A0A077YXK2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YXK2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 497 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
1M44.1Very low44.1Very low238 Ų238137 Ų137100%1.17286%0.856SS**  01210-79.3-171.5149.200107.7
2N45.3Very low44.1Very low163 Ų163139.9 Ų139.987%0.87285%0.851SS**  trans45.8107166.2-54-2.4000116.5
3G39.3Very low44.1Very low75 Ų75140.6 Ų140.677%0.77385%0.847SS**  cis94.183.229.800000110.3
4S50.3Low44.3Very low133 Ų133143.3 Ų143.393%0.9385%0.846SS**  trans-150.3106.1153.6-87.60000109
5S45Very low44.5Very low106 Ų106143.1 Ų143.174%0.74184%0.84SS**  trans-101.4163.1-177.653.80000110.3
6V48.4Very low44.6Very low147 Ų147145.3 Ų145.389%0.89184%0.839SS**  trans86115.6150.1-172.70000116.5
7G40.9Very low44.6Very low73 Ų73142.8 Ų142.875%0.75383%0.833SS**  trans173.534.516600000113.5A9G7-A9 PolarHBondContact O-N 3.19Å
8Q41.6Very low44.7Very low192 Ų192142.2 Ų142.290%0.89782%0.824SS**  trans-72.6110.3160.1-87.7-176.8-62.500107
9A44.2Very low44.9Very low103 Ų103140.7 Ų140.785%0.85182%0.817SS**  trans-93.3105.216300000107.5G7G7-A9 PolarHBondContact O-N 3.19Å
10E43.7Very low45Very low174 Ų174142.1 Ų142.181%0.81382%0.815SS**  trans-60.1145169.7-71.2168.9131.800111.7
11S41.9Very low45.4Very low103 Ų103145 Ų14572%0.7281%0.813SS**  trans25.8119.5142.765.30000118.8
12Q44.1Very low45.4Very low172 Ų172138.4 Ų138.480%0.80479%0.79SS**  -159.2100.8122.7-109.3171.55.200109.1Q14Q12-Q14 PolarHBondContact O-N 3.28Å
13N45.2Very low45.7Very low149 Ų149140 Ų14080%0.79779%0.785SS**  trans-54.2106.3152.4-74.3-24.9000106.3D15N13-D15 PolarHBondContact O-N 3.11Å; N13-D15 VanDerWaalsContact O-N 3.12Å
14Q46.2Very low46.3Very low178 Ų178139.1 Ų139.183%0.83278%0.777SS**  trans-80.389160.4-73.1-163.9-1.300106Q12 E16Q12-Q14 PolarHBondContact O-N 3.28Å; Q14-E16 PolarHBondContact O-N 3.45Å
15D47.1Very low46.3Very low141 Ų141140 Ų14075%0.75477%0.771SS**  trans-44.5136.5162.1-76.6-37.6000109.6N13 S17N13-D15 PolarHBondContact O-N 3.11Å; N13-D15 VanDerWaalsContact O-N 3.12Å; D15-S17 VanDerWaalsContact C-N 3.26Å; D15-S17 PolarHBondContact O-N 3.24Å
16E45.9Very low46.7Very low177 Ų177138.8 Ų138.883%0.82775%0.754SS**  trans-47.790.3165.3-61176.8148.800109.2Q14 I18Q14-E16 PolarHBondContact O-N 3.45Å; E16-I18 PolarHBondContact O-N 2.88Å
17S45.4Very low47.1Very low104 Ų104137.9 Ų137.973%0.72775%0.748SS**  trans-7282.2159.569.10000107D15 V19D15-S17 VanDerWaalsContact C-N 3.26Å; D15-S17 PolarHBondContact O-N 3.24Å; S17-V19 PolarHBondContact O-N 3.11Å
18I46.6Very low47.8Very low132 Ų132140.2 Ų140.268%0.67775%0.752SS**  trans-56.693.3150.9-63.5171.1000104E16 E20E16-I18 PolarHBondContact O-N 2.88Å; I18-E20 HydrophobicContact CG2-CG 4.28Å; I18-E20 PolarHBondContact O-N 2.84Å
19V48.4Very low48.8Very low113 Ų113131.8 Ų131.869%0.68572%0.715SS**  trans-62.793.1160.1176.30000104S17 R21S17-V19 PolarHBondContact O-N 3.11Å; V19-R21 HydrophobicContact CG1-CG 4.4Å; V19-R21 PolarHBondContact O-N 3.38Å
20E46.9Very low50.4Low169 Ų169131.1 Ų131.179%0.7970%0.7SS**  trans-54.189.8157.4-77.5-169.1151.500106I18 S22I18-E20 HydrophobicContact CG2-CG 4.28Å; I18-E20 PolarHBondContact O-N 2.84Å; E20-S22 VanDerWaalsContact C-N 3.33Å; E20-S22 PolarHBondContact O-N 3.3Å
21R52.5Low52.2Low203 Ų203131.8 Ų131.877%0.76670%0.7SS**  trans-60.6107.2162.6-92.7-174-177.5-177.43104.7V19 Y23V19-R21 HydrophobicContact CG1-CG 4.4Å; V19-R21 PolarHBondContact O-N 3.38Å; R21-Y23 PolarHBondContact O-N 3.14Å; R21-Y23 VanDerWaalsContact O-N 3.12Å
22S44.3Very low54.1Low100 Ų100129.9 Ų129.970%0.69969%0.691SS**  trans-43.7122175.865.90000109.2E20 G24E20-S22 VanDerWaalsContact C-N 3.33Å; E20-S22 PolarHBondContact O-N 3.3Å; S22-G24 PolarHBondContact O-N 2.75Å
23Y52.3Low56Low195 Ų195126.9 Ų126.977%0.76568%0.677SS**THydrogen-bonded Turntrans-6521.8179.9-80.5-91.7000114R21R21-Y23 PolarHBondContact O-N 3.14Å; R21-Y23 VanDerWaalsContact O-N 3.12Å
24G51.3Low57.6Low58 Ų58126.5 Ų126.560%0.59866%0.664SS**THydrogen-bonded Turntrans-89.1-17.3-17300000116.1S22S22-G24 PolarHBondContact O-N 2.75Å
25D50.1Low59.6Low151 Ų151121.8 Ų121.881%0.80765%0.651SS**SBendtrans-105.7-2.2-173.8-101.3-9.9000114.7V27D25-V27 PolarHBondContact O-N 2.98Å
26E54.6Low61.5Low81 Ų81118.8 Ų118.838%0.37964%0.635SS.*G310 helixtrans-74.9-8-174.5-64.2-162.9155.500114.3Q37 R41E26-Q37 PolarHBondContact OE1-NE2 2.9Å; E26-R41 IonicContact OE1-NH2 2.66Å
27V57Low63.6Low127 Ų127112.8 Ų112.877%0.7761%0.607SS**G310 helixtrans-78.6-23.4-173.4-173.30000113D25D25-V27 PolarHBondContact O-N 2.98Å
28C54.9Low65.6Low123 Ų123110.5 Ų110.583%0.83160%0.595SS**G310 helixtrans-111.313.1179-82.30000114.9T30C28-T30 PolarHBondContact O-N 3.04Å
29A63Low67.7Low15 Ų15112 Ų11212%0.12459%0.592CS.*  trans-70.5127.8177.700000111.5E33 R34A29-E33 WeakPolarHBondContact CA-OE2 3.47Å; A29-E33 HydrophobicContact CB-CB 4.26Å; A29-E33 HydrophobicContact CB-CG 4.22Å; A29-R34 HydrophobicContact CB-CG 3.98Å
30T76.3Confident69.8Low88 Ų88111.6 Ų111.654%0.5459%0.585SS.*  trans-62.1155.8174.963.10000110.7C28 A32 E33 R34C28-T30 PolarHBondContact O-N 3.04Å; T30-A32 PolarHBondContact O-N 2.92Å; T30-A32 VanDerWaalsContact O-N 3.11Å; T30-E33 WeakPolarHBondContact O-CB 3.3Å; T30-E33 PolarHBondContact O-N 3.32Å; T30-E33 WeakPolarHBondContact OG1-CB 3.4Å; T30-E33 PolarHBondContact OG1-N 3.05Å; T30-R34 PolarHBondContact O-N 3.09Å
31K83.2Confident71.8Confident188 Ų188109.9 Ų109.982%0.81757%0.571SS**Hα-helixtrans-53.9-34176.5-172.8178.4178.9-178.60112.2S35K31-S35 WeakPolarHBondContact O-CB 3.29Å; K31-S35 PolarHBondContact O-N 3.32Å; K31-S35 VanDerWaalsContact O-N 3.1Å
32A80.7Confident73.6Confident63 Ų63103.3 Ų103.352%0.52156%0.557SS.*Hα-helixtrans-66.9-40175.500000112.4T30 S35 N36T30-A32 PolarHBondContact O-N 2.92Å; T30-A32 VanDerWaalsContact O-N 3.11Å; A32-S35 PolarHBondContact O-N 3.44Å; A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 2.97Å
33E83.4Confident75.7Confident109 Ų109103.6 Ų103.651%0.50955%0.548SS..Hα-helixtrans-68.4-44.6178.9-170.3165.2-156.400112.1A29 T30 S35 N36 Q37A29-E33 WeakPolarHBondContact CA-OE2 3.47Å; A29-E33 HydrophobicContact CB-CB 4.26Å; A29-E33 HydrophobicContact CB-CG 4.22Å; T30-E33 WeakPolarHBondContact O-CB 3.3Å; T30-E33 PolarHBondContact O-N 3.32Å; T30-E33 WeakPolarHBondContact OG1-CB 3.4Å; T30-E33 PolarHBondContact OG1-N 3.05Å; E33-S35 VanDerWaalsContact C-N 3.29Å; E33-S35 PolarHBondContact O-N 3.03Å; E33-N36 PolarHBondContact O-N 3.11Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 PolarHBondContact O-N 2.78Å
34R80.5Confident77.6Confident142 Ų14299.9 Ų99.954%0.53654%0.538SS..Hα-helixtrans-59.4-40.5172.1-63.9-174.1-166.7158.63.9112A29 T30 Q37 A38A29-R34 HydrophobicContact CB-CG 3.98Å; T30-R34 PolarHBondContact O-N 3.09Å; R34-Q37 PolarHBondContact O-N 3.01Å; R34-A38 WeakPolarHBondContact O-CB 3.5Å; R34-A38 PolarHBondContact O-N 3.35Å
35S87.4Confident79.5Confident78 Ų78100 Ų10055%0.54553%0.533SS..Hα-helixtrans-65.6-40.8176.2-173.10000112.3K31 A32 E33 R39K31-S35 WeakPolarHBondContact O-CB 3.29Å; K31-S35 PolarHBondContact O-N 3.32Å; K31-S35 VanDerWaalsContact O-N 3.1Å; A32-S35 PolarHBondContact O-N 3.44Å; E33-S35 VanDerWaalsContact C-N 3.29Å; E33-S35 PolarHBondContact O-N 3.03Å; S35-R39 WeakPolarHBondContact O-CB 3.4Å; S35-R39 PolarHBondContact O-N 2.84Å
36N87Confident81.4Confident79 Ų79100.7 Ų100.742%0.42252%0.524SS..Hα-helixtrans-67.9-40.5176.7-79.8-22.4000111.6A32 E33 R39 L40A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 2.97Å; E33-N36 PolarHBondContact O-N 3.11Å; N36-R39 PolarHBondContact O-N 3.17Å; N36-L40 WeakPolarHBondContact O-CG 3.48Å; N36-L40 PolarHBondContact O-N 3.43Å
37Q90.1Very high83.2Confident50 Ų50100.7 Ų100.723%0.23453%0.527CS..Hα-helixtrans-63.4-42.5175.4-167.9-175.610.300111.6E26 E33 R34 R39 L40 R41E26-Q37 PolarHBondContact OE1-NE2 2.9Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 PolarHBondContact O-N 2.78Å; R34-Q37 PolarHBondContact O-N 3.01Å; Q37-R39 VanDerWaalsContact C-N 3.34Å; Q37-R39 PolarHBondContact O-N 3.39Å; Q37-L40 PolarHBondContact O-N 2.88Å; Q37-R41 VanDerWaalsContact NE2-NH2 3.13Å; Q37-R41 WeakPolarHBondContact O-CG 3.33Å; Q37-R41 PolarHBondContact O-N 2.85Å
38A87.7Confident84.8Confident57 Ų5798.5 Ų98.547%0.47151%0.51SS..Hα-helixtrans-62.8-40.517400000112.1R34 R41 S42R34-A38 WeakPolarHBondContact O-CB 3.5Å; R34-A38 PolarHBondContact O-N 3.35Å; A38-R41 PolarHBondContact O-N 2.85Å; A38-S42 WeakPolarHBondContact O-CB 3.47Å; A38-S42 PolarHBondContact O-N 3Å
39R89.9Confident86.4Confident164 Ų16495.4 Ų95.462%0.61949%0.493SS*.Hα-helixtrans-63.7-42.6175.3-169.9179.471.3172.82.7112S35 N36 Q37 S42 M43S35-R39 WeakPolarHBondContact O-CB 3.4Å; S35-R39 PolarHBondContact O-N 2.84Å; N36-R39 PolarHBondContact O-N 3.17Å; Q37-R39 VanDerWaalsContact C-N 3.34Å; Q37-R39 PolarHBondContact O-N 3.39Å; R39-S42 PolarHBondContact O-N 3.48Å; R39-M43 WeakPolarHBondContact O-CG 3.44Å; R39-M43 PolarHBondContact O-N 3.04Å
40L92.3Very high87.7Confident103 Ų103102 Ų10254%0.53952%0.515SS..Hα-helixtrans-62.6-49176.4-74.6168.6000111.3N36 Q37 S42 M43 E44N36-L40 WeakPolarHBondContact O-CG 3.48Å; N36-L40 PolarHBondContact O-N 3.43Å; Q37-L40 PolarHBondContact O-N 2.88Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.12Å; L40-M43 WeakPolarHBondContact O-CB 3.28Å; L40-M43 PolarHBondContact O-N 3.42Å; L40-M43 VanDerWaalsContact O-N 3.08Å; L40-E44 WeakPolarHBondContact O-CG 3.47Å; L40-E44 PolarHBondContact O-N 2.91Å
41R89.9Confident88.4Confident134 Ų134104.4 Ų104.451%0.50651%0.514SS..Hα-helixtrans-58-39.5175.1-73.6-177.3175.7138.7-2.7112.3E26 Q37 A38 E44 A45E26-R41 IonicContact OE1-NH2 2.66Å; Q37-R41 VanDerWaalsContact NE2-NH2 3.13Å; Q37-R41 WeakPolarHBondContact O-CG 3.33Å; Q37-R41 PolarHBondContact O-N 2.85Å; A38-R41 PolarHBondContact O-N 2.85Å; R41-E44 PolarHBondContact O-N 3.33Å; R41-A45 WeakPolarHBondContact O-CB 3.39Å; R41-A45 PolarHBondContact O-N 3.41Å
42S89.2Confident88.6Confident65 Ų65103.5 Ų103.546%0.45551%0.505SS..Hα-helixtrans-66.6-37.5176.1179.30000112.9A38 R39 L40 R46A38-S42 WeakPolarHBondContact O-CB 3.47Å; A38-S42 PolarHBondContact O-N 3Å; R39-S42 PolarHBondContact O-N 3.48Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.12Å; S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 PolarHBondContact O-N 3.36Å; S42-R46 VanDerWaalsContact O-N 3.1Å
43M89.9Confident89Confident106 Ų106107.3 Ų107.352%0.52251%0.51SS..Hα-helixtrans-69.2-41.7175.5-77.8-66.7-6300111.7R39 L40 R46 N47R39-M43 WeakPolarHBondContact O-CG 3.44Å; R39-M43 PolarHBondContact O-N 3.04Å; L40-M43 WeakPolarHBondContact O-CB 3.28Å; L40-M43 PolarHBondContact O-N 3.42Å; L40-M43 VanDerWaalsContact O-N 3.08Å; M43-R46 PolarHBondContact O-N 2.97Å; M43-N47 WeakPolarHBondContact O-CB 3.49Å; M43-N47 PolarHBondContact O-N 3.07Å
44E92Very high89.2Confident117 Ų117106.5 Ų106.555%0.54751%0.506SS..Hα-helixtrans-61-47.8174.8-73.3169.5-179.500111.4L40 R41 R46 N47 I48L40-E44 WeakPolarHBondContact O-CG 3.47Å; L40-E44 PolarHBondContact O-N 2.91Å; R41-E44 PolarHBondContact O-N 3.33Å; E44-R46 VanDerWaalsContact C-N 3.32Å; E44-R46 PolarHBondContact O-N 2.94Å; E44-N47 PolarHBondContact O-N 2.76Å; E44-N47 VanDerWaalsContact O-N 3.16Å; E44-I48 WeakPolarHBondContact O-CG1 3.46Å; E44-I48 PolarHBondContact O-N 2.76Å
45A89.5Confident89.6Confident60 Ų60105 Ų10550%0.49651%0.506SS..Hα-helixtrans-60-41176.600000112.3R41 I48 A49R41-A45 WeakPolarHBondContact O-CB 3.39Å; R41-A45 PolarHBondContact O-N 3.41Å; A45-I48 PolarHBondContact O-N 3.48Å; A45-A49 WeakPolarHBondContact O-CB 3.35Å; A45-A49 PolarHBondContact O-N 3.01Å
46R91.3Very high89.5Confident165 Ų165106.9 Ų106.962%0.62351%0.508SS*.Hα-helixtrans-64.7-41.9175.3-173.7-178.4-65.7166.4-1.5111.8S42 M43 E44 A49 W50S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 PolarHBondContact O-N 3.36Å; S42-R46 VanDerWaalsContact O-N 3.1Å; M43-R46 PolarHBondContact O-N 2.97Å; E44-R46 VanDerWaalsContact C-N 3.32Å; E44-R46 PolarHBondContact O-N 2.94Å; R46-A49 PolarHBondContact O-N 3.38Å; R46-W50 WeakPolarHBondContact O-CB 3.38Å; R46-W50 PolarHBondContact O-N 3.44Å
