A0A096NXQ0_PAPAN Loading...

Twist family bHLH transcription factor 2

AlphaFold DB (Q8WVJ9), UniProt , Accession A0A096NXQ0, Species PAPAN (Papio anubis, Olive baboon), Gene TWIST2, Length 160 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
1M46.3Very low50.8Low233 Ų233137.5 Ų137.5100%1.14884%0.837SS**  0118.50-72.3-178.4-179.100105.6E3M1-E3 PolarHBondContact O-N 3.21Å
2E47.2Very low51.6Low197 Ų197136.8 Ų136.892%0.92183%0.831SS**  trans-70.6104.7-177.2-61.9-78.9120.200108.3
3E50.2Low50.9Low182 Ų182137.1 Ų137.185%0.8583%0.826SS**PPolyproline II helixtrans-91.9121.2173.3-76.2-70.9135.600109M1M1-E3 PolarHBondContact O-N 3.21Å
4G43.2Very low51.1Low72 Ų72136.1 Ų136.174%0.74283%0.828SS**PPolyproline II helixtrans-66.9140.8-164.400000115.2S6G4-S6 PolarHBondContact O-N 3.49Å
5S45.6Very low50.7Low110 Ų110137.9 Ų137.977%0.76983%0.83SS**PPolyproline II helixtrans-54.2118.2158.8153.20000111
6S51.1Low49.9Very low125 Ų125133.6 Ų133.687%0.87482%0.822SS**  trans-121.4103.8158.8-155.70000108.5G4G4-S6 PolarHBondContact O-N 3.49Å
7S46.7Very low49.2Very low99 Ų99132.6 Ų132.669%0.69282%0.816SS**PPolyproline II helixtrans-84.2162.5-179.5-82.70000111.3
8P54.5Low48.9Very low118 Ų118131.9 Ų131.977%0.76682%0.818SS**PPolyproline II helixtrans-92.4153-142.834.7-34.9000115.1
9V58.2Low48.7Very low142 Ų142134.7 Ų134.786%0.86182%0.82SS**PPolyproline II helixtrans-74.5122.6170.140.90000110.5
10S51.3Low48.4Very low105 Ų105136.3 Ų136.373%0.73482%0.818SS**PPolyproline II helixtrans-66.5133.9178.1-49.80000112.5
11P64.5Low47.8Very low130 Ų130139.2 Ų139.284%0.84482%0.823SS**PPolyproline II helixtrans-75.2127.8167.826.7-26.8000110.7
12V60.9Low47.5Very low128 Ų128134.8 Ų134.878%0.77680%0.804SS**PPolyproline II helixtrans-69144.1178.652.40000112.3
13D42.6Very low47Very low141 Ų141133.7 Ų133.775%0.75480%0.798SS**  trans-40.4125.9177.8-70.3-70.7000115
14S53.5Low46.4Very low124 Ų124136.4 Ų136.487%0.86780%0.801SS**  trans-109.787.4161.1-69.30000108.7G16S14-G16 PolarHBondContact O-N 2.78Å; S14-G16 VanDerWaalsContact O-N 3.11Å
15L45.5Very low46.2Very low162 Ų162140.6 Ų140.685%0.84880%0.801SS**  trans-72.391167-83.1153.9000108.8
16G38.1Very low46.1Very low69 Ų69140.5 Ų140.571%0.71180%0.798SS**  trans-122.971.7173.100000110.6S14S14-G16 PolarHBondContact O-N 2.78Å; S14-G16 VanDerWaalsContact O-N 3.11Å
17T36.7Very low45.5Very low117 Ų117143 Ų14372%0.71879%0.793SS**  trans-117.381.5168.329.40000108.4
18S44.5Very low45.5Very low121 Ų121149.5 Ų149.585%0.84680%0.802SS**  trans-89.898.9157.449.80000107.1E20S18-E20 PolarHBondContact O-N 2.97Å
19E44.9Very low44.9Very low184 Ų184152.6 Ų152.686%0.8680%0.804SS**  trans-73.2110.3172.6-57.7179.1115.900108.6
20E41.8Very low44.1Very low167 Ų167149.3 Ų149.378%0.7880%0.799SS**  trans-130.875.3164.5-135.5-166.6131.700108.3S18 L22S18-E20 PolarHBondContact O-N 2.97Å; E20-L22 PolarHBondContact O-N 3.21Å
21E36.7Very low43.9Very low197 Ų197156.2 Ų156.292%0.92181%0.809SS**  trans-85.587.4176.3-168171.1123.800109.2E23E21-E23 PolarHBondContact O-N 3.14Å
22L39.7Very low42.9Very low141 Ų141159.6 Ų159.674%0.73881%0.81SS**  trans-67.7114.2170.1-83.3159.6000110.2E20 R24E20-L22 PolarHBondContact O-N 3.21Å; L22-R24 PolarHBondContact O-N 2.98Å
23E36.1Very low42.1Very low174 Ų174165.4 Ų165.481%0.81382%0.818SS**  trans-33.4103.2172.4-86.9-160108.900113.9E21 Q25E21-E23 PolarHBondContact O-N 3.14Å; E23-Q25 PolarHBondContact O-N 3.24Å
24R39.2Very low42.2Very low239 Ų239170.1 Ų170.190%0.90283%0.826SS**  trans-90.594160.6-78.7-175.7178.8169.81.8109.4L22 P26L22-R24 PolarHBondContact O-N 2.98Å; R24-P26 WeakPolarHBondContact O-CD 3.31Å
25Q38.3Very low41.6Very low159 Ų159174.5 Ų174.574%0.74383%0.825SS**  trans-51.7124.3169.5-85.3-160.912.400111.8E23 K27E23-Q25 PolarHBondContact O-N 3.24Å; Q25-K27 PolarHBondContact O-N 2.96Å
26P43Very low41.8Very low109 Ų109172.3 Ų172.371%0.70882%0.823SS**  trans-80.3103.5177.429.5-31.5000111R24 R28R24-P26 WeakPolarHBondContact O-CD 3.31Å; P26-R28 VanDerWaalsContact C-N 3.31Å; P26-R28 HydrophobicContact CB-CG 4.49Å; P26-R28 PolarHBondContact O-N 2.67Å
27K40Very low42.1Very low177 Ų177177.9 Ų177.977%0.7783%0.828SS**  trans-67.586.3166.2-69.4-167.3-179.6-178.30110.3Q25 F29Q25-K27 PolarHBondContact O-N 2.96Å; K27-F29 VanDerWaalsContact C-N 3.35Å; K27-F29 HydrophobicContact CB-CD2 4.14Å; K27-F29 HydrophobicContact CB-CE2 4.02Å; K27-F29 HydrophobicContact CD-CE2 4.09Å; K27-F29 PolarHBondContact O-N 3.21Å
28R45.8Very low42.5Very low235 Ų235182 Ų18289%0.88784%0.836SS**  trans-75.682.1173.2-59.3-169.698-178.98.2110.1P26 G30P26-R28 VanDerWaalsContact C-N 3.31Å; P26-R28 HydrophobicContact CB-CG 4.49Å; P26-R28 PolarHBondContact O-N 2.67Å; R28-G30 PolarHBondContact O-N 2.76Å
29F42.2Very low42.3Very low183 Ų183180.5 Ų180.580%0.80383%0.826SS**  trans-71.2118.3166.1-78.6-82.7000109.7K27 R31K27-F29 VanDerWaalsContact C-N 3.35Å; K27-F29 HydrophobicContact CB-CD2 4.14Å; K27-F29 HydrophobicContact CB-CE2 4.02Å; K27-F29 HydrophobicContact CD-CE2 4.09Å; K27-F29 PolarHBondContact O-N 3.21Å; F29-R31 PolarHBondContact O-N 3.21Å
30G41.5Very low42.1Very low74 Ų74176.9 Ų176.976%0.76382%0.82SS**  trans-58.4128.5-172.900000113.8R28 K32R28-G30 PolarHBondContact O-N 2.76Å; G30-K32 PolarHBondContact O-N 3.03Å
31R46.4Very low42.2Very low249 Ų249177.7 Ų177.794%0.9482%0.824SS**  trans-75.5102166.1-82.1-179.6169.3173.7-3.2109.4F29 R33F29-R31 PolarHBondContact O-N 3.21Å; R31-R33 PolarHBondContact O-N 3.49Å
32K42.9Very low42.6Very low201 Ų201176.4 Ų176.487%0.87482%0.824SS**  trans-65.995.6175.2-156.6170.4-1741730109.7G30 R34G30-K32 PolarHBondContact O-N 3.03Å; K32-R34 PolarHBondContact O-N 3.38Å; K32-R34 VanDerWaalsContact O-N 3.12Å
33R44.2Very low42.6Very low250 Ų250173 Ų17394%0.94382%0.823SS**  trans-64.4106.6171.5-97.7-177.4143.3168.1-5.3109.2R31 Y35R31-R33 PolarHBondContact O-N 3.49Å; R33-Y35 PolarHBondContact O-N 2.87Å
34R45.4Very low42.9Very low240 Ų240170.4 Ų170.491%0.90682%0.824SS**  trans-74.4115.8168.4-79.7-175.2173.1-177.5-1.5109.1K32K32-R34 PolarHBondContact O-N 3.38Å; K32-R34 VanDerWaalsContact O-N 3.12Å
35Y40.6Very low43.3Very low216 Ų216164.5 Ų164.585%0.84782%0.817SS**  trans-76.1114.8166.8-178.1-95.8000107.8R33R33-Y35 PolarHBondContact O-N 2.87Å
36S50.9Low43.5Very low117 Ų117163.6 Ų163.682%0.81882%0.822SS**  trans-111.1115.2169.6-160.90000109.6
37K42.9Very low43.6Very low185 Ų185164.6 Ų164.680%0.80483%0.828SS**  trans-57.1129.9178.1-179.6174.1179.2168.40111.2
38K45.1Very low43.7Very low203 Ų203159.5 Ų159.588%0.88383%0.826SS**  trans-132.3124.4161-157.3161.5-176.2176.50110.1
39S40.7Very low43.6Very low91 Ų91158.5 Ų158.564%0.63683%0.828SS**  trans-51.2139179.942.20000113.5
40S41.4Very low43.8Very low107 Ų107161.8 Ų161.875%0.74884%0.836SS**  55.9122.199.5-40.90000111
41E43.9Very low44.1Very low184 Ų184161.5 Ų161.586%0.8683%0.832SS**  -162.6135.953.9-70.1177.3108.200108.7
42D43.6Very low44.1Very low171 Ų171159.5 Ų159.591%0.91483%0.83SS**  97.4128113.1-168.233.5000113.9
43G40.4Very low44.4Very low70 Ų70160.2 Ų160.272%0.72283%0.833SS**  trans139.468.3-175.400000116
44S42.4Very low44.8Very low119 Ų119151.3 Ų151.383%0.83282%0.82SS**  trans27.5141.8152.8-148.40000123.4
45P48Very low45.3Very low115 Ų115144.5 Ų144.575%0.74781%0.809SS**  trans-102.7151.9-162.638.7-28.4000114.8
46T42.6Very low46.3Very low140 Ų140140.1 Ų140.186%0.85981%0.807SS**  trans-120.713915253.70000110.5
47P45.2Very low46.7Very low129 Ų129139 Ų13984%0.83880%0.799SS**  trans-102.4145.1-160.936.2-27.1000113.2
48G41.4Very low48Very low71 Ų71135 Ų13573%0.73280%0.8SS**  95.180.6129.500000118
49K43.9Very low49.5Very low213 Ų213130.3 Ų130.393%0.92678%0.782SS**  -149.189.6125.9-120172.9-178.1177.80109.3G51K49-G51 PolarHBondContact O-N 2.75Å
50R47.5Very low51.8Low253 Ų253128.2 Ų128.296%0.95577%0.767SS**  trans-69.578.3170.8-67.2170.396.1172.35.7107.8K52R50-K52 PolarHBondContact O-N 3.48Å; R50-K52 VanDerWaalsContact O-N 3.16Å
