94.4105166.5-164.313.6000108.5
174K61.4Low49.7Very low147 Ų147158.1 Ų158.164%0.63980%0.798SS**  trans-94.1113.5168.6-58.3175.9-171.5165.70105.8K172K172-K174 HydrophobicContact CD-CG 4.49Å; K172-K174 HydrophobicContact CG-CG 4.17Å
175N48.3Very low49.5Very low146 Ų146160.2 Ų160.278%0.78180%0.8SS**  trans-149.687146.1-109.920.7000107.8
176R48.7Very low49.5Very low239 Ų239159.6 Ų159.690%0.90280%0.803SS**  trans-73.9121.1158.6-76.2175.2171.6177.5-5.3106.3
177H50.6Low49.4Very low174 Ų174162.1 Ų162.181%0.80680%0.8SS**  trans-129.3102.4148.9-87.980.3000105.8
178S47.3Very low49.4Very low114 Ų114165.4 Ų165.480%0.79780%0.803SS**  trans-110.4113.3164.8-176.30000105.1
179P53.9Low49.1Very low119 Ų119161.3 Ų161.377%0.77379%0.787SS**  trans-88128.8153.922.4-9.6000108.9
180S43.1Very low48.8Very low122 Ų122157.6 Ų157.685%0.85378%0.777SS**  trans-60.5149.8166.651.30000113
181G45Very low48.7Very low68 Ų68153.8 Ų153.870%0.70177%0.765SS**  trans14496.9164.500000107.8
182M53Low48.3Very low158 Ų158150.3 Ų150.378%0.77876%0.757SS**  cis48115.340.6-15084.1129.200111.5
183F44Very low48.3Very low176 Ų176149 Ų14977%0.77276%0.757SS**  trans81.4116.7-175.5-46.3-67.6000111.6
184D43.3Very low48.2Very low143 Ų143148.5 Ų148.577%0.76575%0.754SS**  cis-149.8148.526.1-75.3-50.3000113.5
185Y39.4Very low47.9Very low221 Ų221151 Ų15187%0.86777%0.765SS**  trans-84.1103.6165.9-117.6-98.6000107
186D41.9Very low48.8Very low151 Ų151152.5 Ų152.581%0.80777%0.765SS**  trans-100.491.3163.7-90.4-21.3000109.7E188D186-E188 VanDerWaalsContact C-N 3.26Å; D186-E188 PolarHBondContact O-N 2.9Å
187F43.3Very low49.5Very low159 Ų159147.2 Ų147.270%0.69776%0.761SS**  trans-80.970.8166.5-171.5-101.2000108.4I189F187-I189 HydrophobicContact CD1-CD1 4.07Å; F187-I189 HydrophobicContact CD1-CG1 3.92Å; F187-I189 HydrophobicContact CE1-CD1 3.19Å; F187-I189 HydrophobicContact CE1-CG1 3.53Å; F187-I189 HydrophobicContact CE2-CD1 4.37Å; F187-I189 HydrophobicContact CE2-CG1 4.39Å; F187-I189 HydrophobicContact CZ-CD1 3.39Å; F187-I189 HydrophobicContact CZ-CG1 3.81Å; F187-I189 PolarHBondContact O-N 2.9Å
188E42.3Very low49.6Very low178 Ų178150.1 Ų150.183%0.83277%0.765SS**  trans-89.888.3165.1-91.4-176.1162.800109.6D186 D190D186-E188 VanDerWaalsContact C-N 3.26Å; D186-E188 PolarHBondContact O-N 2.9Å; E188-D190 VanDerWaalsContact C-N 3.34Å; E188-D190 PolarHBondContact O-N 3.33Å