47N91.4Very high89.3Confident81 Ų81107.2 Ų107.243%0.43351%0.513SS..Hα-helixtrans-64.8-41.9178.5-168.3-25.8000111.2M43 E44 W50 R51M43-N47 WeakPolarHBondContact O-CB 3.49Å; M43-N47 PolarHBondContact O-N 3.07Å; E44-N47 PolarHBondContact O-N 2.76Å; E44-N47 VanDerWaalsContact O-N 3.16Å; N47-W50 PolarHBondContact O-N 2.88Å; N47-R51 PolarHBondContact O-N 2.93Å; N47-R51 PolarHBondContact OD1-NE 2.84Å; N47-R51 VanDerWaalsContact OD1-NE 3.12Å
48I90.3Very high89Confident82 Ų82109.1 Ų109.142%0.42152%0.522SS..Hα-helixtrans-62-46.2173.9-66.4164.8000111.1E44 A45 W50 R51 R52E44-I48 WeakPolarHBondContact O-CG1 3.46Å; E44-I48 PolarHBondContact O-N 2.76Å; A45-I48 PolarHBondContact O-N 3.48Å; I48-W50 VanDerWaalsContact C-N 3.3Å; I48-W50 PolarHBondContact O-N 3.14Å; I48-R51 PolarHBondContact O-N 3.31Å; I48-R52 WeakPolarHBondContact O-CG 3.44Å; I48-R52 PolarHBondContact O-N 2.83Å
49A89.7Confident88.7Confident57 Ų57111.4 Ų111.447%0.47152%0.523SS..Hα-helixtrans-61.9-38.8177.300000112.3A45 R46 R52 K53A45-A49 WeakPolarHBondContact O-CB 3.35Å; A45-A49 PolarHBondContact O-N 3.01Å; R46-A49 PolarHBondContact O-N 3.38Å; A49-R52 PolarHBondContact O-N 2.99Å; A49-K53 PolarHBondContact O-N 3.31Å
50W89.9Confident88.1Confident153 Ų153106.2 Ų106.258%0.5852%0.515SS*.Hα-helixtrans-66.1-43176.8-167.481.8000111.9R46 N47 I48 K53 H54R46-W50 WeakPolarHBondContact O-CB 3.38Å; R46-W50 PolarHBondContact O-N 3.44Å; N47-W50 PolarHBondContact O-N 2.88Å; I48-W50 VanDerWaalsContact C-N 3.3Å; I48-W50 PolarHBondContact O-N 3.14Å; W50-K53 PolarHBondContact O-N 2.77Å; W50-H54 WeakPolarHBondContact O-CB 3.48Å; W50-H54 PolarHBondContact O-N 2.92Å
51R91.1Very high87.3Confident139 Ų139104.3 Ų104.353%0.52551%0.514SS..Hα-helixtrans-59.8-47.5173.5-77.8-171.3-107173.8-3.1112.3N47 I48 K53 H54 E55N47-R51 PolarHBondContact O-N 2.93Å; N47-R51 PolarHBondContact OD1-NE 2.84Å; N47-R51 VanDerWaalsContact OD1-NE 3.12Å; I48-R51 PolarHBondContact O-N 3.31Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.45Å; R51-H54 WeakPolarHBondContact O-CB 3.49Å; R51-H54 PolarHBondContact O-N 2.87Å; R51-H54 VanDerWaalsContact O-N 3.14Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.47Å
52R88.4Confident86.9Confident169 Ų169105.9 Ų105.964%0.63853%0.525SS*.Hα-helixtrans-59.1-41.9175.9-72.5-179179.8171.10.2112.6I48 A49 E55 L56I48-R52 WeakPolarHBondContact O-CG 3.44Å; I48-R52 PolarHBondContact O-N 2.83Å; A49-R52 PolarHBondContact O-N 2.99Å; R52-E55 PolarHBondContact O-N 2.98Å; R52-L56 WeakPolarHBondContact O-CG 3.44Å; R52-L56 PolarHBondContact O-N 2.91Å
53K89.2Confident86.2Confident143 Ų143110.8 Ų110.862%0.62254%0.538SS*.Hα-helixtrans-63.8-42.9176-174.2179.6178.6-178.70111.3A49 W50 R51 L56 V57A49-K53 PolarHBondContact O-N 3.31Å; W50-K53 PolarHBondContact O-N 2.77Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.45Å; K53-L56 PolarHBondContact O-N 2.94Å; K53-V57 WeakPolarHBondContact O-CG2 3.41Å; K53-V57 PolarHBondContact O-N 3.3Å
54H87.6Confident84.9Confident92 Ų92110 Ų11043%0.42654%0.539SS..Hα-helixtrans-64.8-41178.4-172.2-104.7000111.9W50 R51 V57 Q58W50-H54 WeakPolarHBondContact O-CB 3.48Å; W50-H54 PolarHBondContact O-N 2.92Å; R51-H54 WeakPolarHBondContact O-CB 3.49Å; R51-H54 PolarHBondContact O-N 2.87Å; R51-H54 VanDerWaalsContact O-N 3.14Å; H54-V57 PolarHBondContact O-N 3.33Å; H54-Q58 PolarHBondContact CE1-NE2 3.14Å; H54-Q58 PolarHBondContact ND1-NE2 2.94Å; H54-Q58 WeakPolarHBondContact O-CG 3.4Å; H54-Q58 PolarHBondContact O-N 3.36Å
55E87.4Confident83.3Confident112 Ų112109 Ų10952%0.52354%0.542SS..Hα-helixtrans-59.3-47.7172.4-75.7167.7-175.800111.6R51 R52 V57 Q58 E59R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.47Å; R52-E55 PolarHBondContact O-N 2.98Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.38Å; E55-Q58 PolarHBondContact O-N 2.92Å; E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.16Å
56L85.2Confident81.9Confident116 Ų116117.6 Ų117.661%0.60756%0.562SS**Hα-helixtrans-59.6-41.8175.8-74.9170.2000112.7R52 K53 E59 A60R52-L56 WeakPolarHBondContact O-CG 3.44Å; R52-L56 PolarHBondContact O-N 2.91Å; K53-L56 PolarHBondContact O-N 2.94Å; L56-E59 PolarHBondContact O-N 2.81Å; L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.47Å
57V84Confident80.2Confident86 Ų86119.4 Ų119.452%0.52157%0.574SS.*Hα-helixtrans-65.7-40.4176.51710000110.9K53 H54 E55 A60 A61K53-V57 WeakPolarHBondContact O-CG2 3.41Å; K53-V57 PolarHBondContact O-N 3.3Å; H54-V57 PolarHBondContact O-N 3.33Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.38Å; V57-A60 PolarHBondContact O-N 2.98Å; V57-A61 VanDerWaalsContact O-CB 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.46Å; V57-A61 PolarHBondContact O-N 3.41Å
58Q83.7Confident78.1Confident91 Ų91120 Ų12043%0.42559%0.585SS.*Hα-helixtrans-66.6-40.2175.4-74.4-168.83.600112.5H54 E55 A61 K62H54-Q58 PolarHBondContact CE1-NE2 3.14Å; H54-Q58 PolarHBondContact ND1-NE2 2.94Å; H54-Q58 WeakPolarHBondContact O-CG 3.4Å; H54-Q58 PolarHBondContact O-N 3.36Å; E55-Q58 PolarHBondContact O-N 2.92Å; Q58-A61 PolarHBondContact O-N 2.96Å; Q58-K62 VanDerWaalsContact O-CG 3.29Å; Q58-K62 WeakPolarHBondContact O-CG 3.38Å; Q58-K62 PolarHBondContact O-N 3.34Å
59E80.7Confident76.1Confident105 Ų105125.9 Ų125.949%0.49161%0.607SS.*Hα-helixtrans-64.4-42.5174.2-74.2-165.816700111.8E55 L56 K62 K63E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.16Å; L56-E59 PolarHBondContact O-N 2.81Å; E59-K62 PolarHBondContact O-N 3.1Å; E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.35Å; E59-K63 VanDerWaalsContact O-N 3.09Å
60A77.7Confident73.9Confident54 Ų54130.6 Ų130.645%0.44662%0.62SS.*Hα-helixtrans-61.6-46.217400000111L56 V57 K62 K63 V64L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.47Å; V57-A60 PolarHBondContact O-N 2.98Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 3.4Å; A60-K63 WeakPolarHBondContact O-CA 3.47Å; A60-K63 PolarHBondContact O-N 3.12Å; A60-V64 WeakPolarHBondContact O-CG2 3.46Å; A60-V64 PolarHBondContact O-N 3.45Å
61A76.2Confident71.8Confident63 Ų63130.8 Ų130.852%0.52163%0.631SS.*Hα-helixtrans-63.6-30.6178.100000113.2V57 Q58V57-A61 VanDerWaalsContact O-CB 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.46Å; V57-A61 PolarHBondContact O-N 3.41Å; Q58-A61 PolarHBondContact O-N 2.96Å
62K80Confident69.5Low167 Ų167128.3 Ų128.373%0.72663%0.631SS**Hα-helixtrans-71.5-32.1171.8-73.5170.7-175.2173.60112.4Q58 E59 A60Q58-K62 VanDerWaalsContact O-CG 3.29Å; Q58-K62 WeakPolarHBondContact O-CG 3.38Å; Q58-K62 PolarHBondContact O-N 3.34Å; E59-K62 PolarHBondContact O-N 3.1Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 3.4Å
63K75.9Confident67.5Low168 Ų168126.1 Ų126.173%0.7363%0.631SS**Hα-helixtrans-78.8-19.1177.5-71.3175.8-177.8175.80113.2E59 A60 P65E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.35Å; E59-K63 VanDerWaalsContact O-N 3.09Å; A60-K63 WeakPolarHBondContact O-CA 3.47Å; A60-K63 PolarHBondContact O-N 3.12Å; K63-P65 VanDerWaalsContact O-CD 3.3Å; K63-P65 WeakPolarHBondContact O-CD 3.47Å
64V62.7Low65.4Low91 Ų91124.3 Ų124.355%0.55263%0.628SS**SBendtrans-68.5116.6172.9179.30000109.2A60 R66A60-V64 WeakPolarHBondContact O-CG2 3.46Å; A60-V64 PolarHBondContact O-N 3.45Å; V64-R66 PolarHBondContact O-N 3.32Å; V64-R66 VanDerWaalsContact O-N 3.11Å
65P56.4Low63.3Low95 Ų95128.1 Ų128.162%0.61765%0.646SS**  trans-62.3118.9178.524.3-31.5000109.4K63 K67K63-P65 VanDerWaalsContact O-CD 3.3Å; K63-P65 WeakPolarHBondContact O-CD 3.47Å; P65-K67 PolarHBondContact O-N 3.26Å
66R60.9Low61.4Low240 Ų240132.1 Ų132.191%0.90666%0.657SS**THydrogen-bonded Turntrans-63.817.2177.5-71.1-178.3168.6169.4-4.3114.7V64V64-R66 PolarHBondContact O-N 3.32Å; V64-R66 VanDerWaalsContact O-N 3.11Å
67K55.6Low59.3Low203 Ų203136 Ų13688%0.88367%0.669SS**THydrogen-bonded Turntrans-106.58.9-169.3-72.6-168176.2-177.40115.8P65P65-K67 PolarHBondContact O-N 3.26Å
68S48Very low57.7Low94 Ų94136 Ų13666%0.65767%0.672SS**  trans-113.767.6169.658.80000110.9E70S68-E70 PolarHBondContact O-N 2.94Å
69K47Very low55.9Low205 Ų205139.4 Ų139.489%0.89169%0.693SS**  trans-90.859.9157.8-79.6-172.8175.6-175.90108.8
70E43.9Very low54.5Low156 Ų156142.8 Ų142.873%0.72971%0.709SS**  trans-168.799.7160.2-143.6174.917000106S68 V72S68-E70 PolarHBondContact O-N 2.94Å; E70-V72 HydrophobicContact CB-CG2 3.86Å; E70-V72 HydrophobicContact CG-CG2 3.45Å; E70-V72 VanDerWaalsContact CG-CG2 3.45Å; E70-V72 PolarHBondContact O-N 2.74Å
71I45.7Very low53.2Low158 Ų158147 Ų14781%0.8172%0.724SS**  trans-76.383.7157.9-58.6175.3000103.7L73I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 HydrophobicContact CG2-CD2 4.37Å; I71-L73 HydrophobicContact CG2-CG 4.23Å; I71-L73 PolarHBondContact O-N 2.81Å
72V42.9Very low51.9Low87 Ų87150.8 Ų150.853%0.52774%0.736SS.*  trans-68.999166.9-1790000105.6E70 D74E70-V72 HydrophobicContact CB-CG2 3.86Å; E70-V72 HydrophobicContact CG-CG2 3.45Å; E70-V72 VanDerWaalsContact CG-CG2 3.45Å; E70-V72 PolarHBondContact O-N 2.74Å; V72-D74 HydrophobicContact CG1-CB 4.14Å; V72-D74 PolarHBondContact O-N 3.12Å
73L47.5Very low50.1Low122 Ų122152.5 Ų152.564%0.63974%0.739SS**  trans-7183.8161.8-70.7168.7000106.4I71 E75I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 HydrophobicContact CG2-CD2 4.37Å; I71-L73 HydrophobicContact CG2-CG 4.23Å; I71-L73 PolarHBondContact O-N 2.81Å; L73-E75 VanDerWaalsContact C-N 3.26Å; L73-E75 PolarHBondContact O-N 2.95Å
74D44.4Very low48.6Very low106 Ų106154.8 Ų154.857%0.56774%0.743SS**  trans-72.386.8174-155.410.5000107.6V72 R76V72-D74 HydrophobicContact CG1-CB 4.14Å; V72-D74 PolarHBondContact O-N 3.12Å; D74-R76 PolarHBondContact O-N 2.72Å; D74-R76 IonicContact OD1-NE 3.53Å; D74-R76 IonicContact OD2-CZ 3.94Å; D74-R76 IonicContact OD2-NE 3.14Å; D74-R76 PolarHBondContact OD2-NE 3.08Å; D74-R76 VanDerWaalsContact OD2-NE 3.14Å
75E43.8Very low47.7Very low172 Ų172158.4 Ų158.480%0.80476%0.76SS**  trans-69.374.6168.7-68.8-167.5166.500109.7L73 K77L73-E75 VanDerWaalsContact C-N 3.26Å; L73-E75 PolarHBondContact O-N 2.95Å; E75-K77 PolarHBondContact O-N 3.32Å
76R46.2Very low46.9Very low196 Ų196157.4 Ų157.474%0.7477%0.766SS**  trans-90.196.6169-74.6-172.2-174.6-150.1-2.2110.9D74D74-R76 PolarHBondContact O-N 2.72Å; D74-R76 IonicContact OD1-NE 3.53Å; D74-R76 IonicContact OD2-CZ 3.94Å; D74-R76 IonicContact OD2-NE 3.14Å; D74-R76 PolarHBondContact OD2-NE 3.08Å; D74-R76 VanDerWaalsContact OD2-NE 3.14Å
77K42.6Very low46Very low198 Ų198149.8 Ų149.886%0.86176%0.762SS**  trans-63.7117.9148.8-70.6175176.5169.80109E75E75-K77 PolarHBondContact O-N 3.32Å
78S49.3Very low45.6Very low86 Ų86148.1 Ų148.160%0.60176%0.762SS**  trans173.8106.9151.122.20000105.2
79D47.4Very low45.5Very low162 Ų162146.7 Ų146.787%0.86676%0.756SS**  81.7130.695.2-73.3-19.9000110.6
80E50Low46.2Very low176 Ų176144.5 Ų144.582%0.82275%0.753SS**  trans-46.3141-175.2-56.7-170.3143.800113.2
81D50.5Low46.8Very low141 Ų141146.1 Ų146.175%0.75476%0.758SS**  trans144.3138.1132.2-70.9-31.2000112.8
82D48.2Very low46.9Very low144 Ų144145.3 Ų145.377%0.7776%0.755SS**  trans7692.2158.2-71-24000121.2
83Y43.9Very low47.3Very low202 Ų202148.1 Ų148.179%0.79277%0.768SS**  31127.4120-76-82.5000120.5
84R43.7Very low47.3Very low216 Ų216150.2 Ų150.282%0.81578%0.779SS**  trans70.495.2145-65.7176.1175-161.2-1.2116.9
85N44Very low47.7Very low168 Ų168150 Ų15090%0.89879%0.787SS**  166.6128.2112.9-89.2-22.4000111.9
86G39.6Very low48.1Very low73 Ų73151.3 Ų151.375%0.75379%0.792SS**  trans91.529.8132.800000119.8L88G86-L88 PolarHBondContact O-N 2.86Å
87G40.9Very low48Very low80 Ų80151 Ų15183%0.82580%0.8SS**  trans-77.596.2167.800000111.6A89G87-A89 PolarHBondContact O-N 3.1Å; G87-A89 VanDerWaalsContact O-N 3.11Å