51G48Very low54.2Low67 Ų67130.8 Ų130.869%0.69177%0.765SS**  trans-59116.1162.700000107.6K49 K53K49-G51 PolarHBondContact O-N 2.75Å; G51-K53 PolarHBondContact O-N 3.5Å
52K46.3Very low56.6Low207 Ų207128.2 Ų128.290%0.975%0.753SS**  trans-27.5120.1174.1-103162.6167.7172.50110.8R50 G54R50-K52 PolarHBondContact O-N 3.48Å; R50-K52 VanDerWaalsContact O-N 3.16Å; K52-G54 PolarHBondContact O-N 2.96Å
53K48Very low59.1Low216 Ų216124.7 Ų124.794%0.93973%0.731SS**  trans-60.283.3164.9-74.8177.2174.2179.30107.3G51 S55G51-K53 PolarHBondContact O-N 3.5Å; K53-S55 PolarHBondContact O-N 3.4Å; K53-S55 VanDerWaalsContact O-N 3.14Å
54G52.3Low61.7Low64 Ų64125.5 Ų125.566%0.6672%0.718SS**  trans-55.2118.2161.100000105.6K52K52-G54 PolarHBondContact O-N 2.96Å
55S56.3Low64.3Low96 Ų96123.3 Ų123.367%0.67170%0.695SS**  trans-39.8135.1163.9178.20000107.7K53 S57K53-S55 PolarHBondContact O-N 3.4Å; K53-S55 VanDerWaalsContact O-N 3.14Å; S55-S57 PolarHBondContact O-N 3.03Å
56P61Low66.5Low124 Ų124121 Ų12181%0.80568%0.682SS**  trans-65.278.7172.927.8-31.1000107.3A58P56-A58 PolarHBondContact O-N 2.89Å; P56-A58 VanDerWaalsContact O-N 3.16Å
57S60.2Low69.1Low95 Ų95119 Ų11966%0.66466%0.662SS**  trans-54122.4170.250.60000104.7S55 Q59S55-S57 PolarHBondContact O-N 3.03Å; S57-Q59 PolarHBondContact O-N 3.33Å
58A69.2Low71.6Confident100 Ų100120.5 Ų120.583%0.82665%0.652SS**  trans-35.9100.8-178.600000109.4P56 S60P56-A58 PolarHBondContact O-N 2.89Å; P56-A58 VanDerWaalsContact O-N 3.16Å; A58-S60 PolarHBondContact O-N 3.27Å
59Q77.1Confident74.3Confident104 Ų104121.6 Ų121.649%0.48664%0.639SS.*  trans-56.5134.4178.7-72.4179.9-56.600106.2S57 L64S57-Q59 PolarHBondContact O-N 3.33Å; Q59-L64 HydrophobicContact CB-CD1 3.3Å; Q59-L64 HydrophobicContact CG-CD1 4.45Å
60S89.7Confident76.9Confident48 Ų48117.3 Ų117.334%0.33663%0.626SS.*  trans-59.4148.8-178.966.10000109.6A58 E62 E63 L64A58-S60 PolarHBondContact O-N 3.27Å; S60-E62 PolarHBondContact O-N 3.41Å; S60-E63 WeakPolarHBondContact O-CB 3.3Å; S60-E63 PolarHBondContact O-N 3.16Å; S60-E63 VanDerWaalsContact OG-CG 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.25Å; S60-E63 PolarHBondContact OG-OE1 2.9Å; S60-L64 WeakPolarHBondContact O-CD1 2.86Å; S60-L64 PolarHBondContact O-N 3.37Å; S60-L64 VanDerWaalsContact O-N 3.11Å
61F92.1Very high79.3Confident160 Ų160108 Ų10870%0.70260%0.603SS**Hα-helixtrans-54.8-38.6178.7174.9-97.3000111.7L64 Q65F61-L64 PolarHBondContact O-N 3.21Å; F61-Q65 PolarHBondContact O-N 2.98Å
62E94.5Very high81.7Confident131 Ų131109.6 Ų109.661%0.61260%0.596SS**Hα-helixtrans-55.7-47.1172.2-74.5-77.1154.900112.9S60 Q65 S66S60-E62 PolarHBondContact O-N 3.41Å; E62-Q65 PolarHBondContact O-N 3.17Å; E62-S66 WeakPolarHBondContact O-CB 3.37Å; E62-S66 PolarHBondContact O-N 2.79Å; E62-S66 PolarHBondContact O-OG 3.3Å
63E94.5Very high84.2Confident96 Ų96103 Ų10345%0.44957%0.572SS.*Hα-helixtrans-64.3-40.9176.8-77.7158.3-13100112.1S60 Q65 S66 Q67S60-E63 WeakPolarHBondContact O-CB 3.3Å; S60-E63 PolarHBondContact O-N 3.16Å; S60-E63 VanDerWaalsContact OG-CG 3.22Å; S60-E63 WeakPolarHBondContact OG-CG 3.37Å; S60-E63 PolarHBondContact OG-N 3.25Å; S60-E63 PolarHBondContact OG-OE1 2.9Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; E63-S66 PolarHBondContact O-N 2.87Å; E63-Q67 WeakPolarHBondContact O-CB 3.25Å; E63-Q67 VanDerWaalsContact O-CG 3.32Å; E63-Q67 WeakPolarHBondContact O-CG 3.43Å; E63-Q67 PolarHBondContact O-N 2.76Å; E63-Q67 PolarHBondContact O-NE2 3Å
64L95.3Very high86.6Confident87 Ų87101.7 Ų101.746%0.45556%0.562SS.*Hα-helixtrans-62-43.6175.3-91.278.7000111.1Q59 S60 F61 S66 Q67 R68Q59-L64 HydrophobicContact CB-CD1 3.3Å; Q59-L64 HydrophobicContact CG-CD1 4.45Å; S60-L64 WeakPolarHBondContact O-CD1 2.86Å; S60-L64 PolarHBondContact O-N 3.37Å; S60-L64 VanDerWaalsContact O-N 3.11Å; F61-L64 PolarHBondContact O-N 3.21Å; L64-S66 VanDerWaalsContact C-N 3.35Å; L64-Q67 PolarHBondContact O-N 2.91Å; L64-R68 WeakPolarHBondContact O-CB 3.42Å; L64-R68 PolarHBondContact O-N 3Å
65Q96.5Very high88.8Confident74 Ų74102.9 Ų102.935%0.34655%0.55SS.*Hα-helixtrans-63.6-43.4178.5-176.9169.41.200111F61 E62 E63 R68 I69F61-Q65 PolarHBondContact O-N 2.98Å; E62-Q65 PolarHBondContact O-N 3.17Å; E63-Q65 VanDerWaalsContact C-N 3.33Å; Q65-R68 WeakPolarHBondContact O-CB 3.14Å; Q65-R68 PolarHBondContact O-N 2.9Å; Q65-I69 HydrophobicContact CG-CD1 4.16Å; Q65-I69 WeakPolarHBondContact O-CG1 3.47Å; Q65-I69 PolarHBondContact O-N 2.99Å
66S96Very high90.8Very high67 Ų67107.1 Ų107.147%0.46955%0.551SS.*Hα-helixtrans-60.9-45.6176.8-630000112.3E62 E63 L64 R68 I69 L70E62-S66 WeakPolarHBondContact O-CB 3.37Å; E62-S66 PolarHBondContact O-N 2.79Å; E62-S66 PolarHBondContact O-OG 3.3Å; E63-S66 PolarHBondContact O-N 2.87Å; L64-S66 VanDerWaalsContact C-N 3.35Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact O-N 3.45Å; S66-I69 PolarHBondContact O-N 3.45Å; S66-L70 PolarHBondContact O-N 2.87Å
67Q97.1Very high92.6Very high96 Ų96106.8 Ų106.845%0.44954%0.539SS..Hα-helixtrans-62.2-40175.2-74.4171.753.300112.1E63 L64 L70 A71E63-Q67 WeakPolarHBondContact O-CB 3.25Å; E63-Q67 VanDerWaalsContact O-CG 3.32Å; E63-Q67 WeakPolarHBondContact O-CG 3.43Å; E63-Q67 PolarHBondContact O-N 2.76Å; E63-Q67 PolarHBondContact O-NE2 3Å; L64-Q67 PolarHBondContact O-N 2.91Å; Q67-L70 PolarHBondContact O-N 3.23Å; Q67-A71 WeakPolarHBondContact O-CB 3.42Å; Q67-A71 PolarHBondContact O-N 3.32Å
68R97.1Very high94.4Very high162 Ų162110.3 Ų110.361%0.61154%0.538SS*.Hα-helixtrans-62.8-42.6176.1-171.5177.973.31601.5111.5L64 Q65 S66 A71 N72L64-R68 WeakPolarHBondContact O-CB 3.42Å; L64-R68 PolarHBondContact O-N 3Å; Q65-R68 WeakPolarHBondContact O-CB 3.14Å; Q65-R68 PolarHBondContact O-N 2.9Å; S66-R68 VanDerWaalsContact C-N 3.32Å; S66-R68 PolarHBondContact O-N 3.45Å; R68-A71 PolarHBondContact O-N 2.7Å; R68-N72 VanDerWaalsContact O-CG 3.26Å; R68-N72 PolarHBondContact O-N 3.4Å; R68-N72 PolarHBondContact O-ND2 3.38Å
69I98Very high95.8Very high93 Ų93108.4 Ų108.448%0.47752%0.516SS..Hα-helixtrans-62.1-48.4176.5-67.6164.5000110.1Q65 S66 A71 N72 V73Q65-I69 HydrophobicContact CG-CD1 4.16Å; Q65-I69 WeakPolarHBondContact O-CG1 3.47Å; Q65-I69 PolarHBondContact O-N 2.99Å; S66-I69 PolarHBondContact O-N 3.45Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 3.38Å; I69-N72 WeakPolarHBondContact O-CB 3.41Å; I69-N72 PolarHBondContact O-N 3Å; I69-N72 VanDerWaalsContact O-N 3.14Å; I69-V73 WeakPolarHBondContact O-CG2 3.44Å; I69-V73 PolarHBondContact O-N 3.39Å
70L97.8Very high96.9Very high124 Ų124107.8 Ų107.865%0.64951%0.513SS*.Hα-helixtrans-60.7-40.4179.2-176.262.4000112.2S66 Q67 V73 R74S66-L70 PolarHBondContact O-N 2.87Å; Q67-L70 PolarHBondContact O-N 3.23Å; L70-V73 PolarHBondContact O-N 2.98Å; L70-R74 PolarHBondContact O-N 3.43Å
71A97.8Very high97.3Very high56 Ų56109 Ų10946%0.46352%0.522SS..Hα-helixtrans-62.2-43.217500000112.1Q67 R68 I69 R74 E75Q67-A71 WeakPolarHBondContact O-CB 3.42Å; Q67-A71 PolarHBondContact O-N 3.32Å; R68-A71 PolarHBondContact O-N 2.7Å; I69-A71 VanDerWaalsContact C-N 3.31Å; I69-A71 PolarHBondContact O-N 3.38Å; A71-R74 PolarHBondContact O-N 3.34Å; A71-E75 PolarHBondContact O-N 2.94Å
72N98.6Very high97.6Very high101 Ų101105.5 Ų105.554%0.5451%0.51SS..Hα-helixtrans-62.9-42.1176.5-71.6-17000112R68 I69 R74 E75 R76R68-N72 VanDerWaalsContact O-CG 3.26Å; R68-N72 PolarHBondContact O-N 3.4Å; R68-N72 PolarHBondContact O-ND2 3.38Å; I69-N72 WeakPolarHBondContact O-CB 3.41Å; I69-N72 PolarHBondContact O-N 3Å; I69-N72 VanDerWaalsContact O-N 3.14Å; N72-R74 VanDerWaalsContact C-N 3.32Å; N72-R74 PolarHBondContact O-N 3.15Å; N72-E75 PolarHBondContact O-N 3.27Å; N72-R76 PolarHBondContact O-N 3.41Å
73V98.6Very high97.8Very high68 Ų68102.4 Ų102.441%0.41250%0.497SS..Hα-helixtrans-59-45.4175.2171.20000110.6I69 L70 E75 R76 Q77I69-V73 WeakPolarHBondContact O-CG2 3.44Å; I69-V73 PolarHBondContact O-N 3.39Å; L70-V73 PolarHBondContact O-N 2.98Å; V73-E75 PolarHBondContact O-N 2.89Å; V73-R76 WeakPolarHBondContact O-CB 3.38Å; V73-R76 PolarHBondContact O-N 2.98Å; V73-Q77 WeakPolarHBondContact O-CG 3.45Å; V73-Q77 PolarHBondContact O-N 3.26Å