189I48.3Very low50Low100 Ų100148.8 Ų148.851%0.51376%0.761SS.*  trans-59.797.4153.7-66-173.3000107.2F187 L191F187-I189 HydrophobicContact CD1-CD1 4.07Å; F187-I189 HydrophobicContact CD1-CG1 3.92Å; F187-I189 HydrophobicContact CE1-CD1 3.19Å; F187-I189 HydrophobicContact CE1-CG1 3.53Å; F187-I189 HydrophobicContact CE2-CD1 4.37Å; F187-I189 HydrophobicContact CE2-CG1 4.39Å; F187-I189 HydrophobicContact CZ-CD1 3.39Å; F187-I189 HydrophobicContact CZ-CG1 3.81Å; F187-I189 PolarHBondContact O-N 2.9Å; I189-L191 HydrophobicContact CG2-CB 3.85Å; I189-L191 HydrophobicContact CG2-CD1 3.33Å; I189-L191 HydrophobicContact CG2-CG 4.16Å; I189-L191 PolarHBondContact O-N 3.18Å
190D48.8Very low50Low119 Ų119150.6 Ų150.664%0.63676%0.764SS**  trans-82.973.4164.5-158.717.2000109E188 K192E188-D190 VanDerWaalsContact C-N 3.34Å; E188-D190 PolarHBondContact O-N 3.33Å; D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.7Å; D190-K192 IonicContact OD2-NZ 3.75Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å
191L50.8Low50.6Low126 Ų126159.3 Ų159.366%0.6678%0.781SS**  trans-71.285.3165.1-123.580.5000107.1I189 L193I189-L191 HydrophobicContact CG2-CB 3.85Å; I189-L191 HydrophobicContact CG2-CD1 3.33Å; I189-L191 HydrophobicContact CG2-CG 4.16Å; I189-L191 PolarHBondContact O-N 3.18Å; L191-L193 PolarHBondContact O-N 2.97Å
192K54.3Low50.9Low173 Ų173163.9 Ų163.975%0.75279%0.785SS**  trans-67.482163.9-79.5-171.7173.877.90109.2D190 N194D190-K192 VanDerWaalsContact C-N 3.25Å; D190-K192 PolarHBondContact O-N 2.7Å; D190-K192 IonicContact OD2-NZ 3.75Å; D190-K192 PolarHBondContact OD2-NZ 2.86Å; K192-N194 PolarHBondContact O-N 2.63Å
193L54.6Low50.8Low140 Ų140164.2 Ų164.273%0.73379%0.785SS**  trans-59115.8164.6-95.5159000108.8L191 K195L191-L193 PolarHBondContact O-N 2.97Å; L193-K195 PolarHBondContact O-N 3.4Å
194N48.9Very low51.1Low146 Ų146163.6 Ų163.678%0.78179%0.786SS**  trans-65.491.5175.6-146.8-4.4000109.2K192 K196K192-N194 PolarHBondContact O-N 2.63Å; N194-K196 PolarHBondContact O-N 3.11Å; N194-K196 VanDerWaalsContact O-N 3.15Å
195K55.7Low51.6Low198 Ų198164.8 Ų164.886%0.86179%0.787SS**  trans-74.397.6169.8-81.6-178.5177.71760108.8L193L193-K195 PolarHBondContact O-N 3.4Å
196K68.1Low52.4Low179 Ų179161.3 Ų161.378%0.77878%0.782SS**PPolyproline II helixtrans-72135.6161.1-67.6-175.1179-177.40109N194N194-K196 PolarHBondContact O-N 3.11Å; N194-K196 VanDerWaalsContact O-N 3.15Å
197P63.7Low53.1Low127 Ų127161.9 Ų161.983%0.82578%0.78SS**PPolyproline II helixtrans-69.7141.3173.127.5-31.5000111.1
198R51.7Low53.8Low235 Ų235162.1 Ų162.189%0.88779%0.786SS**PPolyproline II helixtrans-61.9129.7174.3-179.5174.2173.4157.8-3.4109.3
199A55.6Low54.6Low86 Ų86160.9 Ų160.971%0.71178%0.783SS**PPolyproline II helixtrans-74.4129.817200000109.7
200D55.3Low55.2Low158 Ų158166 Ų16685%0.84581%0.805SS**PPolyproline II helixtrans-71.5140.4166.2-62.8-43.9000109.3
201Y54.7Low55.8Low305 Ų305170.3 Ų170.3100%1.19682%0.821SS**  trans-1160163.4-112.9-79.2000107.5

Retrieved 201 of 201 residues in 26 ms (Link to these results)