88L47.6Very low48.2Very low169 Ų169145.6 Ų145.689%0.88579%0.792SS**  trans-47.2108.2175-76.8149.5000112.3G86 L90G86-L88 PolarHBondContact O-N 2.86Å; L88-L90 PolarHBondContact O-N 3.44Å
89A46.8Very low47.7Very low64 Ų64149.1 Ų149.153%0.52980%0.804SS.*  trans-75.6114.5165.100000108.7G87 F91G87-A89 PolarHBondContact O-N 3.1Å; G87-A89 VanDerWaalsContact O-N 3.11Å; A89-F91 PolarHBondContact O-N 3.28Å
90L62Low47.5Very low159 Ų159146 Ų14683%0.83279%0.79SS**THydrogen-bonded Turntrans-81.913.6-179.8-159.673000112.7L88L88-L90 PolarHBondContact O-N 3.44Å
91F55.9Low47.1Very low189 Ų189142.3 Ų142.383%0.82978%0.784SS**THydrogen-bonded Turntrans-14130.2-175.2-65.2-71.3000113.7A89 D93A89-F91 PolarHBondContact O-N 3.28Å; F91-D93 PolarHBondContact O-N 2.84Å
92D47.6Very low46.9Very low141 Ų141145.5 Ų145.575%0.75479%0.786SS**  trans-87.485.8164.3-74-21.2000108.4
93D51.4Low46.8Very low147 Ų147143.2 Ų143.279%0.78678%0.779SS**  trans-118.8111.1161.7-154.85.5000108.2F91 S95F91-D93 PolarHBondContact O-N 2.84Å; D93-S95 VanDerWaalsContact C-N 3.34Å; D93-S95 PolarHBondContact O-N 3.06Å
94D47.8Very low46.8Very low165 Ų165141.8 Ų141.888%0.88279%0.785SS**  trans-59.284.1-174.8-69.8-47.8000111.9
95S53.4Low47.2Very low103 Ų103141.3 Ų141.372%0.7278%0.783SS**  trans-115.1111.5163.154.90000109.1D93 E97D93-S95 VanDerWaalsContact C-N 3.34Å; D93-S95 PolarHBondContact O-N 3.06Å; S95-E97 PolarHBondContact O-N 3.39Å; S95-E97 VanDerWaalsContact O-N 3.11Å
96Q50.9Low47.7Very low198 Ų198141.4 Ų141.493%0.92578%0.783SS**  trans-35.4114.3179.8-74.5178.3-30.400112.2A98Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.93Å
97E44.1Very low48.9Very low191 Ų191142 Ų14289%0.89377%0.769SS**  trans-56.497.8164.4-66.7-169.315800108.8S95 D99S95-E97 PolarHBondContact O-N 3.39Å; S95-E97 VanDerWaalsContact O-N 3.11Å; E97-D99 PolarHBondContact O-N 2.78Å
98A46.8Very low50.4Low84 Ų84141.3 Ų141.369%0.69475%0.751SS**  trans-69.7107.4150.100000105.8Q96 V100Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.93Å; A98-V100 VanDerWaalsContact C-N 3.28Å; A98-V100 PolarHBondContact O-N 2.87Å
99D39.8Very low51.6Low159 Ų159137.7 Ų137.785%0.8573%0.73SS**  trans-35.786.5164.2-118.3-22.3000111.1E97E97-D99 PolarHBondContact O-N 2.78Å
100V42.3Very low52.8Low96 Ų96135.8 Ų135.858%0.58271%0.714SS**  trans-103.180.3162.6-176.10000105.1A98 W102A98-V100 VanDerWaalsContact C-N 3.28Å; A98-V100 PolarHBondContact O-N 2.87Å; V100-W102 VanDerWaalsContact C-N 3.26Å; V100-W102 PolarHBondContact O-N 3.11Å
101S42.4Very low53.5Low100 Ų100132.4 Ų132.470%0.69969%0.693SS**  trans-57.497.3160.464.60000106.9P103S101-P103 WeakPolarHBondContact O-CD 3.43Å
102W46.9Very low54.4Low208 Ų208126.5 Ų126.579%0.78867%0.672SS**  trans-59123.2166-71.389.6000106.1V100 D104V100-W102 VanDerWaalsContact C-N 3.26Å; V100-W102 PolarHBondContact O-N 3.11Å; W102-D104 PolarHBondContact O-N 2.95Å
103P45.2Very low55.7Low96 Ų96127 Ų12762%0.62366%0.663SS**  trans-63.7113.8179.524.5-29.1000106.9S101 R105S101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-R105 PolarHBondContact O-N 3.41Å
104D43.4Very low56.9Low172 Ų172120.2 Ų120.292%0.9263%0.627SS**  trans-63.876.1170.8-145.511.3000107.8W102W102-D104 PolarHBondContact O-N 2.95Å
105R52.4Low58.2Low205 Ų205116.7 Ų116.777%0.77461%0.607SS**SBendtrans-15199.3-178-78.9-166.4171.6-173.9-3109.3P103 I107P103-R105 PolarHBondContact O-N 3.41Å; R105-I107 PolarHBondContact O-N 3.43Å
106D54.9Low59.4Low170 Ų170117 Ų11791%0.90960%0.6SS**  trans19.471.2150.5-56.5-27.8000114.7S108D106-S108 PolarHBondContact O-N 3.31Å; D106-S108 VanDerWaalsContact O-N 3.08Å
107I64.9Low60.4Low87 Ų87112.5 Ų112.545%0.44658%0.58SS.*  trans-70108.6169.4-59.6178.4000105.7R105 K111 T112R105-I107 PolarHBondContact O-N 3.43Å; I107-K111 HydrophobicContact CG2-CB 3.75Å; I107-K111 HydrophobicContact CG2-CD 4.1Å; I107-K111 HydrophobicContact CG2-CG 3.87Å; I107-T112 WeakPolarHBondContact CG2-OG1 3.38Å
108S71.1Confident61.7Low64 Ų64105.2 Ų105.245%0.44855%0.545SS..  trans-54.8145.2175.766.30000110.2D106 A110 K111 T112D106-S108 PolarHBondContact O-N 3.31Å; D106-S108 VanDerWaalsContact O-N 3.08Å; S108-A110 PolarHBondContact O-N 3.45Å; S108-K111 WeakPolarHBondContact O-CA 3.3Å; S108-K111 WeakPolarHBondContact O-CB 3.48Å; S108-K111 PolarHBondContact O-N 2.88Å; S108-K111 PolarHBondContact OG-N 3.02Å; S108-T112 PolarHBondContact O-N 3.47Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 3.12Å
109E74.3Confident62.9Low94 Ų94104.2 Ų104.244%0.43954%0.543SS..Hα-helixtrans-52.5-35178.7-166.4-169.8158.100111.6K111 T112 R113 Q139E109-K111 PolarHBondContact O-N 3.37Å; E109-T112 PolarHBondContact O-N 3.42Å; E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.36Å; E109-R113 IonicContact OE1-CZ 3.12Å; E109-R113 VanDerWaalsContact OE1-CZ 3.23Å; E109-R113 IonicContact OE1-NE 3.98Å; E109-R113 PolarHBondContact OE1-NE 3.36Å; E109-R113 VanDerWaalsContact OE1-NE 3.09Å; E109-R113 IonicContact OE1-NH2 3.95Å; E109-R113 PolarHBondContact OE1-NH2 2.96Å; E109-Q139 PolarHBondContact OE2-NE2 2.89Å
110A72.2Confident64.5Low24 Ų24105.2 Ų105.220%0.19854%0.54CS..Hα-helixtrans-59.3-42.9174.300000112.7S108 R113 M114 L134S108-A110 PolarHBondContact O-N 3.45Å; A110-R113 PolarHBondContact O-N 3.07Å; A110-M114 WeakPolarHBondContact O-CB 3.42Å; A110-M114 PolarHBondContact O-N 3.4Å; A110-L134 HydrophobicContact CB-CD2 4.14Å
111K76.3Confident65.7Low88 Ų88105 Ų10538%0.38354%0.535SS..Hα-helixtrans-70.1-36.5177.3-172.6169-177.9175.50111.8I107 S108 E109 M114 L115 L134I107-K111 HydrophobicContact CG2-CB 3.75Å; I107-K111 HydrophobicContact CG2-CD 4.1Å; I107-K111 HydrophobicContact CG2-CG 3.87Å; S108-K111 WeakPolarHBondContact O-CA 3.3Å; S108-K111 WeakPolarHBondContact O-CB 3.48Å; S108-K111 PolarHBondContact O-N 2.88Å; S108-K111 PolarHBondContact OG-N 3.02Å; E109-K111 PolarHBondContact O-N 3.37Å; K111-M114 HydrophobicContact CG-CE 4.27Å; K111-M114 PolarHBondContact O-N 3.09Å; K111-L115 HydrophobicContact CG-CD1 4.15Å; K111-L115 WeakPolarHBondContact O-CB 3.43Å; K111-L115 PolarHBondContact O-N 3.2Å; K111-L134 HydrophobicContact CB-CD1 4.42Å
112T75.2Confident66.9Low64 Ų64102.1 Ų102.139%0.39352%0.52SS..Hα-helixtrans-63.5-45.3173-500000111.2I107 S108 E109 M114 L115 L116I107-T112 WeakPolarHBondContact CG2-OG1 3.38Å; S108-T112 PolarHBondContact O-N 3.47Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 3.12Å; E109-T112 PolarHBondContact O-N 3.42Å; T112-M114 VanDerWaalsContact C-N 3.33Å; T112-M114 PolarHBondContact O-N 2.79Å; T112-L115 PolarHBondContact O-N 2.89Å; T112-L116 HydrophobicContact CG2-CD1 4.26Å; T112-L116 WeakPolarHBondContact O-CB 3.5Å; T112-L116 PolarHBondContact O-N 3.34Å
113R75.1Confident68Low151 Ų15198 Ų9857%0.5752%0.524SS*.Hα-helixtrans-61.3-41174.3-72.2177.5-176.6-159.42111.6E109 A110 L116 Q117E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.36Å; E109-R113 IonicContact OE1-CZ 3.12Å; E109-R113 VanDerWaalsContact OE1-CZ 3.23Å; E109-R113 IonicContact OE1-NE 3.98Å; E109-R113 PolarHBondContact OE1-NE 3.36Å; E109-R113 VanDerWaalsContact OE1-NE 3.09Å; E109-R113 IonicContact OE1-NH2 3.95Å; E109-R113 PolarHBondContact OE1-NH2 2.96Å; A110-R113 PolarHBondContact O-N 3.07Å; R113-L116 PolarHBondContact O-N 3.1Å; R113-Q117 WeakPolarHBondContact O-CG 3.44Å; R113-Q117 PolarHBondContact O-N 3.31Å
114M74.8Confident69.3Low6 Ų695.6 Ų95.63%0.0351%0.505CS..Hα-helixtrans-63.1-47.5175-178-171.370.600111.8A110 K111 T112 L116 Q117 Q118 M129 D131 L134A110-M114 WeakPolarHBondContact O-CB 3.42Å; A110-M114 PolarHBondContact O-N 3.4Å; K111-M114 HydrophobicContact CG-CE 4.27Å; K111-M114 PolarHBondContact O-N 3.09Å; T112-M114 VanDerWaalsContact C-N 3.33Å; T112-M114 PolarHBondContact O-N 2.79Å; M114-L116 VanDerWaalsContact C-N 3.29Å; M114-L116 PolarHBondContact O-N 3.47Å; M114-Q117 CarbonylContact O-C 3.58Å; M114-Q117 PolarHBondContact O-N 2.95Å; M114-Q117 VanDerWaalsContact O-N 3.11Å; M114-Q118 HydrophobicContact CG-CG 4.26Å; M114-Q118 WeakPolarHBondContact O-CB 3.45Å; M114-Q118 WeakPolarHBondContact O-CG 3.27Å; M114-Q118 PolarHBondContact O-N 2.91Å; M114-M129 HydrophobicContact CB-CE 4.02Å; M114-M129 HydrophobicContact CG-CB 4.25Å; M114-M129 HydrophobicContact CG-CE 3.69Å; M114-M129 HydrophobicContact SD-CB 4.28Å; M114-M129 HydrophobicContact SD-CE 4.49Å; M114-D131 WeakPolarHBondContact CE-OD1 3.33Å; M114-L134 HydrophobicContact CB-CD1 4.38Å; M114-L134 HydrophobicContact CB-CD2 4.09Å; M114-L134 HydrophobicContact CE-CD1 4.03Å; M114-L134 HydrophobicContact SD-CD1 3.65Å; M114-L134 HydrophobicContact SD-CD2 4.39Å; M114-L134 HydrophobicContact SD-CG 4.18Å
115L76.3Confident70.7Confident90 Ų9092.3 Ų92.347%0.47149%0.493SS..Hα-helixtrans-59.7-41.3177.6-84.1155.2000111.4K111 T112 Q118 G119K111-L115 HydrophobicContact CG-CD1 4.15Å; K111-L115 WeakPolarHBondContact O-CB 3.43Å; K111-L115 PolarHBondContact O-N 3.2Å; T112-L115 PolarHBondContact O-N 2.89Å; L115-Q118 PolarHBondContact O-N 2.99Å; L115-G119 PolarHBondContact O-N 3.08Å
116L77.1Confident71.9Confident110 Ų11092 Ų9258%0.57649%0.492SS*.Hα-helixtrans-61.3-42.9172.4-86.2155.2000112.3T112 R113 M114 G119 K120T112-L116 HydrophobicContact CG2-CD1 4.26Å; T112-L116 WeakPolarHBondContact O-CB 3.5Å; T112-L116 PolarHBondContact O-N 3.34Å; R113-L116 PolarHBondContact O-N 3.1Å; M114-L116 VanDerWaalsContact C-N 3.29Å; M114-L116 PolarHBondContact O-N 3.47Å; L116-G119 PolarHBondContact O-N 2.98Å; L116-K120 WeakPolarHBondContact O-CG 3.42Å; L116-K120 PolarHBondContact O-N 3.36Å
117Q72.5Confident72.6Confident104 Ų10489.3 Ų89.349%0.48647%0.473SS..Hα-helixtrans-68.5-39.7176.6-74.9-178.4-300112.3R113 M114 G119 K120 I121R113-Q117 WeakPolarHBondContact O-CG 3.44Å; R113-Q117 PolarHBondContact O-N 3.31Å; M114-Q117 CarbonylContact O-C 3.58Å; M114-Q117 PolarHBondContact O-N 2.95Å; M114-Q117 VanDerWaalsContact O-N 3.11Å; Q117-G119 VanDerWaalsContact C-N 3.3Å; Q117-G119 PolarHBondContact O-N 3.46Å; Q117-K120 WeakPolarHBondContact O-CB 3.38Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-K120 VanDerWaalsContact O-N 3.09Å; Q117-I121 WeakPolarHBondContact O-CG1 3.28Å; Q117-I121 PolarHBondContact O-N 3.22Å
118Q72.5Confident72.8Confident37 Ų3793.6 Ų93.617%0.17348%0.483CS..Hα-helixtrans-65-36.1174.6-72.2-175.8300111.2M114 L115 K120 I121 G122 M129M114-Q118 HydrophobicContact CG-CG 4.26Å; M114-Q118 WeakPolarHBondContact O-CB 3.45Å; M114-Q118 WeakPolarHBondContact O-CG 3.27Å; M114-Q118 PolarHBondContact O-N 2.91Å; L115-Q118 PolarHBondContact O-N 2.99Å; Q118-K120 VanDerWaalsContact C-N 3.27Å; Q118-K120 PolarHBondContact O-N 2.97Å; Q118-I121 PolarHBondContact O-N 2.87Å; Q118-G122 PolarHBondContact O-N 3.42Å; Q118-M129 PolarHBondContact NE2-O 2.9Å
119G71Confident72.7Confident63 Ų6393.7 Ų93.765%0.64948%0.478SS*.Hα-helixtrans-60.7-33.3170.700000113.4L115 L116 Q117L115-G119 PolarHBondContact O-N 3.08Å; L116-G119 PolarHBondContact O-N 2.98Å; Q117-G119 VanDerWaalsContact C-N 3.3Å; Q117-G119 PolarHBondContact O-N 3.46Å
120K73.5Confident72.5Confident180 Ų18093.5 Ų93.578%0.78348%0.479SS*.Hα-helixtrans-77.4-35.8177.8-70.4179.6-178.6-172.50113.6L116 Q117 Q118L116-K120 WeakPolarHBondContact O-CG 3.42Å; L116-K120 PolarHBondContact O-N 3.36Å; Q117-K120 WeakPolarHBondContact O-CB 3.38Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-K120 VanDerWaalsContact O-N 3.09Å; Q118-K120 VanDerWaalsContact C-N 3.27Å; Q118-K120 PolarHBondContact O-N 2.97Å
121I68.3Low72.3Confident93 Ų9396.7 Ų96.748%0.47749%0.493SS..Hα-helixtrans-84.8-16.7-178.2-55.2164.1000111.4Q117 Q118 F127Q117-I121 WeakPolarHBondContact O-CG1 3.28Å; Q117-I121 PolarHBondContact O-N 3.22Å; Q118-I121 PolarHBondContact O-N 2.87Å; I121-F127 HydrophobicContact CB-CB 4.42Å; I121-F127 HydrophobicContact CG2-CB 3.4Å; I121-F127 HydrophobicContact CG2-CD1 4.35Å; I121-F127 HydrophobicContact CG2-CD2 3.91Å; I121-F127 HydrophobicContact CG2-CG 3.65Å
122G67.6Low72Confident38 Ų3899.7 Ų99.739%0.39251%0.512SS..  trans82.1176.1-177.500000112.1Q118 D124Q118-G122 PolarHBondContact O-N 3.42Å; G122-D124 PolarHBondContact O-N 2.89Å