74R98.6Very high98Very high190 Ų190103 Ų10372%0.71750%0.501SS*.Hα-helixtrans-62.2-42.3178.1-172.5179.7-178.5176.11.3112.5L70 A71 N72 R76 Q77 R78L70-R74 PolarHBondContact O-N 3.43Å; A71-R74 PolarHBondContact O-N 3.34Å; N72-R74 VanDerWaalsContact C-N 3.32Å; N72-R74 PolarHBondContact O-N 3.15Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 2.92Å; R74-Q77 PolarHBondContact O-N 3.38Å; R74-R78 PolarHBondContact O-N 2.91Å
75E98.6Very high98.1Very high89 Ų89101.9 Ų101.942%0.41650%0.503SS..Hα-helixtrans-66.9-35.3178.1-170.558.4-151.200111.8A71 N72 V73 R78 T79A71-E75 PolarHBondContact O-N 2.94Å; N72-E75 PolarHBondContact O-N 3.27Å; V73-E75 PolarHBondContact O-N 2.89Å; E75-R78 PolarHBondContact O-N 3.5Å; E75-R78 IonicContact OE1-CZ 3.86Å; E75-R78 IonicContact OE1-NH1 3.87Å; E75-R78 PolarHBondContact OE1-NH1 3.25Å; E75-R78 IonicContact OE2-NH1 2.79Å; E75-R78 PolarHBondContact OE2-NH1 2.98Å; E75-T79 WeakPolarHBondContact O-CB 3.31Å; E75-T79 PolarHBondContact O-N 3.35Å; E75-T79 PolarHBondContact O-OG1 2.99Å
76R98.7Very high98.2Very high184 Ų18499.8 Ų99.869%0.69449%0.493SS*.Hα-helixtrans-62.1-44.8172.3-170.2-179.4-172.8-85.52.6111.5N72 V73 R74 T79 Q80N72-R76 PolarHBondContact O-N 3.41Å; V73-R76 WeakPolarHBondContact O-CB 3.38Å; V73-R76 PolarHBondContact O-N 2.98Å; R74-R76 VanDerWaalsContact C-N 3.32Å; R74-R76 PolarHBondContact O-N 2.92Å; R76-T79 PolarHBondContact O-N 3.4Å; R76-Q80 WeakPolarHBondContact O-CB 3.31Å; R76-Q80 PolarHBondContact O-N 3.42Å
77Q98.7Very high98.3Very high117 Ų11798.8 Ų98.855%0.54749%0.489SS..Hα-helixtrans-62.1-43.4176.4-72174.8-11.200112V73 R74 T79 Q80 S81V73-Q77 WeakPolarHBondContact O-CG 3.45Å; V73-Q77 PolarHBondContact O-N 3.26Å; R74-Q77 PolarHBondContact O-N 3.38Å; Q77-T79 VanDerWaalsContact C-N 3.33Å; Q77-T79 PolarHBondContact O-N 2.95Å; Q77-Q80 WeakPolarHBondContact O-CB 3.5Å; Q77-Q80 PolarHBondContact O-N 2.93Å; Q77-S81 PolarHBondContact O-N 2.97Å
78R98.7Very high98.4Very high169 Ų16996.9 Ų96.964%0.63849%0.489SS*.Hα-helixtrans-58.4-45.7174.3-179.4-174.5171.6-140.61.9111.6R74 E75 Q80 S81 L82R74-R78 PolarHBondContact O-N 2.91Å; E75-R78 PolarHBondContact O-N 3.5Å; E75-R78 IonicContact OE1-CZ 3.86Å; E75-R78 IonicContact OE1-NH1 3.87Å; E75-R78 PolarHBondContact OE1-NH1 3.25Å; E75-R78 IonicContact OE2-NH1 2.79Å; E75-R78 PolarHBondContact OE2-NH1 2.98Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; R78-S81 PolarHBondContact O-N 3.38Å; R78-L82 PolarHBondContact O-N 3.21Å; R78-L82 VanDerWaalsContact O-N 3.09Å
79T98.7Very high98.4Very high61 Ų6191.5 Ų91.537%0.37447%0.472SS..Hα-helixtrans-65.2-38.1178-59.20000111.9E75 R76 Q77 L82 N83E75-T79 WeakPolarHBondContact O-CB 3.31Å; E75-T79 PolarHBondContact O-N 3.35Å; E75-T79 PolarHBondContact O-OG1 2.99Å; R76-T79 PolarHBondContact O-N 3.4Å; Q77-T79 VanDerWaalsContact C-N 3.33Å; Q77-T79 PolarHBondContact O-N 2.95Å; T79-L82 PolarHBondContact O-N 3.4Å; T79-N83 VanDerWaalsContact O-CG 3.29Å; T79-N83 PolarHBondContact O-N 3.37Å; T79-N83 PolarHBondContact O-ND2 2.91Å
80Q98.7Very high98.4Very high91 Ų9190.8 Ų90.843%0.42546%0.464SS..Hα-helixtrans-60.5-50.5174.4179.3-177.5-11.600111.3R76 Q77 R78 L82 N83 E84R76-Q80 WeakPolarHBondContact O-CB 3.31Å; R76-Q80 PolarHBondContact O-N 3.42Å; Q77-Q80 WeakPolarHBondContact O-CB 3.5Å; Q77-Q80 PolarHBondContact O-N 2.93Å; R78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-L82 VanDerWaalsContact C-N 3.28Å; Q80-L82 PolarHBondContact O-N 3.16Å; Q80-N83 WeakPolarHBondContact O-CB 3.39Å; Q80-N83 PolarHBondContact O-N 3.16Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.44Å; Q80-E84 PolarHBondContact NE2-OE1 3.16Å; Q80-E84 WeakPolarHBondContact O-CG 3.3Å; Q80-E84 PolarHBondContact O-N 3.37Å
81S98.5Very high98.3Very high74 Ų7493.5 Ų93.552%0.51747%0.47SS..Hα-helixtrans-57.1-41.3177.4175.70000112.2Q77 R78 N83 E84 A85Q77-S81 PolarHBondContact O-N 2.97Å; R78-S81 PolarHBondContact O-N 3.38Å; S81-N83 PolarHBondContact O-N 3.05Å; S81-E84 PolarHBondContact O-N 3.33Å; S81-A85 PolarHBondContact O-N 2.86Å
82L98.5Very high98.3Very high86 Ų8696.3 Ų96.345%0.4548%0.477SS..Hα-helixtrans-62.1-41.8174.1-178.8153.6000112R78 T79 Q80 E84 A85 F86R78-L82 PolarHBondContact O-N 3.21Å; R78-L82 VanDerWaalsContact O-N 3.09Å; T79-L82 PolarHBondContact O-N 3.4Å; Q80-L82 VanDerWaalsContact C-N 3.28Å; Q80-L82 PolarHBondContact O-N 3.16Å; L82-E84 VanDerWaalsContact C-N 3.35Å; L82-A85 PolarHBondContact O-N 3.45Å; L82-F86 HydrophobicContact CD2-CD2 3.64Å; L82-F86 HydrophobicContact CD2-CE2 3.75Å; L82-F86 HydrophobicContact CG-CD2 4.39Å; L82-F86 HydrophobicContact CG-CE2 4.47Å; L82-F86 WeakPolarHBondContact O-CD2 3.3Å; L82-F86 PolarHBondContact O-N 2.89Å
83N98.4Very high98.1Very high65 Ų6592 Ų9235%0.34845%0.453SS..Hα-helixtrans-68.1-35.2178.9-70.8-28.2000112.2T79 Q80 S81 F86 A87 K103T79-N83 VanDerWaalsContact O-CG 3.29Å; T79-N83 PolarHBondContact O-N 3.37Å; T79-N83 PolarHBondContact O-ND2 2.91Å; Q80-N83 WeakPolarHBondContact O-CB 3.39Å; Q80-N83 PolarHBondContact O-N 3.16Å; S81-N83 PolarHBondContact O-N 3.05Å; N83-F86 WeakPolarHBondContact O-CB 3.36Å; N83-F86 PolarHBondContact O-N 3.49Å; N83-A87 PolarHBondContact O-N 2.83Å; N83-K103 VanDerWaalsContact OD1-CE 3.32Å; N83-K103 WeakPolarHBondContact OD1-CE 3.34Å; N83-K103 PolarHBondContact OD1-NZ 3.11Å
84E98.7Very high97.9Very high110 Ų11090.1 Ų90.151%0.51444%0.442SS..Hα-helixtrans-62.6-42.6172.9-71.6169.1-170.900111.2Q80 S81 L82 F86 A87 A88Q80-E84 WeakPolarHBondContact CG-OE1 3.44Å; Q80-E84 PolarHBondContact NE2-OE1 3.16Å; Q80-E84 WeakPolarHBondContact O-CG 3.3Å; Q80-E84 PolarHBondContact O-N 3.37Å; S81-E84 PolarHBondContact O-N 3.33Å; L82-E84 VanDerWaalsContact C-N 3.35Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 3.11Å; E84-A87 WeakPolarHBondContact O-CB 3.47Å; E84-A87 PolarHBondContact O-N 2.81Å; E84-A87 VanDerWaalsContact O-N 3.08Å; E84-A88 PolarHBondContact O-N 2.96Å
85A98.6Very high97.5Very high62 Ų6282.9 Ų82.951%0.51242%0.42SS..Hα-helixtrans-61.4-40.9173.400000112.3S81 L82 A87 A88 L89S81-A85 PolarHBondContact O-N 2.86Å; L82-A85 PolarHBondContact O-N 3.45Å; A85-A87 VanDerWaalsContact C-N 3.31Å; A85-A87 PolarHBondContact O-N 3.4Å; A85-A88 PolarHBondContact O-N 3.39Å; A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 PolarHBondContact O-N 2.98Å
86F98.6Very high97.1Very high31 Ų3183.6 Ų83.614%0.13643%0.425CS..Hα-helixtrans-62.4-37.3171.9-97.1-81.4000112.4L82 N83 E84 R90 K103 T106 L107L82-F86 HydrophobicContact CD2-CD2 3.64Å; L82-F86 HydrophobicContact CD2-CE2 3.75Å; L82-F86 HydrophobicContact CG-CD2 4.39Å; L82-F86 HydrophobicContact CG-CE2 4.47Å; L82-F86 WeakPolarHBondContact O-CD2 3.3Å; L82-F86 PolarHBondContact O-N 2.89Å; N83-F86 WeakPolarHBondContact O-CB 3.36Å; N83-F86 PolarHBondContact O-N 3.49Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-F86 PolarHBondContact O-N 3.11Å; F86-R90 VanDerWaalsContact C-NH1 3.27Å; F86-R90 WeakPolarHBondContact O-CG 3.1Å; F86-R90 PolarHBondContact O-N 3.49Å; F86-R90 VanDerWaalsContact O-N 3.11Å; F86-R90 PolarHBondContact O-NH1 2.81Å; F86-R90 VanDerWaalsContact O-NH1 3.11Å; F86-K103 HydrophobicContact CD1-CB 4.31Å; F86-K103 HydrophobicContact CD1-CG 4.11Å; F86-K103 HydrophobicContact CE1-CB 3.72Å; F86-K103 HydrophobicContact CE1-CG 3.96Å; F86-K103 HydrophobicContact CE2-CD 4.28Å; F86-K103 HydrophobicContact CE2-CG 4.44Å; F86-K103 HydrophobicContact CG-CG 4.43Å; F86-K103 HydrophobicContact CZ-CB 3.94Å; F86-K103 HydrophobicContact CZ-CD 4.32Å; F86-K103 HydrophobicContact CZ-CG 4.13Å; F86-T106 HydrophobicContact CD1-CG2 4.27Å; F86-L107 HydrophobicContact CE1-CD1 4.48Å; F86-L107 HydrophobicContact CE1-CD2 4.19Å; F86-L107 HydrophobicContact CE1-CG 4.04Å; F86-L107 HydrophobicContact CZ-CD1 4.2Å; F86-L107 HydrophobicContact CZ-CD2 4.22Å; F86-L107 HydrophobicContact CZ-CG 4.19Å