123S69.9Low71.5Confident123 Ų123104.3 Ų104.386%0.8653%0.527SS*.SBendtrans-74.523.7-174.652.40000114.8P125S123-P125 VanDerWaalsContact O-CD 3.31Å; S123-P125 WeakPolarHBondContact O-CD 3.49Å
124D72.3Confident71Confident44 Ų4498.9 Ų98.924%0.23551%0.509CS..  trans-72.6117.3178.9-176.3-24.9000109.9G122 R126 F127G122-D124 PolarHBondContact O-N 2.89Å; D124-R126 PolarHBondContact O-N 2.9Å; D124-R126 WeakPolarHBondContact OD1-CB 3.48Å; D124-R126 WeakPolarHBondContact OD1-CG 3.44Å; D124-R126 IonicContact OD1-CZ 3.42Å; D124-R126 PolarHBondContact OD1-N 3.45Å; D124-R126 IonicContact OD1-NE 3.27Å; D124-R126 PolarHBondContact OD1-NE 2.91Å; D124-R126 VanDerWaalsContact OD1-NE 3.12Å; D124-R126 IonicContact OD1-NH2 2.72Å; D124-R126 IonicContact OD2-CZ 3.23Å; D124-R126 IonicContact OD2-NE 3.83Å; D124-R126 PolarHBondContact OD2-NE 2.93Å; D124-R126 IonicContact OD2-NH2 3.09Å; D124-R126 PolarHBondContact OD2-NH2 3.37Å; D124-F127 HydrophobicContact CB-CD2 3.82Å; D124-F127 HydrophobicContact CB-CE2 4.41Å; D124-F127 PolarHBondContact O-N 2.95Å; D124-F127 VanDerWaalsContact O-N 3.08Å; D124-F127 WeakPolarHBondContact OD2-CE2 3.33Å
125P72.5Confident70.2Confident103 Ų103101.4 Ų101.467%0.66953%0.532SS*.G310 helixtrans-56.7-26.6-176.7-24.733.8000114.1S123 F127 R128S123-P125 VanDerWaalsContact O-CD 3.31Å; S123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-F127 PolarHBondContact O-N 3.49Å; P125-R128 PolarHBondContact O-N 2.94Å
126R77.1Confident69.3Low199 Ų199104.2 Ų104.275%0.75155%0.547SS*.G310 helixtrans-71.1-19.5-177.6-62175.7-66.7178.61.1113.1D124D124-R126 PolarHBondContact O-N 2.9Å; D124-R126 WeakPolarHBondContact OD1-CB 3.48Å; D124-R126 WeakPolarHBondContact OD1-CG 3.44Å; D124-R126 IonicContact OD1-CZ 3.42Å; D124-R126 PolarHBondContact OD1-N 3.45Å; D124-R126 IonicContact OD1-NE 3.27Å; D124-R126 PolarHBondContact OD1-NE 2.91Å; D124-R126 VanDerWaalsContact OD1-NE 3.12Å; D124-R126 IonicContact OD1-NH2 2.72Å; D124-R126 IonicContact OD2-CZ 3.23Å; D124-R126 IonicContact OD2-NE 3.83Å; D124-R126 PolarHBondContact OD2-NE 2.93Å; D124-R126 IonicContact OD2-NH2 3.09Å; D124-R126 PolarHBondContact OD2-NH2 3.37Å
127F69.7Low68.3Low114 Ų114107.5 Ų107.550%0.556%0.557SS.*G310 helixtrans-114.310.5-177.8-55.2-78.8000113I121 D124 P125 M129I121-F127 HydrophobicContact CB-CB 4.42Å; I121-F127 HydrophobicContact CG2-CB 3.4Å; I121-F127 HydrophobicContact CG2-CD1 4.35Å; I121-F127 HydrophobicContact CG2-CD2 3.91Å; I121-F127 HydrophobicContact CG2-CG 3.65Å; D124-F127 HydrophobicContact CB-CD2 3.82Å; D124-F127 HydrophobicContact CB-CE2 4.41Å; D124-F127 PolarHBondContact O-N 2.95Å; D124-F127 VanDerWaalsContact O-N 3.08Å; D124-F127 WeakPolarHBondContact OD2-CE2 3.33Å; P125-F127 PolarHBondContact O-N 3.49Å; F127-M129 PolarHBondContact O-N 3.49Å
128R70.2Confident67.4Low176 Ų176109 Ų10966%0.66457%0.567SS**  trans-67.2108.1169.9-66.1-172.985.2158.45.1108.1P125 N130P125-R128 PolarHBondContact O-N 2.94Å; R128-N130 PolarHBondContact O-N 3.26Å
129M68.1Low66.5Low67 Ų67113.7 Ų113.733%0.3359%0.589SS.*  trans-61125.3172.4-171.6150.666.100108.4M114 Q118 F127 F133 L134M114-M129 HydrophobicContact CB-CE 4.02Å; M114-M129 HydrophobicContact CG-CB 4.25Å; M114-M129 HydrophobicContact CG-CE 3.69Å; M114-M129 HydrophobicContact SD-CB 4.28Å; M114-M129 HydrophobicContact SD-CE 4.49Å; Q118-M129 PolarHBondContact NE2-O 2.9Å; F127-M129 PolarHBondContact O-N 3.49Å; M129-F133 HydrophobicContact CG-CB 4.5Å; M129-L134 HydrophobicContact CE-CD2 4.38Å
130N70.2Confident65.3Low89 Ų89116.7 Ų116.748%0.47659%0.59SS.*  trans-69.9131.8-180-154.3-8000108.3R128 L132 F133R128-N130 PolarHBondContact O-N 3.26Å; N130-L132 PolarHBondContact O-N 3.06Å; N130-F133 HydrophobicContact CB-CD2 3.65Å; N130-F133 HydrophobicContact CB-CE2 3.85Å; N130-F133 PolarHBondContact O-N 3.24Å
131D67.9Low64.1Low92 Ų92116.6 Ų116.649%0.49259%0.589SS.*G310 helixtrans-56.2-23.8-179.5-66.40.6000111.8M114 F133 L134M114-D131 WeakPolarHBondContact CE-OD1 3.33Å; D131-F133 PolarHBondContact O-N 2.93Å; D131-L134 WeakPolarHBondContact O-CB 3.44Å; D131-L134 PolarHBondContact O-N 3.35Å
132L70.2Confident63.1Low150 Ų150119.2 Ų119.279%0.78560%0.6SS**G310 helixtrans-62.4-19.6173.9-69.3165.9000114.7N130N130-L132 PolarHBondContact O-N 3.06Å
133F64.8Low61.8Low161 Ų161124.6 Ų124.671%0.70662%0.62SS**G310 helixtrans-89.5-7.4175.1-67.4-72.9000113M129 N130 D131 A135M129-F133 HydrophobicContact CG-CB 4.5Å; N130-F133 HydrophobicContact CB-CD2 3.65Å; N130-F133 HydrophobicContact CB-CE2 3.85Å; N130-F133 PolarHBondContact O-N 3.24Å; D131-F133 PolarHBondContact O-N 2.93Å; F133-A135 PolarHBondContact O-N 3.34Å
134L64.2Low60.7Low37 Ų37124.7 Ų124.719%0.19461%0.607CS.*  trans-77.684.4165.9-58.8171.5000106.5A110 K111 M114 M129 D131 D136A110-L134 HydrophobicContact CB-CD2 4.14Å; K111-L134 HydrophobicContact CB-CD1 4.42Å; M114-L134 HydrophobicContact CB-CD1 4.38Å; M114-L134 HydrophobicContact CB-CD2 4.09Å; M114-L134 HydrophobicContact CE-CD1 4.03Å; M114-L134 HydrophobicContact SD-CD1 3.65Å; M114-L134 HydrophobicContact SD-CD2 4.39Å; M114-L134 HydrophobicContact SD-CG 4.18Å; M129-L134 HydrophobicContact CE-CD2 4.38Å; D131-L134 WeakPolarHBondContact O-CB 3.44Å; D131-L134 PolarHBondContact O-N 3.35Å; L134-D136 PolarHBondContact O-N 3.43Å
135A58.4Low59.3Low60 Ų60130.3 Ų130.350%0.49664%0.636SS.*  trans-53.1130.5161.800000107F133 F137F133-A135 PolarHBondContact O-N 3.34Å; A135-F137 HydrophobicContact CB-CE2 4.46Å; A135-F137 VanDerWaalsContact O-CD2 3.29Å; A135-F137 WeakPolarHBondContact O-CD2 3.47Å; A135-F137 PolarHBondContact O-N 3.28Å
136D57.4Low57.7Low148 Ų148132.3 Ų132.379%0.79164%0.635SS**  trans-58.591.5169.3-67.8-37.2000106.9L134 I138L134-D136 PolarHBondContact O-N 3.43Å; D136-I138 PolarHBondContact O-N 3.48Å
137F55.1Low55.9Low179 Ų179127.8 Ų127.879%0.78563%0.631SS**  trans-67.688.7165.5-78.4-85.2000104.8A135 Q139A135-F137 HydrophobicContact CB-CE2 4.46Å; A135-F137 VanDerWaalsContact O-CD2 3.29Å; A135-F137 WeakPolarHBondContact O-CD2 3.47Å; A135-F137 PolarHBondContact O-N 3.28Å; F137-Q139 PolarHBondContact O-N 3.34Å
138I54.1Low54.9Low136 Ų136131.1 Ų131.170%0.69765%0.653SS**  trans-57.9100.3156.5-59.5173.9000103.2D136 D140D136-I138 PolarHBondContact O-N 3.48Å; I138-D140 PolarHBondContact O-N 3.04Å
139Q53Low53.8Low136 Ų136127.8 Ų127.864%0.63665%0.649SS**  trans-66.393.2168.7-154.9170.541.200103.4E109 F137 K141E109-Q139 PolarHBondContact OE2-NE2 2.89Å; F137-Q139 PolarHBondContact O-N 3.34Å; Q139-K141 PolarHBondContact O-N 3.47Å
140D46.9Very low52.8Low125 Ų125129.5 Ų129.567%0.66866%0.659SS**  trans-54.4103.1164.6-78.8-30.2000104.7I138 E142I138-D140 PolarHBondContact O-N 3.04Å; D140-E142 HydrophobicContact CB-CG 4.49Å; D140-E142 PolarHBondContact O-N 3.43Å
141K48.3Very low51.8Low178 Ų178133.6 Ų133.677%0.77468%0.675SS**  trans-70.859.6167.9-75-175.2176.4-179.40107.4Q139 N143Q139-K141 PolarHBondContact O-N 3.47Å; K141-N143 VanDerWaalsContact C-N 3.26Å; K141-N143 PolarHBondContact O-N 3.46Å; K141-N143 VanDerWaalsContact O-N 3.16Å
142E46.7Very low51.1Low148 Ų148132 Ų13269%0.69267%0.669SS**  trans-75.995.4156.2-71.7-173.4168.100104.8D140 E144D140-E142 HydrophobicContact CB-CG 4.49Å; D140-E142 PolarHBondContact O-N 3.43Å; E142-E144 HydrophobicContact CB-CG 4.21Å; E142-E144 PolarHBondContact O-N 3.27Å
143N42Very low50.7Low152 Ų152129.5 Ų129.581%0.81366%0.657SS**  trans-61.174.6156.8-64.9-36000106.9K141 D145K141-N143 VanDerWaalsContact C-N 3.26Å; K141-N143 PolarHBondContact O-N 3.46Å; K141-N143 VanDerWaalsContact O-N 3.16Å; N143-D145 PolarHBondContact O-N 3.12Å
144E45.2Very low50.6Low125 Ų125126 Ų12658%0.58464%0.642SS**  trans-78.7105.9162.2-74.9-97.2141.500105E142 F146E142-E144 HydrophobicContact CB-CG 4.21Å; E142-E144 PolarHBondContact O-N 3.27Å; E144-F146 HydrophobicContact CB-CD2 4.1Å; E144-F146 HydrophobicContact CB-CE2 3.63Å; E144-F146 HydrophobicContact CB-CZ 4.02Å; E144-F146 WeakPolarHBondContact O-CD2 3.37Å; E144-F146 PolarHBondContact O-N 3.08Å
145D42.7Very low50.7Low161 Ų161127.8 Ų127.886%0.86166%0.655SS**  trans-57.387.9165.9-75.3-43.2000108N143 P147N143-D145 PolarHBondContact O-N 3.12Å; D145-P147 WeakPolarHBondContact O-CD 3.35Å
146F39Very low51.3Low146 Ų146131.1 Ų131.164%0.6466%0.658SS**  trans-71114.4173.7-76.2-81.6000108.3E144 L148E144-F146 HydrophobicContact CB-CD2 4.1Å; E144-F146 HydrophobicContact CB-CE2 3.63Å; E144-F146 HydrophobicContact CB-CZ 4.02Å; E144-F146 WeakPolarHBondContact O-CD2 3.37Å; E144-F146 PolarHBondContact O-N 3.08Å; F146-L148 PolarHBondContact O-N 2.97Å
147P40.3Very low51.9Low103 Ų103131.7 Ų131.767%0.66965%0.65SS**  trans-62.1137.5170.427.1-31.5000108.6D145 D149D145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-D149 PolarHBondContact O-N 3.05Å
148L48.1Very low52.7Low185 Ų185128.6 Ų128.697%0.96964%0.638SS**SBendtrans-65.665.9-173.7-147.9116.4000112F146F146-L148 PolarHBondContact O-N 2.97Å
149D47.1Very low53.4Low105 Ų105128 Ų12856%0.56164%0.635SS**  trans-134.89.1-178.1-140.61.3000113.7P147 E151 T152P147-D149 PolarHBondContact O-N 3.05Å; D149-E151 VanDerWaalsContact C-N 3.27Å; D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.17Å; D149-T152 PolarHBondContact O-N 3.09Å; D149-T152 PolarHBondContact O-OG1 2.66Å
150D48.3Very low54.1Low104 Ų104123.9 Ų123.956%0.55662%0.621SS**Hα-helixtrans-65-17.5-173.6-82.7-23.5000115.4T152 D153 E154D150-T152 VanDerWaalsContact C-N 3.3Å; D150-T152 PolarHBondContact O-N 2.72Å; D150-D153 PolarHBondContact O-N 3.21Å; D150-E154 PolarHBondContact O-N 3Å
151E49.3Very low55.3Low174 Ų174122 Ų12281%0.81361%0.61SS**Hα-helixtrans-70.4-27.5175.8-74.6-171157.700112.4D149 T155D149-E151 VanDerWaalsContact C-N 3.27Å; D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.17Å; E151-T155 PolarHBondContact O-OG1 2.96Å; E151-T155 VanDerWaalsContact O-OG1 3.08Å
152T53.1Low56.1Low60 Ų60115.7 Ų115.737%0.36859%0.592SS.*Hα-helixtrans-81.2-26.7178.265.20000112.8D149 D150 T155 K156D149-T152 PolarHBondContact O-N 3.09Å; D149-T152 PolarHBondContact O-OG1 2.66Å; D150-T152 VanDerWaalsContact C-N 3.3Å; D150-T152 PolarHBondContact O-N 2.72Å; T152-T155 PolarHBondContact O-OG1 3.5Å; T152-T155 VanDerWaalsContact O-OG1 3.06Å; T152-K156 WeakPolarHBondContact O-CB 3.42Å; T152-K156 WeakPolarHBondContact O-CG 3.37Å; T152-K156 PolarHBondContact O-N 2.85Å
153D60.7Low57Low96 Ų96115.6 Ų115.651%0.51359%0.591SS.*Hα-helixtrans-83.4-32.9178.8-93-1.6000112.6D150 K156 R157D150-D153 PolarHBondContact O-N 3.21Å; D153-K156 PolarHBondContact O-N 2.95Å; D153-K156 IonicContact OD1-NZ 3.99Å; D153-R157 WeakPolarHBondContact O-CB 3.44Å; D153-R157 PolarHBondContact O-N 3.46Å
154E63.7Low58.2Low87 Ų87115.2 Ų115.241%0.40758%0.582SS.*Hα-helixtrans-68.5-38.6174.3-176.156.1-155.200111.7D150 R157 Q158D150-E154 PolarHBondContact O-N 3Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.49Å; E154-Q158 WeakPolarHBondContact O-CB 3.35Å; E154-Q158 VanDerWaalsContact O-CG 3.29Å; E154-Q158 WeakPolarHBondContact O-CG 3.44Å; E154-Q158 PolarHBondContact O-N 3.26Å; E154-Q158 PolarHBondContact OE1-NE2 2.79Å
155T66.4Low59Low76 Ų76114.7 Ų114.747%0.46658%0.582SS.*Hα-helixtrans-67.2-41.1174.449.90000112.3E151 T152 R157 Q158 L159E151-T155 PolarHBondContact O-OG1 2.96Å; E151-T155 VanDerWaalsContact O-OG1 3.08Å; T152-T155 PolarHBondContact O-OG1 3.5Å; T152-T155 VanDerWaalsContact O-OG1 3.06Å; T155-R157 VanDerWaalsContact C-N 3.32Å; T155-R157 PolarHBondContact O-N 2.88Å; T155-Q158 PolarHBondContact O-N 3.06Å; T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.23Å
156K69.7Low59.8Low129 Ų129112 Ų11256%0.56157%0.572SS**Hα-helixtrans-62.2-37.3170.1-80.8174.8-173.2159.20112.6T152 D153 L159 S160T152-K156 WeakPolarHBondContact O-CB 3.42Å; T152-K156 WeakPolarHBondContact O-CG 3.37Å; T152-K156 PolarHBondContact O-N 2.85Å; D153-K156 PolarHBondContact O-N 2.95Å; D153-K156 IonicContact OD1-NZ 3.99Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-S160 WeakPolarHBondContact O-CB 3.42Å; K156-S160 PolarHBondContact O-N 3.33Å