87A98Very high96.7Very high46 Ų4681.1 Ų81.138%0.3843%0.433SS..Hα-helixtrans-67.2-41.9176.300000111.4N83 E84 A85 R90 K91N83-A87 PolarHBondContact O-N 2.83Å; E84-A87 WeakPolarHBondContact O-CB 3.47Å; E84-A87 PolarHBondContact O-N 2.81Å; E84-A87 VanDerWaalsContact O-N 3.08Å; A85-A87 VanDerWaalsContact C-N 3.31Å; A85-A87 PolarHBondContact O-N 3.4Å; A87-R90 PolarHBondContact O-N 2.9Å; A87-K91 PolarHBondContact O-N 3.3Å
88A98.3Very high96.2Very high55 Ų5579.6 Ų79.646%0.45544%0.436SS..Hα-helixtrans-61.5-45.1174.100000111.7E84 A85 R90 K91E84-A88 PolarHBondContact O-N 2.96Å; A85-A88 PolarHBondContact O-N 3.39Å; A88-R90 VanDerWaalsContact C-N 3.35Å; A88-R90 PolarHBondContact O-N 3.12Å; A88-K91 WeakPolarHBondContact O-CB 3.37Å; A88-K91 PolarHBondContact O-N 3.33Å; A88-K91 VanDerWaalsContact O-N 3.16Å
89L98.4Very high95.8Very high49 Ų4974.3 Ų74.326%0.25742%0.42SS..Hα-helixtrans-58.1-45.2176.8-178.257.9000111.6A85 K91 I92 I93 T106 A110A85-L89 WeakPolarHBondContact O-CB 3.36Å; A85-L89 PolarHBondContact O-N 2.98Å; L89-K91 PolarHBondContact O-N 2.92Å; L89-K91 VanDerWaalsContact O-N 3.16Å; L89-I92 HydrophobicContact CD1-CD1 4.12Å; L89-I92 HydrophobicContact CD1-CG1 4.22Å; L89-I92 WeakPolarHBondContact O-CG1 3.42Å; L89-I92 PolarHBondContact O-N 3.39Å; L89-I92 VanDerWaalsContact O-N 3.11Å; L89-I93 HydrophobicContact CD1-CD1 3.95Å; L89-I93 HydrophobicContact CG-CD1 4.21Å; L89-I93 HydrophobicContact CG-CG1 4.49Å; L89-I93 WeakPolarHBondContact O-CG1 3.42Å; L89-I93 PolarHBondContact O-N 3.11Å; L89-T106 HydrophobicContact CB-CG2 4.34Å; L89-T106 HydrophobicContact CD2-CG2 3.74Å; L89-T106 HydrophobicContact CG-CG2 3.82Å; L89-A110 HydrophobicContact CD1-CB 4.28Å; L89-A110 HydrophobicContact CD2-CB 4.35Å
90R97.1Very high95.5Very high79 Ų7980.2 Ų80.230%0.29844%0.44SS..Hα-helixtrans-57.9-29.8178.6-73.9-176.7-163.492.2-6.8113.9F86 A87 A88 I92 I93 L101 T106F86-R90 VanDerWaalsContact C-NH1 3.27Å; F86-R90 WeakPolarHBondContact O-CG 3.1Å; F86-R90 PolarHBondContact O-N 3.49Å; F86-R90 VanDerWaalsContact O-N 3.11Å; F86-R90 PolarHBondContact O-NH1 2.81Å; F86-R90 VanDerWaalsContact O-NH1 3.11Å; A87-R90 PolarHBondContact O-N 2.9Å; A88-R90 VanDerWaalsContact C-N 3.35Å; A88-R90 PolarHBondContact O-N 3.12Å; R90-I92 PolarHBondContact O-N 3.34Å; R90-I93 PolarHBondContact O-N 2.91Å; R90-L101 HydrophobicContact CG-CB 4.44Å; R90-L101 HydrophobicContact CG-CD1 4.49Å; R90-L101 PolarHBondContact NE-O 3.46Å; R90-L101 PolarHBondContact NH2-O 2.91Å; R90-T106 HydrophobicContact CG-CG2 3.75Å; R90-T106 PolarHBondContact NE-OG1 3.42Å
91K96.6Very high95.3Very high181 Ų18176.9 Ų76.979%0.78743%0.425SS*.Hα-helixtrans-66-25.5180-66.7178.7179-178.10113.3A87 A88 L89A87-K91 PolarHBondContact O-N 3.3Å; A88-K91 WeakPolarHBondContact O-CB 3.37Å; A88-K91 PolarHBondContact O-N 3.33Å; A88-K91 VanDerWaalsContact O-N 3.16Å; L89-K91 PolarHBondContact O-N 2.92Å; L89-K91 VanDerWaalsContact O-N 3.16Å
92I96.7Very high95.2Very high115 Ų11575.6 Ų75.659%0.5942%0.417SS*.Hα-helixtrans-104.1-4.1-178.563.5163.1000112.7L89 R90L89-I92 HydrophobicContact CD1-CD1 4.12Å; L89-I92 HydrophobicContact CD1-CG1 4.22Å; L89-I92 WeakPolarHBondContact O-CG1 3.42Å; L89-I92 PolarHBondContact O-N 3.39Å; L89-I92 VanDerWaalsContact O-N 3.11Å; R90-I92 PolarHBondContact O-N 3.34Å
93I95.2Very high95.1Very high10 Ų1076 Ų765%0.05142%0.415CS..SBendtrans-77.2128.1172.8-54.7-48000108L89 R90 T95 L101 T106 L109 A110L89-I93 HydrophobicContact CD1-CD1 3.95Å; L89-I93 HydrophobicContact CG-CD1 4.21Å; L89-I93 HydrophobicContact CG-CG1 4.49Å; L89-I93 WeakPolarHBondContact O-CG1 3.42Å; L89-I93 PolarHBondContact O-N 3.11Å; R90-I93 PolarHBondContact O-N 2.91Å; I93-T95 VanDerWaalsContact C-N 3.35Å; I93-T95 HydrophobicContact CG2-CG2 3.85Å; I93-T95 PolarHBondContact O-N 3.33Å; I93-L101 HydrophobicContact CB-CD1 4.33Å; I93-L101 HydrophobicContact CG2-CD1 4.13Å; I93-T106 HydrophobicContact CG1-CG2 4.31Å; I93-L109 HydrophobicContact CG2-CB 3.57Å; I93-L109 HydrophobicContact CG2-CD1 4.06Å; I93-L109 HydrophobicContact CG2-CG 4.38Å; I93-A110 HydrophobicContact CD1-CB 3.69Å
94P93.4Very high95.1Very high28 Ų2877.8 Ų77.818%0.18242%0.423CS..  trans-78.880.9-174.633.7-38.8000112Y113 F145 W148P94-Y113 HydrophobicContact CG-CD1 4.26Å; P94-Y113 HydrophobicContact CG-CD2 3.72Å; P94-Y113 HydrophobicContact CG-CE1 4.36Å; P94-Y113 HydrophobicContact CG-CE2 3.85Å; P94-Y113 HydrophobicContact CG-CG 3.95Å; P94-F145 HydrophobicContact CB-CE2 3.55Å; P94-F145 HydrophobicContact CB-CZ 3.57Å; P94-F145 HydrophobicContact CG-CE2 3.82Å; P94-F145 HydrophobicContact CG-CZ 4.3Å; P94-W148 HydrophobicContact CG-CH2 4.04Å; P94-W148 HydrophobicContact CG-CZ3 3.79Å
95T90.9Very high94.9Very high39 Ų3977 Ų7724%0.23942%0.419CS..  trans-122.3174.7178.260.70000112.7I93 D99 L101 L109I93-T95 VanDerWaalsContact C-N 3.35Å; I93-T95 HydrophobicContact CG2-CG2 3.85Å; I93-T95 PolarHBondContact O-N 3.33Å; T95-D99 WeakPolarHBondContact CB-OD2 2.97Å; T95-L101 HydrophobicContact CG2-CD1 3.87Å; T95-L101 HydrophobicContact CG2-CD2 4.28Å; T95-L101 HydrophobicContact CG2-CG 4.48Å; T95-L109 HydrophobicContact CG2-CD1 3.89Å
96L90.4Very high94.8Very high103 Ų10374 Ų7454%0.53940%0.395SS..  trans-71.6149.4173-60.5173000110.4S98 D99L96-S98 PolarHBondContact O-N 2.89Å; L96-S98 VanDerWaalsContact O-N 3.12Å; L96-D99 WeakPolarHBondContact CB-OD2 3.34Å; L96-D99 PolarHBondContact N-OD2 3.08Å; L96-D99 WeakPolarHBondContact O-CB 3.4Å; L96-D99 PolarHBondContact O-N 3.45Å
97P88.8Confident94.8Very high133 Ų13376.8 Ų76.886%0.86441%0.411SS*.THydrogen-bonded Turntrans-58.4-26.3178.1-2634.9000114.5D99P97-D99 VanDerWaalsContact C-N 3.32Å
98S90Very high94.6Very high85 Ų8579.5 Ų79.559%0.59441%0.414SS*.THydrogen-bonded Turntrans-74.4-19.7176.2500000113.6L96 K100L96-S98 PolarHBondContact O-N 2.89Å; L96-S98 VanDerWaalsContact O-N 3.12Å; S98-K100 PolarHBondContact O-N 3.38Å
99D90.3Very high94.5Very high58 Ų5877.4 Ų77.431%0.3140%0.395SS..  trans-71.5126.9-167-65.8-16.9000111.6T95 L96 P97T95-D99 WeakPolarHBondContact CB-OD2 2.97Å; L96-D99 WeakPolarHBondContact CB-OD2 3.34Å; L96-D99 PolarHBondContact N-OD2 3.08Å; L96-D99 WeakPolarHBondContact O-CB 3.4Å; L96-D99 PolarHBondContact O-N 3.45Å; P97-D99 VanDerWaalsContact C-N 3.32Å
100K92.2Very high94.4Very high184 Ų18475.7 Ų75.780%0.839%0.388SS*.  trans-103.493.1176.5-60-56.2-179.5-169.60109.9S98 S102S98-K100 PolarHBondContact O-N 3.38Å; K100-S102 PolarHBondContact O-N 3.44Å
101L93.6Very high94.4Very high21 Ų2174.2 Ų74.211%0.1139%0.393CS..  trans-79.6120.5-179.4-56.1180000111.9R90 I93 T95 Q105 T106 L109R90-L101 HydrophobicContact CG-CB 4.44Å; R90-L101 HydrophobicContact CG-CD1 4.49Å; R90-L101 PolarHBondContact NE-O 3.46Å; R90-L101 PolarHBondContact NH2-O 2.91Å; I93-L101 HydrophobicContact CB-CD1 4.33Å; I93-L101 HydrophobicContact CG2-CD1 4.13Å; T95-L101 HydrophobicContact CG2-CD1 3.87Å; T95-L101 HydrophobicContact CG2-CD2 4.28Å; T95-L101 HydrophobicContact CG2-CG 4.48Å; L101-Q105 HydrophobicContact CB-CB 4.43Å; L101-Q105 HydrophobicContact CD2-CB 4.33Å; L101-T106 WeakPolarHBondContact CB-OG1 3.41Å; L101-L109 HydrophobicContact CD1-CD1 3.78Å; L101-L109 HydrophobicContact CD2-CD1 3.62Å; L101-L109 HydrophobicContact CG-CD1 4.34Å
102S96.6Very high94.3Very high48 Ų4868.5 Ų68.534%0.33637%0.366SS..  trans-60.9166.9163.967.70000111.2K100 I104 Q105 T106K100-S102 PolarHBondContact O-N 3.44Å; S102-I104 VanDerWaalsContact C-N 3.31Å; S102-I104 PolarHBondContact O-N 3.11Å; S102-I104 WeakPolarHBondContact OG-CG2 3.35Å; S102-Q105 PolarHBondContact O-N 2.88Å; S102-Q105 WeakPolarHBondContact OG-CB 3.28Å; S102-Q105 VanDerWaalsContact OG-CG 3.3Å; S102-Q105 WeakPolarHBondContact OG-CG 3.39Å; S102-Q105 PolarHBondContact OG-N 3.04Å; S102-Q105 PolarHBondContact OG-OE1 2.79Å; S102-T106 WeakPolarHBondContact O-CB 3.45Å; S102-T106 PolarHBondContact O-N 2.89Å; S102-T106 PolarHBondContact O-OG1 2.97Å
103K97.3Very high94.3Very high95 Ų9566.2 Ų66.241%0.41335%0.351SS..Hα-helixtrans-58.1-44.7178.5-68.5-174.8177.4-174.30111.5N83 F86 T106 L107N83-K103 VanDerWaalsContact OD1-CE 3.32Å; N83-K103 WeakPolarHBondContact OD1-CE 3.34Å; N83-K103 PolarHBondContact OD1-NZ 3.11Å; F86-K103 HydrophobicContact CD1-CB 4.31Å; F86-K103 HydrophobicContact CD1-CG 4.11Å; F86-K103 HydrophobicContact CE1-CB 3.72Å; F86-K103 HydrophobicContact CE1-CG 3.96Å; F86-K103 HydrophobicContact CE2-CD 4.28Å; F86-K103 HydrophobicContact CE2-CG 4.44Å; F86-K103 HydrophobicContact CG-CG 4.43Å; F86-K103 HydrophobicContact CZ-CB 3.94Å; F86-K103 HydrophobicContact CZ-CD 4.32Å; F86-K103 HydrophobicContact CZ-CG 4.13Å; K103-T106 PolarHBondContact O-N 3.34Å; K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 3.34Å
104I97Very high94.4Very high102 Ų10271 Ų7152%0.52338%0.376SS..Hα-helixtrans-67.1-41.7-179.7-173.460.1000112.2S102 T106 L107 K108S102-I104 VanDerWaalsContact C-N 3.31Å; S102-I104 PolarHBondContact O-N 3.11Å; S102-I104 WeakPolarHBondContact OG-CG2 3.35Å; I104-T106 VanDerWaalsContact C-N 3.35Å; I104-T106 PolarHBondContact O-N 3.3Å; I104-L107 PolarHBondContact O-N 2.92Å; I104-K108 HydrophobicContact CG1-CD 4.48Å; I104-K108 WeakPolarHBondContact O-CG 3.48Å; I104-K108 PolarHBondContact O-N 3.09Å
105Q94.7Very high94.6Very high92 Ų9273.9 Ų73.943%0.4339%0.389SS..Hα-helixtrans-63.6-42.2176.7-74.2166.9-49.400111.6L101 S102 L107 K108 L109L101-Q105 HydrophobicContact CB-CB 4.43Å; L101-Q105 HydrophobicContact CD2-CB 4.33Å; S102-Q105 PolarHBondContact O-N 2.88Å; S102-Q105 WeakPolarHBondContact OG-CB 3.28Å; S102-Q105 VanDerWaalsContact OG-CG 3.3Å; S102-Q105 WeakPolarHBondContact OG-CG 3.39Å; S102-Q105 PolarHBondContact OG-N 3.04Å; S102-Q105 PolarHBondContact OG-OE1 2.79Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.32Å; Q105-K108 PolarHBondContact O-N 3.07Å; Q105-L109 WeakPolarHBondContact O-CB 3.4Å; Q105-L109 WeakPolarHBondContact O-CG 3.44Å; Q105-L109 PolarHBondContact O-N 3.4Å
106T97Very high94.7Very high0 Ų072.7 Ų72.70%038%0.381CS..Hα-helixtrans-56.9-46.2177.5-52.90000110.5F86 L89 R90 I93 L101 S102 K103 I104 A110F86-T106 HydrophobicContact CD1-CG2 4.27Å; L89-T106 HydrophobicContact CB-CG2 4.34Å; L89-T106 HydrophobicContact CD2-CG2 3.74Å; L89-T106 HydrophobicContact CG-CG2 3.82Å; R90-T106 HydrophobicContact CG-CG2 3.75Å; R90-T106 PolarHBondContact NE-OG1 3.42Å; I93-T106 HydrophobicContact CG1-CG2 4.31Å; L101-T106 WeakPolarHBondContact CB-OG1 3.41Å; S102-T106 WeakPolarHBondContact O-CB 3.45Å; S102-T106 PolarHBondContact O-N 2.89Å; S102-T106 PolarHBondContact O-OG1 2.97Å; K103-T106 PolarHBondContact O-N 3.34Å; I104-T106 VanDerWaalsContact C-N 3.35Å; I104-T106 PolarHBondContact O-N 3.3Å; T106-A110 VanDerWaalsContact O-CB 3.28Å; T106-A110 WeakPolarHBondContact O-CB 3.41Å; T106-A110 PolarHBondContact O-N 2.97Å
107L98Very high95Very high90 Ų9070.8 Ų70.847%0.47137%0.371SS..Hα-helixtrans-66-45.9178.5-65.7173.9000112.4F86 K103 I104 Q105 L109 A110 A111F86-L107 HydrophobicContact CE1-CD1 4.48Å; F86-L107 HydrophobicContact CE1-CD2 4.19Å; F86-L107 HydrophobicContact CE1-CG 4.04Å; F86-L107 HydrophobicContact CZ-CD1 4.2Å; F86-L107 HydrophobicContact CZ-CD2 4.22Å; F86-L107 HydrophobicContact CZ-CG 4.19Å; K103-L107 WeakPolarHBondContact O-CG 3.38Å; K103-L107 PolarHBondContact O-N 3.34Å; I104-L107 PolarHBondContact O-N 2.92Å; Q105-L107 VanDerWaalsContact C-N 3.3Å; Q105-L107 PolarHBondContact O-N 3.32Å; L107-L109 VanDerWaalsContact C-N 3.32Å; L107-L109 PolarHBondContact O-N 3.4Å; L107-A110 PolarHBondContact O-N 3Å; L107-A111 PolarHBondContact O-N 3.06Å
108K95.3Very high95.3Very high102 Ų10272 Ų7244%0.44336%0.359SS..Hα-helixtrans-62-38.6178.4-76.7-174.5171.2-172.40112.6I104 Q105 R112I104-K108 HydrophobicContact CG1-CD 4.48Å; I104-K108 WeakPolarHBondContact O-CG 3.48Å; I104-K108 PolarHBondContact O-N 3.09Å; Q105-K108 PolarHBondContact O-N 3.07Å; K108-R112 WeakPolarHBondContact O-CG 3.39Å; K108-R112 PolarHBondContact O-N 3.39Å; K108-R112 PolarHBondContact O-NE 3.46Å; K108-R112 VanDerWaalsContact O-NE 3.11Å
109L94.6Very high95.5Very high11 Ų1174.2 Ų74.26%0.05836%0.36CS..Hα-helixtrans-72.8-40.7176.6-75.2168.5000111.5I93 T95 L101 Q105 L107 A111 R112 Y113 W154I93-L109 HydrophobicContact CG2-CB 3.57Å; I93-L109 HydrophobicContact CG2-CD1 4.06Å; I93-L109 HydrophobicContact CG2-CG 4.38Å; T95-L109 HydrophobicContact CG2-CD1 3.89Å; L101-L109 HydrophobicContact CD1-CD1 3.78Å; L101-L109 HydrophobicContact CD2-CD1 3.62Å; L101-L109 HydrophobicContact CG-CD1 4.34Å; Q105-L109 WeakPolarHBondContact O-CB 3.4Å; Q105-L109 WeakPolarHBondContact O-CG 3.44Å; Q105-L109 PolarHBondContact O-N 3.4Å; L107-L109 VanDerWaalsContact C-N 3.32Å; L107-L109 PolarHBondContact O-N 3.4Å; L109-A111 PolarHBondContact O-N 3.34Å; L109-R112 PolarHBondContact O-N 2.76Å; L109-Y113 VanDerWaalsContact O-CB 3.3Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.29Å; L109-W154 HydrophobicContact CD2-CB 3.72Å; L109-W154 HydrophobicContact CD2-CD2 4.39Å; L109-W154 HydrophobicContact CD2-CE3 4.33Å; L109-W154 HydrophobicContact CD2-CG 4.2Å
110A97.4Very high95.6Very high13 Ų1372.7 Ų72.711%0.10735%0.353CS..Hα-helixtrans-57.7-49.2175.500000111.9L89 I93 T106 L107 R112 Y113 I114L89-A110 HydrophobicContact CD1-CB 4.28Å; L89-A110 HydrophobicContact CD2-CB 4.35Å; I93-A110 HydrophobicContact CD1-CB 3.69Å; T106-A110 VanDerWaalsContact O-CB 3.28Å; T106-A110 WeakPolarHBondContact O-CB 3.41Å; T106-A110 PolarHBondContact O-N 2.97Å; L107-A110 PolarHBondContact O-N 3Å; A110-R112 PolarHBondContact O-N 3.28Å; A110-Y113 PolarHBondContact O-N 2.99Å; A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.38Å
111A96.9Very high95.6Very high49 Ų4969.4 Ų69.441%0.40534%0.344SS..Hα-helixtrans-57.4-50.3178.400000111.7L107 L109 Y113 I114 D115L107-A111 PolarHBondContact O-N 3.06Å; L109-A111 PolarHBondContact O-N 3.34Å; A111-Y113 VanDerWaalsContact C-N 3.29Å; A111-Y113 PolarHBondContact O-N 3Å; A111-I114 WeakPolarHBondContact O-CB 3.47Å; A111-I114 PolarHBondContact O-N 3.34Å; A111-I114 VanDerWaalsContact O-N 3.16Å; A111-D115 PolarHBondContact O-N 3.18Å
112R94.3Very high95.4Very high61 Ų6172.4 Ų72.423%0.2336%0.357CS..Hα-helixtrans-65.9-31178.6-72-177.2-69.1-175.7-6.4113.9K108 L109 A110 D115 F116 W148 A153 W154K108-R112 WeakPolarHBondContact O-CG 3.39Å; K108-R112 PolarHBondContact O-N 3.39Å; K108-R112 PolarHBondContact O-NE 3.46Å; K108-R112 VanDerWaalsContact O-NE 3.11Å; L109-R112 PolarHBondContact O-N 2.76Å; A110-R112 PolarHBondContact O-N 3.28Å; R112-D115 PolarHBondContact O-N 3.49Å; R112-F116 WeakPolarHBondContact O-CB 3.44Å; R112-F116 PolarHBondContact O-N 3.41Å; R112-W148 HydrophobicContact CB-CZ2 4Å; R112-A153 PolarHBondContact NH1-O 3.48Å; R112-W154 VanDerWaalsContact CZ-CB 3.5Å; R112-W154 VanDerWaalsContact NH1-CB 3.32Å; R112-W154 VanDerWaalsContact NH1-N 3.15Å
113Y96.5Very high94.8Very high66 Ų6673.1 Ų73.126%0.25936%0.362SS..Hα-helixtrans-69.7-38175.8-175.5-136.2000110.9P94 L109 A110 A111 F116 L117 W148P94-Y113 HydrophobicContact CG-CD1 4.26Å; P94-Y113 HydrophobicContact CG-CD2 3.72Å; P94-Y113 HydrophobicContact CG-CE1 4.36Å; P94-Y113 HydrophobicContact CG-CE2 3.85Å; P94-Y113 HydrophobicContact CG-CG 3.95Å; L109-Y113 VanDerWaalsContact O-CB 3.3Å; L109-Y113 WeakPolarHBondContact O-CB 3.48Å; L109-Y113 PolarHBondContact O-N 3.29Å; A110-Y113 PolarHBondContact O-N 2.99Å; A111-Y113 VanDerWaalsContact C-N 3.29Å; A111-Y113 PolarHBondContact O-N 3Å; Y113-F116 AromaticContact CD2-CD1 3.93Å; Y113-F116 HydrophobicContact CD2-CD1 3.93Å; Y113-F116 AromaticContact CE2-CD1 3.97Å; Y113-F116 HydrophobicContact CE2-CD1 3.97Å; Y113-F116 HydrophobicContact CE2-CE1 4.37Å; Y113-F116 PolarHBondContact O-N 2.95Å; Y113-L117 HydrophobicContact CD1-CD1 4.32Å; Y113-L117 HydrophobicContact CD2-CD1 4.4Å; Y113-L117 HydrophobicContact CD2-CG 4.16Å; Y113-L117 HydrophobicContact CE1-CD1 3.93Å; Y113-L117 HydrophobicContact CE2-CD1 3.99Å; Y113-L117 HydrophobicContact CE2-CD2 3.87Å; Y113-L117 HydrophobicContact CE2-CG 3.81Å; Y113-L117 VanDerWaalsContact O-CG 3.31Å; Y113-L117 WeakPolarHBondContact O-CG 3.48Å; Y113-L117 PolarHBondContact O-N 2.77Å; Y113-W148 HydrophobicContact CD2-CH2 4.32Å