157R70.7Confident60.1Low161 Ų161107.5 Ų107.561%0.60857%0.566SS**Hα-helixtrans-68.2-42.1178.4-163.8172.6-169.9-106.52.6111.1D153 E154 T155 S160 I161D153-R157 WeakPolarHBondContact O-CB 3.44Å; D153-R157 PolarHBondContact O-N 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.49Å; T155-R157 VanDerWaalsContact C-N 3.32Å; T155-R157 PolarHBondContact O-N 2.88Å; R157-S160 PolarHBondContact O-N 3.03Å; R157-I161 HydrophobicContact CG-CD1 4.43Å; R157-I161 WeakPolarHBondContact O-CD1 3.36Å; R157-I161 VanDerWaalsContact O-CG1 3.23Å; R157-I161 WeakPolarHBondContact O-CG1 3.34Å; R157-I161 PolarHBondContact O-N 3.41Å
158Q72.7Confident60.3Low114 Ų114111.6 Ų111.653%0.53357%0.574SS.*Hα-helixtrans-65.3-42.2173.7-71.1177.81300111.9E154 T155 I161 A162E154-Q158 WeakPolarHBondContact O-CB 3.35Å; E154-Q158 VanDerWaalsContact O-CG 3.29Å; E154-Q158 WeakPolarHBondContact O-CG 3.44Å; E154-Q158 PolarHBondContact O-N 3.26Å; E154-Q158 PolarHBondContact OE1-NE2 2.79Å; T155-Q158 PolarHBondContact O-N 3.06Å; Q158-I161 PolarHBondContact O-N 2.92Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.27Å
159L68.4Low59.9Low122 Ų122107.4 Ų107.464%0.63956%0.556SS**Hα-helixtrans-64.2-39.6173.5-79165.2000112.4T155 K156 A162 E163T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.23Å; K156-L159 PolarHBondContact O-N 2.95Å; L159-A162 PolarHBondContact O-N 2.86Å; L159-E163 VanDerWaalsContact O-CB 3.24Å; L159-E163 WeakPolarHBondContact O-CB 3.37Å; L159-E163 PolarHBondContact O-N 3.44Å
160S67.9Low59.6Low50 Ų50110.4 Ų110.435%0.3557%0.566SS.*Hα-helixtrans-67.9-34.2176-173.60000112.6K156 R157 K164K156-S160 WeakPolarHBondContact O-CB 3.42Å; K156-S160 PolarHBondContact O-N 3.33Å; R157-S160 PolarHBondContact O-N 3.03Å; S160-K164 WeakPolarHBondContact O-CB 3.43Å; S160-K164 WeakPolarHBondContact O-CG 3.45Å; S160-K164 PolarHBondContact O-N 2.95Å
161I70.6Confident59Low86 Ų86110.2 Ų110.244%0.44157%0.571SS.*Hα-helixtrans-68.8-45172.4-68.6164.5000109.9R157 Q158 K164 I165R157-I161 HydrophobicContact CG-CD1 4.43Å; R157-I161 WeakPolarHBondContact O-CD1 3.36Å; R157-I161 VanDerWaalsContact O-CG1 3.23Å; R157-I161 WeakPolarHBondContact O-CG1 3.34Å; R157-I161 PolarHBondContact O-N 3.41Å; Q158-I161 PolarHBondContact O-N 2.92Å; I161-K164 PolarHBondContact O-N 3.42Å; I161-I165 HydrophobicContact CG2-CD1 3.73Å; I161-I165 WeakPolarHBondContact O-CD1 3.37Å; I161-I165 WeakPolarHBondContact O-CG1 3.04Å; I161-I165 PolarHBondContact O-N 2.95Å
162A64.8Low58.3Low46 Ų46108 Ų10838%0.3858%0.575SS.*Hα-helixtrans-62-44.117600000111.8Q158 L159 K164 I165 V166Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.27Å; L159-A162 PolarHBondContact O-N 2.86Å; A162-K164 VanDerWaalsContact C-N 3.35Å; A162-K164 PolarHBondContact O-N 3.13Å; A162-I165 PolarHBondContact O-N 3.39Å; A162-I165 VanDerWaalsContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CB 3.31Å; A162-V166 VanDerWaalsContact O-CG2 3.22Å; A162-V166 WeakPolarHBondContact O-CG2 3.49Å; A162-V166 PolarHBondContact O-N 2.98Å
163E66.7Low57.4Low145 Ų145115.6 Ų115.668%0.67860%0.596SS**Hα-helixtrans-65.1-35.2176.5-169.1179.2-159.400112L159 G167L159-E163 VanDerWaalsContact O-CB 3.24Å; L159-E163 WeakPolarHBondContact O-CB 3.37Å; L159-E163 PolarHBondContact O-N 3.44Å; E163-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.36Å
164K66.6Low56Low145 Ų145116.2 Ų116.263%0.6361%0.608SS**Hα-helixtrans-68.9-34.3171.7-82.8174179.2167.20113.2S160 I161 A162 F168S160-K164 WeakPolarHBondContact O-CB 3.43Å; S160-K164 WeakPolarHBondContact O-CG 3.45Å; S160-K164 PolarHBondContact O-N 2.95Å; I161-K164 PolarHBondContact O-N 3.42Å; A162-K164 VanDerWaalsContact C-N 3.35Å; A162-K164 PolarHBondContact O-N 3.13Å; K164-F168 WeakPolarHBondContact O-CD2 3.29Å; K164-F168 PolarHBondContact O-N 2.99Å
165I62.6Low54.7Low114 Ų114121.9 Ų121.959%0.58563%0.632SS**Hα-helixtrans-74.7-40.4177.7-66.9164.5000110.1I161 A162I161-I165 HydrophobicContact CG2-CD1 3.73Å; I161-I165 WeakPolarHBondContact O-CD1 3.37Å; I161-I165 WeakPolarHBondContact O-CG1 3.04Å; I161-I165 PolarHBondContact O-N 2.95Å; A162-I165 PolarHBondContact O-N 3.39Å; A162-I165 VanDerWaalsContact O-N 3.16Å
166V58.7Low53Low105 Ų105122.5 Ų122.564%0.63665%0.645SS**Hα-helixtrans-75.8-38.7178.6175.40000111.4A162 F168 V169A162-V166 WeakPolarHBondContact O-CB 3.31Å; A162-V166 VanDerWaalsContact O-CG2 3.22Å; A162-V166 WeakPolarHBondContact O-CG2 3.49Å; A162-V166 PolarHBondContact O-N 2.98Å; V166-F168 VanDerWaalsContact C-N 3.27Å; V166-F168 PolarHBondContact O-N 2.92Å; V166-V169 PolarHBondContact O-N 3.03Å; V166-V169 VanDerWaalsContact O-N 3.08Å
167G45.4Very low51.2Low51 Ų51123.6 Ų123.653%0.52666%0.656SS.*THydrogen-bonded Turntrans-73.2-12.2177.200000114.7E163E163-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.36Å
168F44.8Very low49.8Very low188 Ų188125.2 Ų125.283%0.82567%0.668SS**THydrogen-bonded Turntrans-79.6-5.9167.6-111.2-89.4000113.1K164 V166K164-F168 WeakPolarHBondContact O-CD2 3.29Å; K164-F168 PolarHBondContact O-N 2.99Å; V166-F168 VanDerWaalsContact C-N 3.27Å; V166-F168 PolarHBondContact O-N 2.92Å
169V39.8Very low47.9Very low98 Ų98125.4 Ų125.459%0.59468%0.677SS**  trans-104.253.7173.1-165.70000108.7V166 P171V166-V169 PolarHBondContact O-N 3.03Å; V166-V169 VanDerWaalsContact O-N 3.08Å; V169-P171 VanDerWaalsContact O-CD 3.26Å; V169-P171 WeakPolarHBondContact O-CD 3.41Å
170E41.2Very low46.4Very low167 Ų167126.4 Ų126.478%0.7868%0.682SS**  trans-74.4116.6160.2-100.4-167.116300108.2S172E170-S172 PolarHBondContact O-N 3.24Å
171P35.9Very low44.9Very low100 Ų100130.5 Ų130.565%0.64970%0.7SS**  trans-66.9109.5170.427.6-29000106.5V169 R173V169-P171 VanDerWaalsContact O-CD 3.26Å; V169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-R173 PolarHBondContact O-N 2.97Å
172S33.5Very low43.3Very low129 Ų129131.5 Ų131.590%0.90272%0.715SS**  trans-56.982.8171.8-86.20000110.3E170 S174E170-S172 PolarHBondContact O-N 3.24Å; S172-S174 PolarHBondContact O-N 3.42Å; S172-S174 VanDerWaalsContact O-N 3.16Å
173R34.4Very low41.7Very low218 Ų218133.8 Ų133.882%0.82373%0.734SS**  trans-79.290.5165-79.7-173.8163.5-170.5-3107.3P171 K175P171-R173 PolarHBondContact O-N 2.97Å; R173-K175 PolarHBondContact O-N 3.01Å
174S30.8Very low40.2Very low109 Ų109132.8 Ų132.876%0.76274%0.743SS**  trans22.696.6137.360.30000115.8S172S172-S174 PolarHBondContact O-N 3.42Å; S172-S174 VanDerWaalsContact O-N 3.16Å
175K37Very low39Very low207 Ų207130 Ų13090%0.975%0.747SS**  trans-137.1102.6144.7-74.8-159.2177.3-179.90109.7R173R173-K175 PolarHBondContact O-N 3.01Å
176A31.3Very low37.8Very low89 Ų89136 Ų13674%0.73676%0.762SS**  trans-60.7156.5158.400000110.1
177D32.3Very low36.6Very low151 Ų151140.9 Ų140.981%0.80778%0.775SS**  trans70.493.1170-64.4-19.1000117.8
178K40.1Very low36.4Very low195 Ų195143.8 Ų143.885%0.84879%0.787SS**  -178.9103.6109.3-95.9161.2-177.7178.50111.3
179T32.1Very low36.3Very low119 Ų119147.2 Ų147.273%0.7379%0.794SS**  28.2127.1126.650.20000119.4
180L37.3Very low36.4Very low143 Ų143147.6 Ų147.675%0.74980%0.801SS**  trans81.999.7141-64.6161.2000118
181N36.2Very low36.7Very low136 Ų136143.8 Ų143.873%0.72780%0.799SS**  154.9117.394.8-86.5-20.1000113.6
182S37.1Very low37.5Very low106 Ų106147.8 Ų147.874%0.74181%0.806SS**  trans31.5116.5136.867.50000119.6
183A32.5Very low38Very low94 Ų94148 Ų14878%0.77780%0.802SS**  145.2136.192.800000112.6
184S35.5Very low38.8Very low124 Ų124142.5 Ų142.587%0.86778%0.784SS**  trans84.2113.4148.6-154.20000119.3
185A41.1Very low39.8Very low87 Ų87141.9 Ų141.972%0.71978%0.777SS**  trans137.992.6136.300000110.8
186R36.3Very low40.4Very low239 Ų239140.6 Ų140.690%0.90278%0.779SS**  68.9107.496.6-82-174.6163.6-172.1-2.9114.7
187K35.2Very low41.7Very low209 Ų209139.7 Ų139.791%0.90978%0.778SS**  trans46.794.5138.7-80.3172.8169.9175.20117.1
188S40.5Very low43.1Very low112 Ų112136.6 Ų136.678%0.78376%0.764SS**  trans-139112.5137.855.60000108.7S190S188-S190 VanDerWaalsContact C-N 3.33Å; S188-S190 PolarHBondContact O-N 3.4Å; S188-S190 VanDerWaalsContact O-N 3.15Å
189R42.1Very low44.7Very low259 Ų259138 Ų13898%0.97776%0.764SS**  trans-75.191.8164.6-79.4177.7164.9-179.9-5.9105.7A191R189-A191 PolarHBondContact O-N 3.49Å
190S43Very low46.9Very low106 Ų106138 Ų13874%0.74175%0.751SS**  trans-69.4120.1167.345.70000108.3S188 K192S188-S190 VanDerWaalsContact C-N 3.33Å; S188-S190 PolarHBondContact O-N 3.4Å; S188-S190 VanDerWaalsContact O-N 3.15Å; S190-K192 PolarHBondContact O-N 2.98Å
191A46.8Very low48.9Very low87 Ų87134.5 Ų134.572%0.71973%0.734SS**  trans-57.412917000000108.4R189 T193R189-A191 PolarHBondContact O-N 3.49Å; A191-T193 PolarHBondContact O-N 3.41Å
192K51.6Low50.9Low185 Ų185131.2 Ų131.280%0.80472%0.72SS**  trans-67.495.9172.5-76.5174.7176.3175.70108.3S190 F194S190-K192 PolarHBondContact O-N 2.98Å; K192-F194 PolarHBondContact O-N 3.03Å
193T45.6Very low53Low134 Ų134134 Ų13482%0.82272%0.721SS**  trans-69.9111.6167.7-23.20000107.4A191A191-T193 PolarHBondContact O-N 3.41Å
194F50.7Low55.3Low101 Ų101132.1 Ų132.144%0.44370%0.698SS.*  trans-71.1148.1169.5-77.1-88000109.5K192 I196 F210K192-F194 PolarHBondContact O-N 3.03Å; F194-I196 PolarHBondContact O-N 2.83Å; F194-F210 HydrophobicContact CE2-CE1 4.36Å; F194-F210 HydrophobicContact CE2-CE2 4.18Å; F194-F210 AromaticContact CE2-CZ 3.59Å; F194-F210 HydrophobicContact CE2-CZ 3.59Å; F194-F210 AromaticContact CZ-CE2 3.9Å; F194-F210 HydrophobicContact CZ-CE2 3.9Å; F194-F210 AromaticContact CZ-CZ 3.6Å; F194-F210 HydrophobicContact CZ-CZ 3.6Å
195P50.9Low57.4Low96 Ų96130.8 Ų130.862%0.62369%0.687SS**  trans-57.3126.1170.523.5-30.8000109.1G197 V198P195-G197 PolarHBondContact O-N 2.89Å; P195-V198 HydrophobicContact CG-CG2 4.09Å
196I50.8Low59.1Low181 Ų181128.4 Ų128.493%0.92867%0.665SS**THydrogen-bonded Turntrans-57110.9175.2-63.9165.5000107.2F194F194-I196 PolarHBondContact O-N 2.83Å
197G58.4Low61.1Low69 Ų69118.1 Ų118.171%0.71163%0.627SS**THydrogen-bonded Turntrans138.1-10.317600000117P195 R199P195-G197 PolarHBondContact O-N 2.89Å; G197-R199 PolarHBondContact O-N 2.99Å
198V61.1Low62.9Low87 Ų87112.5 Ų112.553%0.52760%0.604SS.*  trans-74.4112177.5-173.20000109.9P195P195-V198 HydrophobicContact CG-CG2 4.09Å
199R73.3Confident64.5Low225 Ų225114.9 Ų114.985%0.84960%0.595SS**  trans-70140.7171.7-67.8-177.8176.9-127.60.1109.4G197 D201 H207G197-R199 PolarHBondContact O-N 2.99Å; R199-D201 PolarHBondContact O-N 3Å; R199-H207 PolarHBondContact O-CE1 3.36Å; R199-H207 VanDerWaalsContact O-CE1 3.28Å
200Y79.3Confident65.6Low117 Ų117108 Ų10846%0.45957%0.573SS.*  trans-57.1134.3170.9-175.8-97000110.1P202 H207 E211Y200-P202 HydrophobicContact CE1-CB 4.09Å; Y200-H207 HydrophobicContact CD2-CB 4.01Å; Y200-H207 HydrophobicContact CE2-CB 3.74Å; Y200-E211 WeakPolarHBondContact OH-CG 3.38Å; Y200-E211 PolarHBondContact OH-OE1 2.93Å
201D79.4Confident66.8Low70 Ų70107.1 Ų107.137%0.37456%0.557SS.*  trans-132.9107.9-177.8-179.13.8000107.6R199 E203 N204 H207R199-D201 PolarHBondContact O-N 3Å; D201-E203 PolarHBondContact O-N 2.87Å; D201-E203 PolarHBondContact OD1-N 2.81Å; D201-E203 VanDerWaalsContact OD1-N 3.14Å; D201-N204 HydrophobicContact CB-CB 4.03Å; D201-N204 PolarHBondContact O-N 2.72Å; D201-H207 WeakPolarHBondContact CB-ND1 3.5Å; D201-H207 PolarHBondContact N-ND1 3.26Å; D201-H207 WeakPolarHBondContact O-CB 3.41Å; D201-H207 PolarHBondContact O-ND1 2.8Å
202P77.7Confident67.6Low68 Ų68111.1 Ų111.144%0.44257%0.566SS.*THydrogen-bonded Turntrans-66.3-20.6-176.826.1-32.8000113.4Y200 N204 Q208Y200-P202 HydrophobicContact CE1-CB 4.09Å; P202-N204 VanDerWaalsContact C-N 3.32Å; P202-Q208 PolarHBondContact O-NE2 2.88Å
203E82.3Confident68.1Low164 Ų164109.3 Ų109.377%0.76656%0.56SS**THydrogen-bonded Turntrans-83.8-10.8178-59.4-60.4153.900112.4D201 P205D201-E203 PolarHBondContact O-N 2.87Å; D201-E203 PolarHBondContact OD1-N 2.81Å; D201-E203 VanDerWaalsContact OD1-N 3.14Å; E203-P205 WeakPolarHBondContact O-CD 3.45Å