114I97.5Very high94.1Very high112 Ų11271.6 Ų71.657%0.57436%0.359SS*.Hα-helixtrans-59.4-49.2169.9-65.4163.3000110.1A110 A111 F116 L117 Y118A110-I114 WeakPolarHBondContact O-CG1 3.48Å; A110-I114 PolarHBondContact O-N 3.38Å; A111-I114 WeakPolarHBondContact O-CB 3.47Å; A111-I114 PolarHBondContact O-N 3.34Å; A111-I114 VanDerWaalsContact O-N 3.16Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 3.29Å; I114-L117 PolarHBondContact O-N 3.48Å; I114-Y118 WeakPolarHBondContact O-CB 3.49Å; I114-Y118 PolarHBondContact O-N 2.95Å
115D96.4Very high93.2Very high88 Ų8872.3 Ų72.347%0.47136%0.36SS..Hα-helixtrans-60.8-38.9179.9-61.7-30000112.3A111 R112 Y118 Q119A111-D115 PolarHBondContact O-N 3.18Å; R112-D115 PolarHBondContact O-N 3.49Å; D115-Y118 PolarHBondContact O-N 3.39Å; D115-Q119 WeakPolarHBondContact O-CG 3.46Å; D115-Q119 PolarHBondContact O-N 3.44Å; D115-Q119 PolarHBondContact O-NE2 3.02Å
116F94.8Very high92.2Very high14 Ų1474.8 Ų74.86%0.06137%0.373CS..Hα-helixtrans-62.9-51.1174.9167.4-105.6000111.9R112 Y113 I114 Y118 Q119 V120 A144 F145 W148R112-F116 WeakPolarHBondContact O-CB 3.44Å; R112-F116 PolarHBondContact O-N 3.41Å; Y113-F116 AromaticContact CD2-CD1 3.93Å; Y113-F116 HydrophobicContact CD2-CD1 3.93Å; Y113-F116 AromaticContact CE2-CD1 3.97Å; Y113-F116 HydrophobicContact CE2-CD1 3.97Å; Y113-F116 HydrophobicContact CE2-CE1 4.37Å; Y113-F116 PolarHBondContact O-N 2.95Å; I114-F116 VanDerWaalsContact C-N 3.29Å; I114-F116 PolarHBondContact O-N 3.29Å; F116-Y118 PolarHBondContact O-N 3.35Å; F116-Q119 PolarHBondContact O-N 3.4Å; F116-Q119 VanDerWaalsContact O-N 3.15Å; F116-V120 HydrophobicContact CD1-CG2 4.5Å; F116-V120 HydrophobicContact CD2-CG2 4.13Å; F116-V120 HydrophobicContact CE1-CG2 4.05Å; F116-V120 HydrophobicContact CE2-CG2 3.64Å; F116-V120 HydrophobicContact CZ-CG2 3.59Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.24Å; F116-A144 HydrophobicContact CE2-CB 4.18Å; F116-A144 HydrophobicContact CZ-CB 4.3Å; F116-F145 HydrophobicContact CE1-CB 4.43Å; F116-F145 HydrophobicContact CE1-CD2 4.06Å; F116-F145 HydrophobicContact CZ-CB 3.96Å; F116-F145 HydrophobicContact CZ-CD2 4.3Å; F116-W148 HydrophobicContact CB-CD2 4.24Å; F116-W148 HydrophobicContact CB-CG 4.15Å; F116-W148 HydrophobicContact CB-CZ2 4.44Å; F116-W148 HydrophobicContact CD2-CB 3.61Å; F116-W148 AromaticContact CD2-CD1 3.49Å; F116-W148 VanDerWaalsContact CD2-CD1 3.49Å; F116-W148 HydrophobicContact CD2-CD2 4.17Å; F116-W148 AromaticContact CD2-CG 3.46Å; F116-W148 HydrophobicContact CD2-CG 3.46Å; F116-W148 VanDerWaalsContact CD2-CG 3.46Å; F116-W148 HydrophobicContact CE2-CB 3.64Å; F116-W148 AromaticContact CE2-CG 3.99Å; F116-W148 HydrophobicContact CE2-CG 3.99Å; F116-W148 HydrophobicContact CG-CB 4.37Å; F116-W148 AromaticContact CG-CD1 3.79Å; F116-W148 HydrophobicContact CG-CD2 4.05Å; F116-W148 AromaticContact CG-CG 3.81Å; F116-W148 HydrophobicContact CG-CG 3.81Å; F116-W148 AromaticContact CG-NE1 3.99Å; F116-W148 HydrophobicContact CZ-CB 4.43Å
117L95.8Very high91Very high63 Ų6378.3 Ų78.333%0.3339%0.392SS..Hα-helixtrans-61.6-37.3179.4-68.8177.2000111.3Y113 I114 V120 L121Y113-L117 HydrophobicContact CD1-CD1 4.32Å; Y113-L117 HydrophobicContact CD2-CD1 4.4Å; Y113-L117 HydrophobicContact CD2-CG 4.16Å; Y113-L117 HydrophobicContact CE1-CD1 3.93Å; Y113-L117 HydrophobicContact CE2-CD1 3.99Å; Y113-L117 HydrophobicContact CE2-CD2 3.87Å; Y113-L117 HydrophobicContact CE2-CG 3.81Å; Y113-L117 VanDerWaalsContact O-CG 3.31Å; Y113-L117 WeakPolarHBondContact O-CG 3.48Å; Y113-L117 PolarHBondContact O-N 2.77Å; I114-L117 PolarHBondContact O-N 3.48Å; L117-V120 PolarHBondContact O-N 3.06Å; L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.31Å
118Y96.1Very high89.8Confident157 Ų15778.8 Ų78.862%0.61640%0.395SS*.Hα-helixtrans-60.5-46.4174.1-173.2-93.3000112.1I114 D115 F116 L121 Q122I114-Y118 WeakPolarHBondContact O-CB 3.49Å; I114-Y118 PolarHBondContact O-N 2.95Å; D115-Y118 PolarHBondContact O-N 3.39Å; F116-Y118 PolarHBondContact O-N 3.35Å; Y118-L121 PolarHBondContact O-N 3.28Å; Y118-Q122 PolarHBondContact O-N 3.24Å
119Q93.1Very high88.6Confident133 Ų13383.6 Ų83.662%0.62142%0.416SS*.Hα-helixtrans-63.4-41.7176.7-73.2173.661.300112.6D115 F116 Q122 S123D115-Q119 WeakPolarHBondContact O-CG 3.46Å; D115-Q119 PolarHBondContact O-N 3.44Å; D115-Q119 PolarHBondContact O-NE2 3.02Å; F116-Q119 PolarHBondContact O-N 3.4Å; F116-Q119 VanDerWaalsContact O-N 3.15Å; Q119-Q122 PolarHBondContact O-N 2.84Å; Q119-S123 PolarHBondContact O-N 3.39Å; Q119-S123 PolarHBondContact O-OG 3.27Å
120V92.5Very high87.4Confident26 Ų2687.7 Ų87.716%0.15844%0.436CS..Hα-helixtrans-59.7-48.5176.5170.80000110.4F116 L117 Q122 S123 D124 L141F116-V120 HydrophobicContact CD1-CG2 4.5Å; F116-V120 HydrophobicContact CD2-CG2 4.13Å; F116-V120 HydrophobicContact CE1-CG2 4.05Å; F116-V120 HydrophobicContact CE2-CG2 3.64Å; F116-V120 HydrophobicContact CZ-CG2 3.59Å; F116-V120 WeakPolarHBondContact O-CG2 3.42Å; F116-V120 PolarHBondContact O-N 3.24Å; L117-V120 PolarHBondContact O-N 3.06Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-Q122 PolarHBondContact O-N 3.37Å; V120-S123 PolarHBondContact O-N 3.38Å; V120-S123 PolarHBondContact O-OG 2.88Å; V120-D124 PolarHBondContact O-N 2.91Å; V120-L141 HydrophobicContact CG1-CD1 4.43Å
121L91.2Very high86.3Confident115 Ų11588.5 Ų88.560%0.60244%0.439SS*.Hα-helixtrans-61-42.6177.8-70.7171.3000112.2L117 Y118 S123 D124 E125L117-L121 VanDerWaalsContact O-CG 3.31Å; L117-L121 WeakPolarHBondContact O-CG 3.38Å; L117-L121 PolarHBondContact O-N 3.31Å; Y118-L121 PolarHBondContact O-N 3.28Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 2.94Å; L121-D124 WeakPolarHBondContact O-CB 3.3Å; L121-D124 PolarHBondContact O-N 3.04Å; L121-E125 PolarHBondContact O-N 3.37Å
122Q89.7Confident85.4Confident83 Ų8391.2 Ų91.239%0.38846%0.456SS..Hα-helixtrans-64.9-34.5178.5-170.460.174.300112.8Y118 Q119 V120 E125Y118-Q122 PolarHBondContact O-N 3.24Å; Q119-Q122 PolarHBondContact O-N 2.84Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-Q122 PolarHBondContact O-N 3.37Å; Q122-E125 PolarHBondContact NE2-OE2 3.48Å
123S85.3Confident84.6Confident64 Ų6491.5 Ų91.545%0.44847%0.466SS..Hα-helixtrans-71.8-33.3174.467.40000112.6Q119 V120 L121 M126 D127Q119-S123 PolarHBondContact O-N 3.39Å; Q119-S123 PolarHBondContact O-OG 3.27Å; V120-S123 PolarHBondContact O-N 3.38Å; V120-S123 PolarHBondContact O-OG 2.88Å; L121-S123 VanDerWaalsContact C-N 3.3Å; L121-S123 PolarHBondContact O-N 2.94Å; S123-M126 PolarHBondContact O-N 3.28Å; S123-D127 PolarHBondContact O-N 3.49Å
124D80.9Confident84.2Confident63 Ų6393.2 Ų93.234%0.33749%0.488SS..Hα-helixtrans-65.7-41.5-179.9-152.473.7000111.7V120 L121 M126 D127 N128 T131V120-D124 PolarHBondContact O-N 2.91Å; L121-D124 WeakPolarHBondContact O-CB 3.3Å; L121-D124 PolarHBondContact O-N 3.04Å; D124-M126 PolarHBondContact O-N 3.02Å; D124-M126 VanDerWaalsContact O-N 3.16Å; D124-D127 CarbonylContact O-C 3.37Å; D124-D127 WeakPolarHBondContact O-CA 3.45Å; D124-D127 PolarHBondContact O-N 3.32Å; D124-N128 PolarHBondContact O-N 3.45Å; D124-N128 PolarHBondContact O-OD1 2.96Å; D124-T131 VanDerWaalsContact CG-CG2 3.42Å; D124-T131 WeakPolarHBondContact OD1-CG2 3.46Å
125E79.5Confident83.8Confident117 Ų11795 Ų9555%0.54749%0.488SS..Hα-helixtrans-57.2-31.2176.4-70.2-176.715300112.7L121 Q122L121-E125 PolarHBondContact O-N 3.37Å; Q122-E125 PolarHBondContact NE2-OE2 3.48Å
126M72.7Confident83.4Confident144 Ų14492.7 Ų92.771%0.70948%0.477SS*.Hα-helixtrans-79.3-23.9177.3-58.6-61100.600112.2S123 D124S123-M126 PolarHBondContact O-N 3.28Å; D124-M126 PolarHBondContact O-N 3.02Å; D124-M126 VanDerWaalsContact O-N 3.16Å
127D73.4Confident83Confident73 Ų7393.4 Ų93.439%0.3949%0.486SS..  trans-11114.6-172.2-85.3-26.7000113.8S123 D124 K129 M130 T131 R140S123-D127 PolarHBondContact O-N 3.49Å; D124-D127 CarbonylContact O-C 3.37Å; D124-D127 WeakPolarHBondContact O-CA 3.45Å; D124-D127 PolarHBondContact O-N 3.32Å; D127-K129 PolarHBondContact O-N 2.98Å; D127-M130 PolarHBondContact O-N 2.86Å; D127-T131 HydrophobicContact CB-CG2 4.45Å; D127-R140 IonicContact OD2-CZ 3.38Å; D127-R140 IonicContact OD2-NH1 2.91Å; D127-R140 PolarHBondContact OD2-NH1 3Å
128N71.6Confident82.7Confident100 Ų10096.3 Ų96.354%0.53550%0.498SS..Hα-helixtrans-39.5-31.1-173-96.221.2000116.7D124 T131D124-N128 PolarHBondContact O-N 3.45Å; D124-N128 PolarHBondContact O-OD1 2.96Å; N128-T131 PolarHBondContact O-OG1 3.27Å
129K69.9Low82.6Confident204 Ų20493.4 Ų93.489%0.88749%0.49SS*.Hα-helixtrans-70.8-34178.5-64.8-177.1-178.1177.80112.9D127D127-K129 PolarHBondContact O-N 2.98Å
130M69.5Low82.5Confident97 Ų9791.8 Ų91.848%0.47848%0.478SS..Hα-helixtrans-82-23.3-176.5-158.971.3120.300112.3D127 S132 V136D127-M130 PolarHBondContact O-N 2.86Å; M130-S132 VanDerWaalsContact C-N 3.33Å; M130-S132 PolarHBondContact O-N 3.44Å; M130-V136 HydrophobicContact CG-CG1 3.79Å; M130-V136 HydrophobicContact SD-CG1 4.36Å
131T74.3Confident82.4Confident29 Ų2994.5 Ų94.518%0.17849%0.491CS..Hα-helixtrans-85.3-11.2-170.364.10000112.4D124 D127 N128 C133D124-T131 VanDerWaalsContact CG-CG2 3.42Å; D124-T131 WeakPolarHBondContact OD1-CG2 3.46Å; D127-T131 HydrophobicContact CB-CG2 4.45Å; N128-T131 PolarHBondContact O-OG1 3.27Å; T131-C133 PolarHBondContact O-N 2.97Å
132S77.6Confident82.6Confident107 Ų10791.1 Ų91.175%0.74848%0.477SS*.THydrogen-bonded Turntrans-63.9-18.1173.9-64.30000113.9M130M130-S132 VanDerWaalsContact C-N 3.33Å; M130-S132 PolarHBondContact O-N 3.44Å
133C79.2Confident82.7Confident66 Ų6695 Ų9545%0.44649%0.489SS..SBendtrans-99.4111.3175.2-175.50000110.3T131 Y135 V136 A137T131-C133 PolarHBondContact O-N 2.97Å; C133-Y135 VanDerWaalsContact C-N 3.27Å; C133-Y135 PolarHBondContact O-N 3.26Å; C133-V136 HydrophobicContact CB-CB 4.22Å; C133-V136 HydrophobicContact CB-CG2 4.1Å; C133-V136 PolarHBondContact O-N 3.37Å; C133-V136 VanDerWaalsContact O-N 3.14Å; C133-A137 PolarHBondContact O-N 3.42Å
134S87Confident83.1Confident103 Ų10393.5 Ų93.572%0.7248%0.48SS*.Hα-helixtrans-55-39.3-175.3590000113.7H138S134-H138 VanDerWaalsContact O-CB 3.31Å; S134-H138 WeakPolarHBondContact O-CB 3.48Å; S134-H138 PolarHBondContact O-N 2.93Å
135Y89.9Confident83.7Confident149 Ų14992.7 Ų92.758%0.58447%0.474SS*.Hα-helixtrans-63.4-49.4178.4-178.7-94000111.6C133 A137 H138 E139C133-Y135 VanDerWaalsContact C-N 3.27Å; C133-Y135 PolarHBondContact O-N 3.26Å; Y135-A137 PolarHBondContact O-N 2.96Å; Y135-H138 PolarHBondContact O-N 3.37Å; Y135-E139 HydrophobicContact CD1-CG 4.41Å; Y135-E139 HydrophobicContact CE1-CG 3.9Å; Y135-E139 WeakPolarHBondContact CE1-OE1 3.49Å; Y135-E139 VanDerWaalsContact CE1-OE2 3.3Å; Y135-E139 WeakPolarHBondContact CE1-OE2 3.46Å; Y135-E139 VanDerWaalsContact CZ-OE1 3.26Å; Y135-E139 PolarHBondContact O-N 3.14Å; Y135-E139 PolarHBondContact OH-OE1 2.88Å
136V87.6Confident84.3Confident40 Ų4089.6 Ų89.624%0.24247%0.465CS..Hα-helixtrans-66.5-40.5-178.8179.60000111M130 C133 H138 E139 R140M130-V136 HydrophobicContact CG-CG1 3.79Å; M130-V136 HydrophobicContact SD-CG1 4.36Å; C133-V136 HydrophobicContact CB-CB 4.22Å; C133-V136 HydrophobicContact CB-CG2 4.1Å; C133-V136 PolarHBondContact O-N 3.37Å; C133-V136 VanDerWaalsContact O-N 3.14Å; V136-H138 VanDerWaalsContact C-N 3.34Å; V136-H138 PolarHBondContact O-N 3.16Å; V136-E139 PolarHBondContact O-N 3.44Å; V136-R140 WeakPolarHBondContact O-CG 3.4Å; V136-R140 PolarHBondContact O-N 3.29Å
137A87.1Confident85.2Confident29 Ų2985.6 Ų85.624%0.2445%0.449CS..Hα-helixtrans-61-44174.700000111.4C133 Y135 R140 L141C133-A137 PolarHBondContact O-N 3.42Å; Y135-A137 PolarHBondContact O-N 2.96Å; A137-R140 PolarHBondContact O-N 3.46Å; A137-L141 WeakPolarHBondContact O-CB 3.32Å; A137-L141 PolarHBondContact O-N 3.02Å
138H89.5Confident86Confident124 Ų12483.7 Ų83.757%0.57444%0.436SS*.Hα-helixtrans-63.8-42.3177.6-175-83.1000112.3S134 Y135 V136 L141 S142S134-H138 VanDerWaalsContact O-CB 3.31Å; S134-H138 WeakPolarHBondContact O-CB 3.48Å; S134-H138 PolarHBondContact O-N 2.93Å; Y135-H138 PolarHBondContact O-N 3.37Å; V136-H138 VanDerWaalsContact C-N 3.34Å; V136-H138 PolarHBondContact O-N 3.16Å; H138-L141 PolarHBondContact O-N 3.24Å; H138-S142 PolarHBondContact CE1-OG 2.73Å; H138-S142 VanDerWaalsContact CE1-OG 3.27Å; H138-S142 PolarHBondContact ND1-OG 3.14Å; H138-S142 VanDerWaalsContact O-CB 3.25Å; H138-S142 WeakPolarHBondContact O-CB 3.47Å; H138-S142 PolarHBondContact O-N 3.42Å; H138-S142 PolarHBondContact O-OG 2.94Å
139E92.6Very high86.8Confident96 Ų9683.1 Ų83.145%0.44943%0.427SS..Hα-helixtrans-62.2-45.3176.2-74.9-165.9139.800112.1Y135 V136 S142 Y143Y135-E139 HydrophobicContact CD1-CG 4.41Å; Y135-E139 HydrophobicContact CE1-CG 3.9Å; Y135-E139 WeakPolarHBondContact CE1-OE1 3.49Å; Y135-E139 VanDerWaalsContact CE1-OE2 3.3Å; Y135-E139 WeakPolarHBondContact CE1-OE2 3.46Å; Y135-E139 VanDerWaalsContact CZ-OE1 3.26Å; Y135-E139 PolarHBondContact O-N 3.14Å; Y135-E139 PolarHBondContact OH-OE1 2.88Å; V136-E139 PolarHBondContact O-N 3.44Å; E139-S142 PolarHBondContact O-N 2.9Å; E139-Y143 WeakPolarHBondContact O-CB 3.43Å; E139-Y143 PolarHBondContact O-N 3.39Å
140R90.6Very high87.5Confident98 Ų9880.9 Ų80.937%0.3742%0.421SS..Hα-helixtrans-60.8-47.2177-74.7176.6165.2-138.9-7.9111.9D127 V136 A137 Y143 A144D127-R140 IonicContact OD2-CZ 3.38Å; D127-R140 IonicContact OD2-NH1 2.91Å; D127-R140 PolarHBondContact OD2-NH1 3Å; V136-R140 WeakPolarHBondContact O-CG 3.4Å; V136-R140 PolarHBondContact O-N 3.29Å; A137-R140 PolarHBondContact O-N 3.46Å; R140-Y143 PolarHBondContact O-N 2.95Å; R140-A144 WeakPolarHBondContact O-CB 3.4Å; R140-A144 PolarHBondContact O-N 2.76Å
141L92.2Very high87.6Confident84 Ų8483.4 Ų83.444%0.4443%0.432SS..Hα-helixtrans-64.8-41178-175.2140000111.5V120 A137 H138 Y143 A144 F145V120-L141 HydrophobicContact CG1-CD1 4.43Å; A137-L141 WeakPolarHBondContact O-CB 3.32Å; A137-L141 PolarHBondContact O-N 3.02Å; H138-L141 PolarHBondContact O-N 3.24Å; L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 PolarHBondContact O-N 3.02Å; L141-A144 PolarHBondContact O-N 3.29Å; L141-F145 WeakPolarHBondContact O-CB 3.32Å; L141-F145 PolarHBondContact O-N 3.22Å
142S93.4Very high86.8Confident43 Ų4383.6 Ų83.630%0.30144%0.439SS..Hα-helixtrans-61.9-40.3175.9-62.60000112H138 E139 S146H138-S142 PolarHBondContact CE1-OG 2.73Å; H138-S142 VanDerWaalsContact CE1-OG 3.27Å; H138-S142 PolarHBondContact ND1-OG 3.14Å; H138-S142 VanDerWaalsContact O-CB 3.25Å; H138-S142 WeakPolarHBondContact O-CB 3.47Å; H138-S142 PolarHBondContact O-N 3.42Å; H138-S142 PolarHBondContact O-OG 2.94Å; E139-S142 PolarHBondContact O-N 2.9Å; S142-S146 WeakPolarHBondContact O-CB 3.46Å; S142-S146 PolarHBondContact O-N 2.98Å; S142-S146 PolarHBondContact O-OG 3.22Å
143Y93.7Very high85.6Confident166 Ų16681.5 Ų81.565%0.65143%0.429SS*.Hα-helixtrans-66.6-53.2175.2176.4-100.5000111.6E139 R140 L141 F145 S146 V147E139-Y143 WeakPolarHBondContact O-CB 3.43Å; E139-Y143 PolarHBondContact O-N 3.39Å; R140-Y143 PolarHBondContact O-N 2.95Å; L141-Y143 VanDerWaalsContact C-N 3.32Å; L141-Y143 PolarHBondContact O-N 3.02Å; Y143-F145 PolarHBondContact O-N 3.11Å; Y143-S146 WeakPolarHBondContact O-CA 3.48Å; Y143-S146 WeakPolarHBondContact O-CB 3.44Å; Y143-S146 PolarHBondContact O-N 2.76Å; Y143-V147 HydrophobicContact CD1-CG2 4.28Å; Y143-V147 HydrophobicContact CD2-CG2 4.42Å; Y143-V147 HydrophobicContact CE1-CG2 3.82Å; Y143-V147 HydrophobicContact CE2-CG2 3.97Å; Y143-V147 WeakPolarHBondContact O-CG2 3.22Å; Y143-V147 PolarHBondContact O-N 2.62Å