204N79.7Confident68.7Low54 Ų54108.7 Ų108.729%0.28956%0.558SS.*  trans-90.1114.1177.5-169.4-27.3000110.2D201 P202 S206 H207 Q208D201-N204 HydrophobicContact CB-CB 4.03Å; D201-N204 PolarHBondContact O-N 2.72Å; P202-N204 VanDerWaalsContact C-N 3.32Å; N204-S206 VanDerWaalsContact CG-OG 3.28Å; N204-S206 PolarHBondContact ND2-OG 3.42Å; N204-S206 PolarHBondContact O-N 3.11Å; N204-S206 VanDerWaalsContact OD1-CB 3.23Å; N204-S206 WeakPolarHBondContact OD1-CB 3.44Å; N204-S206 PolarHBondContact OD1-N 3.05Å; N204-S206 PolarHBondContact OD1-OG 2.81Å; N204-H207 HydrophobicContact CB-CB 4.41Å; N204-H207 PolarHBondContact O-N 3.16Å; N204-Q208 PolarHBondContact O-N 3.1Å
205P79.3Confident68.4Low97 Ų97108.8 Ų108.863%0.6357%0.571SS**Hα-helixtrans-61.2-20.8-179.324.3-33.5000112.7E203 H207E203-P205 WeakPolarHBondContact O-CD 3.45Å; P205-H207 VanDerWaalsContact C-N 3.28Å; P205-H207 PolarHBondContact O-N 2.8Å
206S77.3Confident68.2Low37 Ų37109.7 Ų109.726%0.25958%0.577SS.*Hα-helixtrans-77.7-10.5175.685.40000113.8N204 R209N204-S206 VanDerWaalsContact CG-OG 3.28Å; N204-S206 PolarHBondContact ND2-OG 3.42Å; N204-S206 PolarHBondContact O-N 3.11Å; N204-S206 VanDerWaalsContact OD1-CB 3.23Å; N204-S206 WeakPolarHBondContact OD1-CB 3.44Å; N204-S206 PolarHBondContact OD1-N 3.05Å; N204-S206 PolarHBondContact OD1-OG 2.81Å; S206-R209 WeakPolarHBondContact O-CD 3.38Å; S206-R209 WeakPolarHBondContact O-CG 3.47Å; S206-R209 PolarHBondContact O-NE 3.32Å; S206-R209 PolarHBondContact O-NH2 2.93Å
207H78.7Confident67.7Low23 Ų23106.5 Ų106.511%0.10657%0.57CS.*Hα-helixtrans-97.9-31172.2-68.5175.7000111.8R199 Y200 D201 N204 P205 R209 F210R199-H207 PolarHBondContact O-CE1 3.36Å; R199-H207 VanDerWaalsContact O-CE1 3.28Å; Y200-H207 HydrophobicContact CD2-CB 4.01Å; Y200-H207 HydrophobicContact CE2-CB 3.74Å; D201-H207 WeakPolarHBondContact CB-ND1 3.5Å; D201-H207 PolarHBondContact N-ND1 3.26Å; D201-H207 WeakPolarHBondContact O-CB 3.41Å; D201-H207 PolarHBondContact O-ND1 2.8Å; N204-H207 HydrophobicContact CB-CB 4.41Å; N204-H207 PolarHBondContact O-N 3.16Å; P205-H207 VanDerWaalsContact C-N 3.28Å; P205-H207 PolarHBondContact O-N 2.8Å; H207-R209 PolarHBondContact O-N 2.88Å; H207-R209 VanDerWaalsContact O-N 3.17Å; H207-F210 WeakPolarHBondContact O-CB 3.29Å; H207-F210 PolarHBondContact O-N 3.18Å
208Q72.6Confident66.7Low90 Ų90109.9 Ų109.942%0.42158%0.577SS.*Hα-helixtrans-57.6-29.5176.7-69.9177100113.6P202 N204 F210 E211P202-Q208 PolarHBondContact O-NE2 2.88Å; N204-Q208 PolarHBondContact O-N 3.1Å; Q208-F210 PolarHBondContact O-N 3.37Å; Q208-E211 WeakPolarHBondContact O-CB 3.43Å; Q208-E211 PolarHBondContact O-N 3.28Å
209R73.7Confident65.4Low162 Ų162110.4 Ų110.461%0.61159%0.585SS**THydrogen-bonded Turntrans-62.6-11.2173.155.6178.5176.3-165.5-5.1114.8S206 H207S206-R209 WeakPolarHBondContact O-CD 3.38Å; S206-R209 WeakPolarHBondContact O-CG 3.47Å; S206-R209 PolarHBondContact O-NE 3.32Å; S206-R209 PolarHBondContact O-NH2 2.93Å; H207-R209 PolarHBondContact O-N 2.88Å; H207-R209 VanDerWaalsContact O-N 3.17Å
210F64.5Low63.8Low114 Ų114108 Ų10850%0.558%0.583SS.*THydrogen-bonded Turntrans-105.5-1.5174-57.3-73.6000113F194 H207 Q208 L212F194-F210 HydrophobicContact CE2-CE1 4.36Å; F194-F210 HydrophobicContact CE2-CE2 4.18Å; F194-F210 AromaticContact CE2-CZ 3.59Å; F194-F210 HydrophobicContact CE2-CZ 3.59Å; F194-F210 AromaticContact CZ-CE2 3.9Å; F194-F210 HydrophobicContact CZ-CE2 3.9Å; F194-F210 AromaticContact CZ-CZ 3.6Å; F194-F210 HydrophobicContact CZ-CZ 3.6Å; H207-F210 WeakPolarHBondContact O-CB 3.29Å; H207-F210 PolarHBondContact O-N 3.18Å; Q208-F210 PolarHBondContact O-N 3.37Å; F210-L212 PolarHBondContact O-N 2.96Å; F210-L212 VanDerWaalsContact O-N 3.12Å
211E68.2Low61.9Low89 Ų89109.1 Ų109.142%0.41660%0.602SS.*SBendtrans-65.1114.6169.2-69.9-171.2163.600108.4Y200 Q208 H213Y200-E211 WeakPolarHBondContact OH-CG 3.38Å; Y200-E211 PolarHBondContact OH-OE1 2.93Å; Q208-E211 WeakPolarHBondContact O-CB 3.43Å; Q208-E211 PolarHBondContact O-N 3.28Å; E211-H213 PolarHBondContact O-N 3.33Å
212L64.8Low60Low171 Ų171112.9 Ų112.990%0.89562%0.622SS**  trans-65.691.2168.8-71.7169.2000107.2F210 P214F210-L212 PolarHBondContact O-N 2.96Å; F210-L212 VanDerWaalsContact O-N 3.12Å; L212-P214 WeakPolarHBondContact O-CD 3.48Å
213H62.1Low57.9Low147 Ų147113.6 Ų113.668%0.68164%0.642SS**  trans-54.5124.6165.8-73.2-65.4000107.5E211 S215E211-H213 PolarHBondContact O-N 3.33Å; H213-S215 PolarHBondContact O-N 3.43Å
214P57.2Low55.8Low121 Ų121110.6 Ų110.679%0.78665%0.645SS**  trans-59.4106.7173.823-30.3000106.9L212L212-P214 WeakPolarHBondContact O-CD 3.48Å
215S44.1Very low54.2Low103 Ų103118 Ų11872%0.7268%0.675SS**  trans-57.2135170.4-59.10000106.8H213 S217H213-S215 PolarHBondContact O-N 3.43Å; S215-S217 PolarHBondContact O-N 3.02Å; S215-S217 VanDerWaalsContact O-N 3.09Å
216P48.5Very low52.4Low115 Ų115118 Ų11875%0.74768%0.677SS**  trans-55.4124.1177.121.9-31.2000108.4T218P216-T218 PolarHBondContact O-N 3.3Å
217S38.5Very low50.6Low113 Ų113127.1 Ų127.179%0.7971%0.705SS**  trans-49.7106.3177-87.30000110S215 S219S215-S217 PolarHBondContact O-N 3.02Å; S215-S217 VanDerWaalsContact O-N 3.09Å; S217-S219 PolarHBondContact O-N 2.96Å; S217-S219 VanDerWaalsContact O-N 3.11Å
218T37.8Very low48.9Very low140 Ų140136.8 Ų136.886%0.85974%0.741SS**  trans-8562.9165.649.10000109.2P216 H220P216-T218 PolarHBondContact O-N 3.3Å; T218-H220 VanDerWaalsContact C-N 3.25Å; T218-H220 PolarHBondContact O-N 3.47Å; T218-H220 VanDerWaalsContact O-N 3.14Å
219S35.5Very low47.5Very low98 Ų98139.8 Ų139.869%0.68576%0.76SS**  trans-80.875.816266.40000109S217S217-S219 PolarHBondContact O-N 2.96Å; S217-S219 VanDerWaalsContact O-N 3.11Å
220H38.1Very low46.1Very low175 Ų175137 Ų13781%0.8177%0.765SS**  trans-129.970.6164-98.4-52.6000109.8T218 N222T218-H220 VanDerWaalsContact C-N 3.25Å; T218-H220 PolarHBondContact O-N 3.47Å; T218-H220 VanDerWaalsContact O-N 3.14Å; H220-N222 PolarHBondContact O-N 2.96Å
221V39Very low44.8Very low140 Ų140142.7 Ų142.785%0.84879%0.785SS**  trans-81.297.3149.5-178.40000105.6
222N41Very low43.6Very low149 Ų149142.6 Ų142.680%0.79780%0.8SS**  trans-157.3105151.6-92.1-28.1000107.9H220 A224H220-N222 PolarHBondContact O-N 2.96Å; N222-A224 PolarHBondContact O-N 3.49Å
223G33Very low42.5Very low84 Ų84140.4 Ų140.487%0.86680%0.796SS**  trans-66.2128.6171.500000110.4
224A38.9Very low41.5Very low100 Ų100140.2 Ų140.283%0.82680%0.804SS**  trans-154.1134.5151.900000108.7N222N222-A224 PolarHBondContact O-N 3.49Å
225K45.5Very low40.8Very low211 Ų211140.4 Ų140.492%0.91780%0.803SS**  trans-66158.3-171.2-65162.4172.9170.60112.1
226S41Very low40.2Very low96 Ų96141.1 Ų141.167%0.67181%0.808SS**  trans101.1118.2135.4-179.70000119.5
227R40.8Very low39.8Very low228 Ų228140.5 Ų140.586%0.8681%0.807SS**  trans76.8105.1149.3-72.1171.1-179.5-155.2-1116.3
228R41.8Very low39.5Very low226 Ų226140.6 Ų140.685%0.85381%0.807SS**  71.8141.384.5-95.5-161.3-158.4178.66.6112.8
229D42.7Very low39.5Very low153 Ų153141 Ų14182%0.81880%0.803SS**  trans82.1125.2177.8-42.5-28.7000112.1
230S45.2Very low39.6Very low104 Ų104147.5 Ų147.573%0.72781%0.812SS**  cis-172.31407.545.50000109.1
231Y37.8Very low39.6Very low233 Ų233147.2 Ų147.291%0.91481%0.811SS**  trans24.7117.4150.4-72-94.3000121.7
232A41.7Very low39.4Very low87 Ų87149.4 Ų149.472%0.71981%0.812SS**  trans-161.7126.5133.700000110.7
233P43.2Very low38.9Very low125 Ų125148.6 Ų148.681%0.81281%0.813SS**  trans-84.5113.5170.931.8-26.5000109.2V235P233-V235 PolarHBondContact O-N 3.5Å
234V41.1Very low39Very low143 Ų143150.8 Ų150.887%0.86781%0.809SS**  trans-80.8119.9173.4177.80000109.2
235V41.6Very low38.8Very low126 Ų126149.9 Ų149.976%0.76480%0.802SS**  trans-57121.7-176.6176.10000111.7P233 S237P233-V235 PolarHBondContact O-N 3.5Å; V235-S237 PolarHBondContact O-N 2.91Å
236S32.1Very low38.5Very low117 Ų117145.9 Ų145.982%0.81880%0.797SS**  trans-73.2107166.142.10000110.3S238S236-S238 PolarHBondContact O-N 3.3Å
237S39.6Very low38.3Very low103 Ų103147.9 Ų147.972%0.7281%0.805SS**  trans-79.1111.8169.554.90000110.4V235 I239V235-S237 PolarHBondContact O-N 2.91Å; S237-I239 PolarHBondContact O-N 3.01Å
238S32.9Very low38Very low114 Ų114141.1 Ų141.180%0.79780%0.798SS**  trans-59.9113.5170.7170.30000111.3S236S236-S238 PolarHBondContact O-N 3.3Å
239I36.3Very low38.1Very low150 Ų150136.6 Ų136.677%0.76980%0.795SS**  trans-95.3109.6162.6-63.9173.3000106.2S237 E241S237-I239 PolarHBondContact O-N 3.01Å; I239-E241 PolarHBondContact O-N 3.39Å; I239-E241 VanDerWaalsContact O-N 3.15Å
240R38.1Very low37.8Very low233 Ų233137.6 Ų137.688%0.87980%0.795SS**  trans-64.9106168.3-97.2-179.6166.8176.1-3.6108.3Q242R240-Q242 PolarHBondContact O-N 3.48Å
241E38.7Very low37.8Very low170 Ų170138.6 Ų138.679%0.79480%0.797SS**  trans-65.7108.2163.6-75.4-177.5159.400108.9I239 T243I239-E241 PolarHBondContact O-N 3.39Å; I239-E241 VanDerWaalsContact O-N 3.15Å; E241-T243 PolarHBondContact O-N 3.41Å
242Q33.9Very low38.1Very low185 Ų185134.4 Ų134.486%0.86479%0.789SS**  trans-82.692.6167.4-155.3172.723.200106.9R240 V244R240-Q242 PolarHBondContact O-N 3.48Å; Q242-V244 PolarHBondContact O-N 3.09Å
243T31Very low38.5Very low132 Ų132135.6 Ų135.681%0.8178%0.783SS**  trans-6998.5177.49.70000109.8E241 A245E241-T243 PolarHBondContact O-N 3.41Å; T243-A245 PolarHBondContact O-N 2.98Å
244V35.5Very low39.4Very low131 Ų131133.3 Ų133.379%0.79476%0.763SS**PPolyproline II helixtrans-76.2116.6163.4-178.50000107.2Q242Q242-V244 PolarHBondContact O-N 3.09Å
245A33.8Very low40.2Very low81 Ų81131.8 Ų131.867%0.66976%0.757SS**PPolyproline II helixtrans-63.2136.7177.400000110.2T243 V247T243-A245 PolarHBondContact O-N 2.98Å; A245-V247 PolarHBondContact O-N 2.96Å
246P39.1Very low41.1Very low126 Ų126131.1 Ų131.182%0.81875%0.745SS**PPolyproline II helixtrans-69.7129.2178.228.7-31.5000109.8A248P246-A248 PolarHBondContact O-N 3.01Å
247V37.2Very low42.4Very low138 Ų138129.2 Ų129.284%0.83672%0.722SS**PPolyproline II helixtrans-61118.7169.1176.80000107.8A245 T249A245-V247 PolarHBondContact O-N 2.96Å; V247-T249 PolarHBondContact O-N 2.81Å; V247-T249 VanDerWaalsContact O-N 3.12Å
248A34.6Very low43.4Very low86 Ų86127.9 Ų127.971%0.71171%0.713SS**  trans-66.9108.6175.600000109.2P246 Q250P246-A248 PolarHBondContact O-N 3.01Å; A248-Q250 PolarHBondContact O-N 3.38Å
249T43.6Very low44.8Very low131 Ų131129.3 Ų129.380%0.80471%0.707SS**  trans-65.4102.216430.90000108.2V247 V251V247-T249 PolarHBondContact O-N 2.81Å; V247-T249 VanDerWaalsContact O-N 3.12Å; T249-V251 PolarHBondContact O-N 2.75Å
250Q37.9Very low46.1Very low174 Ų174129.8 Ų129.881%0.81370%0.699SS**  trans-67.7111.8166.7-74.2-177.17.700108A248 I252A248-Q250 PolarHBondContact O-N 3.38Å; Q250-I252 PolarHBondContact O-N 3.43Å
251V44.5Very low47Very low125 Ų125122.3 Ų122.376%0.75868%0.676SS**  trans-77106.2162.8179.40000105.6T249 L253T249-V251 PolarHBondContact O-N 2.75Å; V251-L253 PolarHBondContact O-N 3.27Å
252I43.6Very low48.2Very low145 Ų145120.9 Ų120.974%0.74467%0.667SS**  trans-76103.8174.4-58.4173000106.2Q250Q250-I252 PolarHBondContact O-N 3.43Å
253L51.2Low49.4Very low113 Ų113114.8 Ų114.859%0.59265%0.649SS**  trans-75.3125.1165.1-81.6154.4000107.5V251 P255V251-L253 PolarHBondContact O-N 3.27Å; L253-P255 WeakPolarHBondContact O-CD 3.45Å
254D60.3Low50.6Low77 Ų77112 Ų11241%0.41263%0.634SS.*  trans-53.8118.8175.6-173.42.9000109.5E256 F257D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 PolarHBondContact OD1-N 3.15Å; D254-F257 HydrophobicContact CB-CB 4.24Å; D254-F257 WeakPolarHBondContact O-CB 3.27Å; D254-F257 PolarHBondContact O-N 2.91Å
255P57.9Low51.6Low111 Ų111113.1 Ų113.172%0.72163%0.631SS**THydrogen-bonded Turntrans-58.6-29.7-177.8-21.631000112.7L253 F257L253-P255 WeakPolarHBondContact O-CD 3.45Å; P255-F257 VanDerWaalsContact C-N 3.26Å; P255-F257 PolarHBondContact O-N 3.41Å