144A93.1Very high84.6Confident32 Ų3282.4 Ų82.426%0.26442%0.423SS..Hα-helixtrans-56-42.5178.600000111.4F116 R140 L141 V147 W148F116-A144 HydrophobicContact CE2-CB 4.18Å; F116-A144 HydrophobicContact CZ-CB 4.3Å; R140-A144 WeakPolarHBondContact O-CB 3.4Å; R140-A144 PolarHBondContact O-N 2.76Å; L141-A144 PolarHBondContact O-N 3.29Å; A144-V147 PolarHBondContact O-N 3.3Å; A144-W148 WeakPolarHBondContact O-CB 3.32Å; A144-W148 PolarHBondContact O-N 3.28Å
145F93.1Very high83.2Confident45 Ų4582.3 Ų82.320%0.19742%0.422CS..Hα-helixtrans-66-37.6176.3178.9-108.1000112.9P94 F116 L141 Y143 W148 R149P94-F145 HydrophobicContact CB-CE2 3.55Å; P94-F145 HydrophobicContact CB-CZ 3.57Å; P94-F145 HydrophobicContact CG-CE2 3.82Å; P94-F145 HydrophobicContact CG-CZ 4.3Å; F116-F145 HydrophobicContact CE1-CB 4.43Å; F116-F145 HydrophobicContact CE1-CD2 4.06Å; F116-F145 HydrophobicContact CZ-CB 3.96Å; F116-F145 HydrophobicContact CZ-CD2 4.3Å; L141-F145 WeakPolarHBondContact O-CB 3.32Å; L141-F145 PolarHBondContact O-N 3.22Å; Y143-F145 PolarHBondContact O-N 3.11Å; F145-W148 HydrophobicContact CD2-CE3 4.1Å; F145-W148 AromaticContact CE2-CE3 3.88Å; F145-W148 HydrophobicContact CE2-CE3 3.88Å; F145-W148 AromaticContact CE2-CZ3 3.94Å; F145-W148 HydrophobicContact CE2-CZ3 3.94Å; F145-R149 HydrophobicContact CE1-CG 4.32Å; F145-R149 HydrophobicContact CE2-CG 4.18Å; F145-R149 HydrophobicContact CZ-CG 3.87Å; F145-R149 VanDerWaalsContact CZ-NE 3.34Å; F145-R149 WeakPolarHBondContact O-CB 3.36Å; F145-R149 PolarHBondContact O-N 3.45Å
146S92.6Very high81.2Confident52 Ų5282.4 Ų82.436%0.36443%0.429SS..Hα-helixtrans-66.6-42.5175.7-620000111.7S142 Y143 R149 M150S142-S146 WeakPolarHBondContact O-CB 3.46Å; S142-S146 PolarHBondContact O-N 2.98Å; S142-S146 PolarHBondContact O-OG 3.22Å; Y143-S146 WeakPolarHBondContact O-CA 3.48Å; Y143-S146 WeakPolarHBondContact O-CB 3.44Å; Y143-S146 PolarHBondContact O-N 2.76Å; S146-R149 PolarHBondContact O-N 3.12Å; S146-M150 VanDerWaalsContact O-CG 3.3Å; S146-M150 WeakPolarHBondContact O-CG 3.46Å; S146-M150 PolarHBondContact O-N 3.06Å
147V90.6Very high79.5Confident60 Ų6084.4 Ų84.436%0.36445%0.445SS..Hα-helixtrans-62.2-49.7174.4175.70000110.4Y143 A144 R149 M150 E151Y143-V147 HydrophobicContact CD1-CG2 4.28Å; Y143-V147 HydrophobicContact CD2-CG2 4.42Å; Y143-V147 HydrophobicContact CE1-CG2 3.82Å; Y143-V147 HydrophobicContact CE2-CG2 3.97Å; Y143-V147 WeakPolarHBondContact O-CG2 3.22Å; Y143-V147 PolarHBondContact O-N 2.62Å; A144-V147 PolarHBondContact O-N 3.3Å; V147-R149 VanDerWaalsContact C-N 3.25Å; V147-R149 PolarHBondContact O-N 3.16Å; V147-M150 PolarHBondContact O-N 3.21Å; V147-E151 PolarHBondContact O-N 3.11Å
148W90.9Very high77.8Confident34 Ų3488.3 Ų88.313%0.12948%0.477CS..Hα-helixtrans-57.2-38.6177.7178.680.2000112.6P94 R112 Y113 F116 A144 F145 W154P94-W148 HydrophobicContact CG-CH2 4.04Å; P94-W148 HydrophobicContact CG-CZ3 3.79Å; R112-W148 HydrophobicContact CB-CZ2 4Å; Y113-W148 HydrophobicContact CD2-CH2 4.32Å; F116-W148 HydrophobicContact CB-CD2 4.24Å; F116-W148 HydrophobicContact CB-CG 4.15Å; F116-W148 HydrophobicContact CB-CZ2 4.44Å; F116-W148 HydrophobicContact CD2-CB 3.61Å; F116-W148 AromaticContact CD2-CD1 3.49Å; F116-W148 VanDerWaalsContact CD2-CD1 3.49Å; F116-W148 HydrophobicContact CD2-CD2 4.17Å; F116-W148 AromaticContact CD2-CG 3.46Å; F116-W148 HydrophobicContact CD2-CG 3.46Å; F116-W148 VanDerWaalsContact CD2-CG 3.46Å; F116-W148 HydrophobicContact CE2-CB 3.64Å; F116-W148 AromaticContact CE2-CG 3.99Å; F116-W148 HydrophobicContact CE2-CG 3.99Å; F116-W148 HydrophobicContact CG-CB 4.37Å; F116-W148 AromaticContact CG-CD1 3.79Å; F116-W148 HydrophobicContact CG-CD2 4.05Å; F116-W148 AromaticContact CG-CG 3.81Å; F116-W148 HydrophobicContact CG-CG 3.81Å; F116-W148 AromaticContact CG-NE1 3.99Å; F116-W148 HydrophobicContact CZ-CB 4.43Å; A144-W148 WeakPolarHBondContact O-CB 3.32Å; A144-W148 PolarHBondContact O-N 3.28Å; F145-W148 HydrophobicContact CD2-CE3 4.1Å; F145-W148 AromaticContact CE2-CE3 3.88Å; F145-W148 HydrophobicContact CE2-CE3 3.88Å; F145-W148 AromaticContact CE2-CZ3 3.94Å; F145-W148 HydrophobicContact CE2-CZ3 3.94Å; W148-W154 PolarHBondContact O-NE1 3.02Å
149R88Confident75.7Confident88 Ų8887.8 Ų87.833%0.33249%0.488SS..Hα-helixtrans-67.1-44.7172.1-88.8-158.4-68.6118.60112.1F145 S146 V147 E151 W154F145-R149 HydrophobicContact CE1-CG 4.32Å; F145-R149 HydrophobicContact CE2-CG 4.18Å; F145-R149 HydrophobicContact CZ-CG 3.87Å; F145-R149 VanDerWaalsContact CZ-NE 3.34Å; F145-R149 WeakPolarHBondContact O-CB 3.36Å; F145-R149 PolarHBondContact O-N 3.45Å; S146-R149 PolarHBondContact O-N 3.12Å; V147-R149 VanDerWaalsContact C-N 3.25Å; V147-R149 PolarHBondContact O-N 3.16Å; R149-E151 VanDerWaalsContact C-N 3.32Å; R149-E151 PolarHBondContact O-N 3.34Å; R149-W154 VanDerWaalsContact CA-CZ2 3.47Å; R149-W154 HydrophobicContact CB-CH2 4.41Å; R149-W154 HydrophobicContact CB-CZ2 3.61Å; R149-W154 HydrophobicContact CG-CH2 4.08Å; R149-W154 HydrophobicContact CG-CZ2 3.57Å; R149-W154 WeakPolarHBondContact O-CZ2 3.45Å; R149-W154 PolarHBondContact O-NE1 3.23Å
150M84.2Confident73.2Confident156 Ų15695.2 Ų95.277%0.76852%0.522SS*.Hα-helixtrans-71.9-23.7-176.4-70.6-60.6-64.300114.1S146 V147 G152S146-M150 VanDerWaalsContact O-CG 3.3Å; S146-M150 WeakPolarHBondContact O-CG 3.46Å; S146-M150 PolarHBondContact O-N 3.06Å; V147-M150 PolarHBondContact O-N 3.21Å; M150-G152 PolarHBondContact O-N 3.28Å
151E71.5Confident72.4Confident151 Ų15195.1 Ų95.171%0.70653%0.529SS*.THydrogen-bonded Turntrans-64.93.7-175.5-155166.5-166.600114.5V147 R149 A153V147-E151 PolarHBondContact O-N 3.11Å; R149-E151 VanDerWaalsContact C-N 3.32Å; R149-E151 PolarHBondContact O-N 3.34Å; E151-A153 PolarHBondContact O-N 3.45Å
152G58.1Low71.3Confident32 Ų3295.6 Ų95.633%0.3353%0.534SS..  trans74-8.6151.100000116.4M150 W154 S155M150-G152 PolarHBondContact O-N 3.28Å; G152-W154 PolarHBondContact O-N 2.88Å; G152-S155 PolarHBondContact O-N 3.44Å
153A52.9Low70.1Confident64 Ų6498.6 Ų98.653%0.52955%0.547SS..THydrogen-bonded Turntrans-66.3-11.6-17900000113.6R112 E151R112-A153 PolarHBondContact NH1-O 3.48Å; E151-A153 PolarHBondContact O-N 3.45Å
154W58.4Low68.7Low85 Ų8594.6 Ų94.632%0.32254%0.541SS..THydrogen-bonded Turntrans-94.9-20.8-178.738.4-67.8000114.7L109 R112 W148 R149 G152 M156L109-W154 HydrophobicContact CD2-CB 3.72Å; L109-W154 HydrophobicContact CD2-CD2 4.39Å; L109-W154 HydrophobicContact CD2-CE3 4.33Å; L109-W154 HydrophobicContact CD2-CG 4.2Å; R112-W154 VanDerWaalsContact CZ-CB 3.5Å; R112-W154 VanDerWaalsContact NH1-CB 3.32Å; R112-W154 VanDerWaalsContact NH1-N 3.15Å; W148-W154 PolarHBondContact O-NE1 3.02Å; R149-W154 VanDerWaalsContact CA-CZ2 3.47Å; R149-W154 HydrophobicContact CB-CH2 4.41Å; R149-W154 HydrophobicContact CB-CZ2 3.61Å; R149-W154 HydrophobicContact CG-CH2 4.08Å; R149-W154 HydrophobicContact CG-CZ2 3.57Å; R149-W154 WeakPolarHBondContact O-CZ2 3.45Å; R149-W154 PolarHBondContact O-NE1 3.23Å; G152-W154 PolarHBondContact O-N 2.88Å; W154-M156 VanDerWaalsContact C-N 3.32Å
155S56.8Low67.2Low100 Ų10098.5 Ų98.570%0.69956%0.558SS**THydrogen-bonded Turntrans-75.2-25172.7-1730000112G152 S157G152-S155 PolarHBondContact O-N 3.44Å; S155-S157 PolarHBondContact O-N 3.04Å
156M47.9Very low65.5Low151 Ų151102.1 Ų102.174%0.74458%0.582SS**  trans-81.489.7-175.8-60.2-99.5102.100111.4W154W154-M156 VanDerWaalsContact C-N 3.32Å
157S53.3Low63.5Low82 Ų82105.6 Ų105.657%0.57360%0.598SS**  trans163.567.613269.40000111S155 S159S155-S157 PolarHBondContact O-N 3.04Å; S157-S159 PolarHBondContact O-N 3.27Å
158A50.5Low61.5Low111 Ų111109.2 Ų109.292%0.91762%0.616SS**  trans-83.568.2145.600000107.2
159S45.9Very low59Low114 Ų114115.4 Ų115.480%0.79766%0.657SS**  trans-115.894.6160.9-160.20000104.6S157S157-S159 PolarHBondContact O-N 3.27Å
160H40.8Very low56.4Low251 Ų251117.9 Ų117.9100%1.16269%0.686SS**  trans-100.20167.9-149.3-57000108.3

Retrieved 160 of 160 residues in 36.9 ms (Link to these results)