256E61.7Low52.6Low112 Ų112119.5 Ų119.552%0.52364%0.638SS.*THydrogen-bonded Turntrans-79.6-7177.3-64.3-165.6175.600113.1D254 S258 E259 R260D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 PolarHBondContact OD1-N 3.15Å; E256-S258 PolarHBondContact O-N 3.04Å; E256-E259 PolarHBondContact O-N 3.35Å; E256-E259 VanDerWaalsContact O-N 3.1Å; E256-R260 WeakPolarHBondContact O-CB 3.18Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 3.47Å
257F58.5Low52.8Low77 Ų77119.2 Ų119.234%0.33863%0.629SS.*Hα-helixtrans-56.9-41.2178.3-178.3-99.2000111.9D254 P255 E259 L261 F274D254-F257 HydrophobicContact CB-CB 4.24Å; D254-F257 WeakPolarHBondContact O-CB 3.27Å; D254-F257 PolarHBondContact O-N 2.91Å; P255-F257 VanDerWaalsContact C-N 3.26Å; P255-F257 PolarHBondContact O-N 3.41Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 3.22Å; F257-L261 HydrophobicContact CE1-CD1 4.15Å; F257-L261 HydrophobicContact CZ-CD1 4.08Å; F257-L261 WeakPolarHBondContact O-CB 3.39Å; F257-L261 PolarHBondContact O-N 3.32Å; F257-F274 HydrophobicContact CE2-CE2 4.42Å; F257-F274 AromaticContact CE2-CZ 3.79Å; F257-F274 HydrophobicContact CE2-CZ 3.79Å; F257-F274 AromaticContact CZ-CZ 3.86Å; F257-F274 HydrophobicContact CZ-CZ 3.86Å
258S60.7Low53.3Low75 Ų75121.2 Ų121.252%0.52464%0.635SS.*Hα-helixtrans-71.2-29.7-179.7-57.20000112.3E256 K262E256-S258 PolarHBondContact O-N 3.04Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 2.73Å
259E62Low53.3Low143 Ų143119.1 Ų119.167%0.66862%0.622SS**Hα-helixtrans-80.3-37176.5-65.4-161164.300111.7E256 F257 K262 A263E256-E259 PolarHBondContact O-N 3.35Å; E256-E259 VanDerWaalsContact O-N 3.1Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 3.22Å; E259-K262 CarbonylContact O-C 3.59Å; E259-K262 PolarHBondContact O-N 3.21Å; E259-A263 WeakPolarHBondContact O-CB 3.16Å; E259-A263 PolarHBondContact O-N 3.49Å
260R63.6Low53.1Low161 Ų161121.6 Ų121.661%0.60863%0.63SS**Hα-helixtrans-63.8-39.2171.2-74.6177.6160.8-171.6-7.3112.4E256 K262 A263 S264E256-R260 WeakPolarHBondContact O-CB 3.18Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 3.47Å; R260-K262 VanDerWaalsContact C-N 3.35Å; R260-A263 PolarHBondContact O-N 2.93Å; R260-S264 PolarHBondContact O-N 3.25Å; R260-S264 PolarHBondContact O-OG 3.08Å
261L58.8Low53.2Low75 Ų75118.8 Ų118.839%0.39362%0.624SS.*Hα-helixtrans-62.4-44.7174.7-149.895.2000110.8F257 A263 S264 E265 F274F257-L261 HydrophobicContact CE1-CD1 4.15Å; F257-L261 HydrophobicContact CZ-CD1 4.08Å; F257-L261 WeakPolarHBondContact O-CB 3.39Å; F257-L261 PolarHBondContact O-N 3.32Å; L261-A263 VanDerWaalsContact C-N 3.33Å; L261-A263 PolarHBondContact O-N 3.19Å; L261-S264 PolarHBondContact O-N 3.17Å; L261-S264 PolarHBondContact O-OG 2.94Å; L261-E265 PolarHBondContact O-N 2.87Å; L261-F274 HydrophobicContact CD1-CE1 3.89Å; L261-F274 HydrophobicContact CD1-CZ 3.68Å
262K62.6Low53.3Low141 Ų141121.8 Ų121.861%0.61363%0.63SS**Hα-helixtrans-67.2-30.1175.3-75.7178.2179.5-178.80113.1S258 E259 R260S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 2.73Å; E259-K262 CarbonylContact O-C 3.59Å; E259-K262 PolarHBondContact O-N 3.21Å; R260-K262 VanDerWaalsContact C-N 3.35Å
263A59.9Low53.4Low57 Ų57122.4 Ų122.447%0.47163%0.63SS.*Hα-helixtrans-73.4-37.5174.500000111.8E259 R260 L261 E265 W266E259-A263 WeakPolarHBondContact O-CB 3.16Å; E259-A263 PolarHBondContact O-N 3.49Å; R260-A263 PolarHBondContact O-N 2.93Å; L261-A263 VanDerWaalsContact C-N 3.33Å; L261-A263 PolarHBondContact O-N 3.19Å; A263-E265 VanDerWaalsContact C-N 3.29Å; A263-E265 PolarHBondContact O-N 3.06Å; A263-W266 PolarHBondContact O-N 3.22Å
264S56.4Low53Low73 Ų73123.2 Ų123.251%0.5163%0.629SS.*Hα-helixtrans-72.6-16.9179.4680000114.8R260 L261 W266R260-S264 PolarHBondContact O-N 3.25Å; R260-S264 PolarHBondContact O-OG 3.08Å; L261-S264 PolarHBondContact O-N 3.17Å; L261-S264 PolarHBondContact O-OG 2.94Å; S264-W266 VanDerWaalsContact C-N 3.34Å
265E56.6Low52.6Low154 Ų154121.2 Ų121.272%0.7262%0.621SS**THydrogen-bonded Turntrans-80.2-16177.7-169.1172.4-160.800112.6L261 A263L261-E265 PolarHBondContact O-N 2.87Å; A263-E265 VanDerWaalsContact C-N 3.29Å; A263-E265 PolarHBondContact O-N 3.06Å
266W53.9Low52.2Low216 Ų216121.6 Ų121.682%0.81862%0.616SS**THydrogen-bonded Turntrans-106.2-12.4-176.9-67.766.8000113.7A263 S264A263-W266 PolarHBondContact O-N 3.22Å; S264-W266 VanDerWaalsContact C-N 3.34Å
267D44Very low51.7Low120 Ų120123.1 Ų123.164%0.64263%0.627SS**  trans-95.6100.1175.1-83.7-30.1000110.1G269D267-G269 PolarHBondContact O-N 3.17Å
268D47Very low51.4Low179 Ų179121.9 Ų121.996%0.95763%0.631SS**  trans-62.213.3165.5-90.5-27.7000113.2
269G35.5Very low51Low43 Ų43121.2 Ų121.244%0.44363%0.63SS.*SBendtrans-89.3120178.300000111.1D267 T271D267-G269 PolarHBondContact O-N 3.17Å; G269-T271 VanDerWaalsContact C-N 3.27Å; G269-T271 PolarHBondContact O-N 2.84Å; G269-T271 PolarHBondContact O-OG1 3.09Å
270L37.9Very low50.1Low183 Ų183122.3 Ų122.396%0.95863%0.633SS**  trans-50.881.4166.7-77.4146.8000112.1
271T39.7Very low48.9Very low114 Ų114118 Ų11870%0.69964%0.639SS**  trans-138.2106.5173.846.10000111.3G269G269-T271 VanDerWaalsContact C-N 3.27Å; G269-T271 PolarHBondContact O-N 2.84Å; G269-T271 PolarHBondContact O-OG1 3.09Å
272E48.1Very low48Very low188 Ų188124.7 Ų124.788%0.87966%0.659SS**  trans74120.3162.2-55.9-168.9167.100117.6F274E272-F274 PolarHBondContact O-N 2.87Å
273E45.9Very low46.9Very low159 Ų159123.7 Ų123.774%0.74366%0.664SS**  trans-56.890.4-178.7-60.2-178.8166.800112.3S275E273-S275 PolarHBondContact O-N 3.44Å; E273-S275 VanDerWaalsContact O-N 3.09Å
274F42.5Very low45.9Very low130 Ų130129.2 Ų129.257%0.5768%0.681SS**  trans-71.6104.6169.3-157.8-92.5000109.2F257 L261 E272F257-F274 HydrophobicContact CE2-CE2 4.42Å; F257-F274 AromaticContact CE2-CZ 3.79Å; F257-F274 HydrophobicContact CE2-CZ 3.79Å; F257-F274 AromaticContact CZ-CZ 3.86Å; F257-F274 HydrophobicContact CZ-CZ 3.86Å; L261-F274 HydrophobicContact CD1-CE1 3.89Å; L261-F274 HydrophobicContact CD1-CZ 3.68Å; E272-F274 PolarHBondContact O-N 2.87Å
275S51.1Low44.9Very low35 Ų35131.2 Ų131.225%0.24569%0.689CS.*  trans-118120.6172.4-165.60000109.5E273 L277 A278 A279E273-S275 PolarHBondContact O-N 3.44Å; E273-S275 VanDerWaalsContact O-N 3.09Å; S275-L277 PolarHBondContact O-N 3.11Å; S275-L277 VanDerWaalsContact O-N 3.09Å; S275-A278 WeakPolarHBondContact O-CA 3.46Å; S275-A278 WeakPolarHBondContact O-CB 3.35Å; S275-A278 PolarHBondContact O-N 2.83Å; S275-A279 PolarHBondContact O-N 3.21Å
276L49.9Very low43.7Very low119 Ų119132 Ų13262%0.62369%0.693SS**Hα-helixtrans-53.1-31.5171.9-133.2102.8000111.3A278 A279 F280L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 3.46Å; L276-A279 PolarHBondContact O-N 3.14Å; L276-F280 HydrophobicContact CD2-CD2 4.45Å; L276-F280 HydrophobicContact CD2-CE2 4.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 3.06Å; L276-F280 VanDerWaalsContact O-N 3.16Å
277L51.5Low42.6Very low144 Ų144129.6 Ų129.675%0.75469%0.691SS**Hα-helixtrans-69.6-24175-76.1155.1000113.8S275S275-L277 PolarHBondContact O-N 3.11Å; S275-L277 VanDerWaalsContact O-N 3.09Å
278A52.2Low42Very low50 Ų50128.4 Ų128.441%0.41370%0.698SS.*Hα-helixtrans-82.3-24.3174.100000112.4S275 L276S275-A278 WeakPolarHBondContact O-CA 3.46Å; S275-A278 WeakPolarHBondContact O-CB 3.35Å; S275-A278 PolarHBondContact O-N 2.83Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 3.46Å
279A51.5Low41.2Very low62 Ų62124.4 Ų124.451%0.51268%0.684SS.*Hα-helixtrans-78.9-36174.700000112.1S275 L276 G281S275-A279 PolarHBondContact O-N 3.21Å; L276-A279 PolarHBondContact O-N 3.14Å; A279-G281 PolarHBondContact O-N 2.87Å
280F42.7Very low41.1Very low165 Ų165129.6 Ų129.672%0.72470%0.701SS**THydrogen-bonded Turntrans-81.1102173-83.2-82.9000111.1L276L276-F280 HydrophobicContact CD2-CD2 4.45Å; L276-F280 HydrophobicContact CD2-CE2 4.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 3.06Å; L276-F280 VanDerWaalsContact O-N 3.16Å
281G40.1Very low40.8Very low70 Ų70130 Ų13072%0.72270%0.698SS**THydrogen-bonded Turntrans127.10.2171.500000115.9A279 T283A279-G281 PolarHBondContact O-N 2.87Å; G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 3.34Å
282R39.7Very low40.3Very low217 Ų217128.2 Ų128.282%0.81970%0.703SS**  trans-75.584.6166.3-70.8-172.4177.8-169.10.5109.6E284R282-E284 PolarHBondContact O-N 3.4Å
283T39.9Very low39.4Very low119 Ų119128.4 Ų128.473%0.7370%0.704SS**  trans-73.8104.3154.950.70000106.5G281 V285G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 3.34Å; T283-V285 PolarHBondContact O-N 2.98Å
284E38.8Very low38.9Very low174 Ų174127.9 Ų127.981%0.81371%0.711SS**  trans-62102.1170.5-146.3172-145.200107.4R282 Q286R282-E284 PolarHBondContact O-N 3.4Å; E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.47Å
285V34.8Very low38.3Very low114 Ų114125.7 Ų125.769%0.69172%0.717SS**  trans-7495.2171.3177.80000105.3T283 Q287T283-V285 PolarHBondContact O-N 2.98Å; V285-Q287 HydrophobicContact CG1-CG 4.27Å; V285-Q287 PolarHBondContact O-N 2.89Å
286Q31.9Very low37.4Very low172 Ų172131.8 Ų131.880%0.80475%0.746SS**  trans-60.493.1160.7-76.8-175.88.800107.3E284 A288E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.47Å; Q286-A288 VanDerWaalsContact C-N 3.31Å; Q286-A288 PolarHBondContact O-N 3.42Å
287Q30.3Very low36.8Very low164 Ų164134.8 Ų134.877%0.76676%0.757SS**  trans-66.8101.5157.2-82.4-173.41.400106V285 S289V285-Q287 HydrophobicContact CG1-CG 4.27Å; V285-Q287 PolarHBondContact O-N 2.89Å; Q287-S289 PolarHBondContact O-N 3.47Å
288A31.3Very low35.8Very low96 Ų96136.9 Ų136.979%0.79376%0.763SS**  trans-65.976161.500000108.3Q286Q286-A288 VanDerWaalsContact C-N 3.31Å; Q286-A288 PolarHBondContact O-N 3.42Å
289S30.9Very low34.9Very low95 Ų95140.9 Ų140.966%0.66478%0.782SS**  trans-83.3108159.761.60000107.1Q287 E291Q287-S289 PolarHBondContact O-N 3.47Å; S289-E291 PolarHBondContact O-N 2.84Å; S289-E291 VanDerWaalsContact O-N 3.14Å
290N32Very low33.9Very low151 Ų151144 Ų14481%0.80779%0.79SS**  trans-55.3113.9162.5-66.2-36.1000108.1
291E32.2Very low33.7Very low191 Ų191142.2 Ų142.289%0.89379%0.792SS**  trans152.8124.2145.7-85.5167.3-174.100110.8S289S289-E291 PolarHBondContact O-N 2.84Å; S289-E291 VanDerWaalsContact O-N 3.14Å
292G30.1Very low33.2Very low77 Ų77149.4 Ų149.479%0.79480%0.798SS**  trans101.393.115200000117.3
293Q29.3Very low32.8Very low192 Ų192146.6 Ų146.690%0.89780%0.798SS**  trans-15.5127.6150.9-66164.2-49.700116.3
294V34.7Very low32.5Very low148 Ų148146.8 Ų146.890%0.89780%0.795SS**  -156.8130.6120.2176.90000108.1
295A28.9Very low32.4Very low84 Ų84143.6 Ų143.669%0.69480%0.798SS**  trans-75.1145.6-178.700000113.1
296L34Very low32.5Very low164 Ų164142.5 Ų142.586%0.85980%0.801SS**  trans-155.4110.2137-129.7120.1000111.5
297E35.2Very low32.5Very low182 Ų182142 Ų14285%0.8580%0.798SS**  trans56128.1150.7-59.8-160.8157.100124
298E31Very low32.9Very low188 Ų188142.5 Ų142.588%0.87981%0.805SS**  trans-56.3124.9176.8-69.3164.3138.700114.2
299V33.6Very low33.1Very low134 Ų134146.7 Ų146.781%0.81281%0.808SS**  trans-125.2102.8144.41800000108.4T301V299-T301 PolarHBondContact O-N 3.23Å
300D30.2Very low33.4Very low128 Ų128146 Ų14668%0.68481%0.809SS**  trans-69.3100.8-176.1-149.11.1000110.3
301T38.9Very low33.5Very low126 Ų126148 Ų14877%0.77382%0.816SS**  trans-131.974.1161.649.30000110.5V299 L303V299-T301 PolarHBondContact O-N 3.23Å; T301-L303 PolarHBondContact O-N 3.16Å
302R28.9Very low33.5Very low222 Ų222142.3 Ų142.384%0.83881%0.808SS**  trans-50102.4159.9-67.9172162.5-167.3-6.1110.5
303L31.3Very low33.9Very low157 Ų157145.2 Ų145.282%0.82281%0.81SS**  trans-158.7122156.3-101.3160.6000110.8T301T301-L303 PolarHBondContact O-N 3.16Å
304N35.3Very low34.4Very low124 Ų124145 Ų14566%0.66381%0.81SS**  trans88.947.1165.4-58.7-18.5000120.1A306N304-A306 PolarHBondContact O-N 3.48Å
305A36.1Very low34.6Very low107 Ų107143.5 Ų143.588%0.88480%0.802SS**THydrogen-bonded Turntrans-745.5150.500000113.6
306A35.7Very low34.9Very low90 Ų90150.7 Ų150.774%0.74481%0.812SS**THydrogen-bonded Turntrans-104.53.6-173.100000115.2N304N304-A306 PolarHBondContact O-N 3.48Å
307H33.3Very low35.4Very low161 Ų161150.5 Ų150.575%0.74581%0.811SS**SBendtrans-105.51.5-176.2-145.9-33.3000114.7
308L37.2Very low35.4Very low175 Ų175151.8 Ų151.892%0.91681%0.814SS**SBendtrans-118.416.2-172.5-113.4140.9000114.7
309E37.3Very low35.7Very low184 Ų184146.7 Ų146.786%0.8680%0.804SS**SBendtrans-112.46.5177.5-119-179.4177.800114
310A36.1Very low35.8Very low82 Ų82146.6 Ų146.668%0.67880%0.804SS**SBendtrans-104.512.4-168.500000116.4
311M33.8Very low36.1Very low193 Ų193145.2 Ų145.295%0.95180%0.804SS**SBendtrans-125.316.6-175.3-68.4-74.4-80.600114.7
312G32.1Very low36.1Very low70 Ų70146.2 Ų146.272%0.72281%0.81SS**  trans-122.564.5-178.300000113.6
313T39.1Very low36.6Very low138 Ų138138.8 Ų138.885%0.84780%0.802SS**  trans-138.694.1166.648.90000111.5
314E39Very low36.9Very low189 Ų189138.6 Ų138.688%0.88380%0.802SS**  trans-68132.7168.9-136.1-170.6-177.400110.5R316E314-R316 PolarHBondContact O-N 2.8Å
315P40.4Very low37Very low115 Ų115137.7 Ų137.775%0.74781%0.806SS**  trans-88.1105.9170.131-26.9000110.6N317P315-N317 PolarHBondContact O-N 3.09Å
316R34.6Very low37.5Very low236 Ų236138.4 Ų138.489%0.89180%0.799SS**  trans-52.6128.9163.5-88.5177.4160.9167.6-4111.1E314E314-R316 PolarHBondContact O-N 2.8Å
317N44Very low37.7Very low159 Ų159140 Ų14085%0.8580%0.802SS**  trans-135.5129.5154.3-80.1-41.8000111.5P315P315-N317 PolarHBondContact O-N 3.09Å
318K35.7Very low38.4Very low209 Ų209140.5 Ų140.591%0.90980%0.802SS**  trans-43.3157.6168.9-74.7165.8163.4171.70112
319A37.9Very low38.8Very low81 Ų81139.6 Ų139.667%0.66979%0.793SS**  cis-172.5157.142.800000110.9
320T34.9Very low38.9Very low133 Ų133138.7 Ų138.782%0.81679%0.794SS**  trans40.9134.2140.536.20000119.4
321S36.8Very low39.4Very low98 Ų98143.9 Ų143.969%0.68580%0.801SS**  cis178.3152.92952.70000109.4
322V39.4Very low39.8Very low148 Ų148144.7 Ų144.790%0.89780%0.799SS**  trans68.6128.5142.1176.40000118.6
323G37.4Very low40.7Very low65 Ų65146.6 Ų146.667%0.6780%0.802SS**  trans133.180.1139.900000116.7
324D38.6Very low40.6Very low153 Ų153145.2 Ų145.282%0.81880%0.804SS**  trans27.3116.7133.8-69.7-27000121.1
325S38.3Very low40.8Very low105 Ų105140.4 Ų140.473%0.73480%0.797SS**  39.6110.5129.768.30000120.3
326V45.5Very low41.1Very low122 Ų122140.7 Ų140.774%0.73980%0.799SS**  trans-147.5123.4141.7-177.60000109.1K328V326-K328 HydrophobicContact CG1-CD 4.39Å; V326-K328 HydrophobicContact CG1-CG 4.1Å
327P39.4Very low41.6Very low124 Ų124139.5 Ų139.581%0.80580%0.8SS**  trans-100.1118.9167.633.6-23.1000109.9
328K49Very low41.7Very low172 Ų172140.3 Ų140.375%0.74880%0.796SS**  trans-154.2145.2169.7-73.3-172.8179.5-178.10107.6V326V326-K328 HydrophobicContact CG1-CD 4.39Å; V326-K328 HydrophobicContact CG1-CG 4.1Å
329E45.7Very low42.2Very low156 Ų156139.5 Ų139.573%0.72980%0.796SS**  cis-165.1147.4-12.3-114.8174.5-174.800103.2F331E329-F331 PolarHBondContact O-N 3.33Å
330N38.3Very low42.7Very low164 Ų164142.5 Ų142.588%0.87780%0.796SS**  trans-59.6118.7-179.9-69.5-55.7000112.3
331F47.6Very low43.2Very low192 Ų192142.3 Ų142.384%0.84279%0.789SS**  trans-106.8103.1157.5-93-87.2000110.1E329 S333E329-F331 PolarHBondContact O-N 3.33Å; F331-S333 PolarHBondContact O-N 3.47Å
332K41.9Very low43.6Very low209 Ų209145.8 Ų145.891%0.90980%0.797SS**  trans-67.4119.1162.1-77.7172.7173.3174.50108.4
333S50.2Low44.3Very low111 Ų111147.8 Ų147.878%0.77679%0.794SS**  trans-136.6117.6157.944.50000109F331F331-S333 PolarHBondContact O-N 3.47Å
334A37.8Very low45.1Very low108 Ų108155.3 Ų155.389%0.89380%0.802SS**  trans-65.9127.3-174.200000112
335A42.9Very low45.5Very low89 Ų89156.3 Ų156.374%0.73680%0.799SS**  trans-106.9126.6164.200000108.7K337A335-K337 PolarHBondContact O-N 2.85Å
336P46.3Very low46.2Very low120 Ų120162.2 Ų162.278%0.77981%0.805SS**  trans-73.2122.1-179.329.2-31.2000110K338P336-K338 PolarHBondContact O-N 3.32Å
337K45.6Very low46.9Very low211 Ų211162.6 Ų162.692%0.91780%0.799SS**  trans-70.394.4167.9-68.6-179.3178-179.90108.5A335 E339A335-K337 PolarHBondContact O-N 2.85Å; K337-E339 PolarHBondContact O-N 3.34Å
338K47Very low47.9Very low177 Ų177162.7 Ų162.777%0.7779%0.789SS**  trans-89.296.4165.8-90.7-166174-168.10109.6P336 E340P336-K338 PolarHBondContact O-N 3.32Å; K338-E340 PolarHBondContact O-N 3.48Å
339E45.2Very low48.6Very low192 Ų192162.5 Ų162.590%0.89779%0.79SS**  trans-70.586.6162.8-169.9169.4-157.800108.2K337K337-E339 PolarHBondContact O-N 3.34Å
340E47.8Very low49.8Very low144 Ų144158.2 Ų158.267%0.67378%0.778SS**  trans-161135.5174.8-128.5176172.200108.9K338K338-E340 PolarHBondContact O-N 3.48Å
341N46.9Very low51.6Low128 Ų128154 Ų15468%0.68475%0.754SS**  trans10729.9167.1-51.6-43.4000120.5K343N341-K343 PolarHBondContact O-N 3.28Å; N341-K343 VanDerWaalsContact O-N 3.17Å
342M44.5Very low53Low172 Ų172148.3 Ų148.385%0.84773%0.733SS**  trans-82.539.2160.6-114.5-170.163.300113.7R344M342-R344 VanDerWaalsContact C-N 3.27Å
343K53.5Low54.8Low189 Ų189142.1 Ų142.182%0.82272%0.716SS**  trans-87.213.5168.5-80-177.5179174.70113.2N341 F345N341-K343 PolarHBondContact O-N 3.28Å; N341-K343 VanDerWaalsContact O-N 3.17Å; K343-F345 VanDerWaalsContact C-N 3.26Å; K343-F345 PolarHBondContact O-N 3.39Å
344R54.4Low56.2Low224 Ų224142.5 Ų142.585%0.84571%0.709SS**THydrogen-bonded Turntrans-75.31.8-174.6-73.8-171.7177.5-169.2-0.7116M342M342-R344 VanDerWaalsContact C-N 3.27Å
345F48.5Very low58.3Low174 Ų174145.4 Ų145.476%0.76370%0.696SS**THydrogen-bonded Turntrans-103.26.3-175.2-85.7-81.4000116.2K343K343-F345 VanDerWaalsContact C-N 3.26Å; K343-F345 PolarHBondContact O-N 3.39Å
346R52.5Low60.4Low228 Ų228148.5 Ų148.586%0.8669%0.693SS**SBendtrans-93.44.7179.4-69.2-165.3-177.3-165.40.8115.8
347H60.1Low62.1Low131 Ų131145.8 Ų145.861%0.60668%0.677SS**SBendtrans-103.3-8.7-176.5-83.5-53.6000115.7S350 I351H347-S350 PolarHBondContact O-N 2.95Å; H347-I351 WeakPolarHBondContact O-CG1 3.47Å; H347-I351 PolarHBondContact O-N 3.26Å
348Q59.5Low64Low126 Ų126143.2 Ų143.259%0.58966%0.662SS**Hα-helixtrans-65-46.1-177.4-153.476.67.600111.7S350 I351 D352Q348-S350 VanDerWaalsContact C-N 3.26Å; Q348-S350 PolarHBondContact O-N 3.39Å; Q348-I351 PolarHBondContact O-N 3.38Å; Q348-I351 VanDerWaalsContact O-N 3.15Å; Q348-D352 PolarHBondContact O-N 2.93Å
349E63.6Low65.7Low168 Ų168137.3 Ų137.379%0.78565%0.646SS**Hα-helixtrans-63.9-32.1176.9-64.4178.2173.400112.5S353E349-S353 VanDerWaalsContact O-CB 3.27Å; E349-S353 WeakPolarHBondContact O-CB 3.17Å; E349-S353 PolarHBondContact O-N 3.09Å
350S72.6Confident67.6Low66 Ų66133.3 Ų133.346%0.46263%0.631SS.*Hα-helixtrans-69.3-37.5175.3174.70000112H347 Q348 L354H347-S350 PolarHBondContact O-N 2.95Å; Q348-S350 VanDerWaalsContact C-N 3.26Å; Q348-S350 PolarHBondContact O-N 3.39Å; S350-L354 WeakPolarHBondContact O-CB 3.5Å; S350-L354 PolarHBondContact O-N 2.83Å
351I75.2Confident69.3Low75 Ų75131.2 Ų131.239%0.38562%0.621SS.*Hα-helixtrans-69.9-41.9176.9-67.4165.5000110.5H347 Q348 L354 R355H347-I351 WeakPolarHBondContact O-CG1 3.47Å; H347-I351 PolarHBondContact O-N 3.26Å; Q348-I351 PolarHBondContact O-N 3.38Å; Q348-I351 VanDerWaalsContact O-N 3.15Å; I351-L354 PolarHBondContact O-N 3.12Å; I351-R355 WeakPolarHBondContact O-CG 3.23Å; I351-R355 PolarHBondContact O-N 3.49Å
352D77.4Confident70.9Confident72 Ų72128.9 Ų128.939%0.38561%0.606SS.*Hα-helixtrans-69.6-36.3178.7-69.8-27.6000112.2Q348 R355 K356Q348-D352 PolarHBondContact O-N 2.93Å; D352-R355 PolarHBondContact O-N 2.97Å; D352-K356 WeakPolarHBondContact O-CG 3.39Å; D352-K356 PolarHBondContact O-N 2.58Å
353S79.4Confident72.6Confident79 Ų79125.1 Ų125.155%0.55259%0.589SS**Hα-helixtrans-61.7-44.1170.7-173.90000111.6E349 R355 K356 S357E349-S353 VanDerWaalsContact O-CB 3.27Å; E349-S353 WeakPolarHBondContact O-CB 3.17Å; E349-S353 PolarHBondContact O-N 3.09Å; S353-R355 PolarHBondContact O-N 2.82Å; S353-K356 PolarHBondContact O-N 2.93Å; S353-S357 PolarHBondContact O-N 3.17Å; S353-S357 PolarHBondContact O-OG 3.3Å
354L78.9Confident73.9Confident120 Ų120119.6 Ų119.663%0.62857%0.571SS**Hα-helixtrans-64.8-38.1177.1-158.385.3000112.3S350 I351 S357 W358S350-L354 WeakPolarHBondContact O-CB 3.5Å; S350-L354 PolarHBondContact O-N 2.83Å; I351-L354 PolarHBondContact O-N 3.12Å; L354-S357 WeakPolarHBondContact CA-OG 3.32Å; L354-S357 PolarHBondContact O-N 3.14Å; L354-S357 PolarHBondContact O-OG 2.98Å; L354-W358 VanDerWaalsContact O-CB 3.29Å; L354-W358 WeakPolarHBondContact O-CB 3.4Å; L354-W358 PolarHBondContact O-N 3.18Å
355R83.4Confident74.9Confident169 Ų169115.2 Ų115.264%0.63856%0.558SS**Hα-helixtrans-64.5-43.2175.1-77.6176.4174.1-179.1-3.5111.5I351 D352 S353 W358 A359I351-R355 WeakPolarHBondContact O-CG 3.23Å; I351-R355 PolarHBondContact O-N 3.49Å; D352-R355 PolarHBondContact O-N 2.97Å; S353-R355 PolarHBondContact O-N 2.82Å; R355-W358 PolarHBondContact O-N 3.41Å; R355-A359 WeakPolarHBondContact O-CB 3.36Å; R355-A359 PolarHBondContact O-N 3.28Å
356K86.2Confident76.4Confident154 Ų154112.4 Ų112.467%0.6754%0.542SS*.Hα-helixtrans-65.5-42.4175.9-73.4178.1-178.8179.60112.1D352 S353 W358 A359 N360D352-K356 WeakPolarHBondContact O-CG 3.39Å; D352-K356 PolarHBondContact O-N 2.58Å; S353-K356 PolarHBondContact O-N 2.93Å; K356-W358 VanDerWaalsContact C-N 3.35Å; K356-A359 PolarHBondContact O-N 3.21Å; K356-N360 PolarHBondContact O-N 3.16Å; K356-N360 VanDerWaalsContact O-N 3.09Å
357S82.5Confident77.6Confident62 Ų62104.9 Ų104.943%0.43452%0.522SS..Hα-helixtrans-64.6-40.9177.269.10000111.6S353 L354 N360 E361S353-S357 PolarHBondContact O-N 3.17Å; S353-S357 PolarHBondContact O-OG 3.3Å; L354-S357 WeakPolarHBondContact CA-OG 3.32Å; L354-S357 PolarHBondContact O-N 3.14Å; L354-S357 PolarHBondContact O-OG 2.98Å; S357-N360 PolarHBondContact O-N 2.98Å; S357-E361 PolarHBondContact O-N 3.32Å
358W84.2Confident78.3Confident158 Ų158103.9 Ų103.960%0.59852%0.517SS*.Hα-helixtrans-66.6-39.8177.3-175.465.4000112.5L354 R355 K356 E361 Q362L354-W358 VanDerWaalsContact O-CB 3.29Å; L354-W358 WeakPolarHBondContact O-CB 3.4Å; L354-W358 PolarHBondContact O-N 3.18Å; R355-W358 PolarHBondContact O-N 3.41Å; K356-W358 VanDerWaalsContact C-N 3.35Å; W358-E361 PolarHBondContact O-N 3.44Å; W358-Q362 HydrophobicContact CD2-CG 4.34Å; W358-Q362 HydrophobicContact CZ2-CG 4.18Å; W358-Q362 WeakPolarHBondContact O-CG 3.42Å; W358-Q362 PolarHBondContact O-N 2.93Å
359A84.7Confident79.2Confident53 Ų53101.1 Ų101.144%0.43851%0.512SS..Hα-helixtrans-61.7-43.1174.400000112.2R355 K356 E361 Q362 L363R355-A359 WeakPolarHBondContact O-CB 3.36Å; R355-A359 PolarHBondContact O-N 3.28Å; K356-A359 PolarHBondContact O-N 3.21Å; A359-E361 VanDerWaalsContact C-N 3.35Å; A359-E361 PolarHBondContact O-N 3.3Å; A359-Q362 PolarHBondContact O-N 3.04Å; A359-L363 PolarHBondContact O-N 3.29Å
360N84.2Confident79.8Confident108 Ų108101.1 Ų101.158%0.57851%0.506SS*.Hα-helixtrans-64.6-37.7175-79.2-9.6000112.5K356 S357 L363 T364K356-N360 PolarHBondContact O-N 3.16Å; K356-N360 VanDerWaalsContact O-N 3.09Å; S357-N360 PolarHBondContact O-N 2.98Å; N360-L363 PolarHBondContact O-N 2.77Å; N360-T364 WeakPolarHBondContact O-CG2 3.46Å; N360-T364 PolarHBondContact O-N 3.38Å; N360-T364 PolarHBondContact O-OG1 2.93Å
361E82.9Confident80.1Confident100 Ų100103.3 Ų103.347%0.46751%0.51SS..Hα-helixtrans-65.7-41.9175.2-167.7174.8-172.800111.3S357 W358 A359 L363 T364 F365S357-E361 PolarHBondContact O-N 3.32Å; W358-E361 PolarHBondContact O-N 3.44Å; A359-E361 VanDerWaalsContact C-N 3.35Å; A359-E361 PolarHBondContact O-N 3.3Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3Å; E361-T364 WeakPolarHBondContact CA-OG1 3.49Å; E361-T364 PolarHBondContact O-N 2.82Å; E361-T364 PolarHBondContact O-OG1 3.26Å; E361-F365 HydrophobicContact CG-CD2 3.98Å; E361-F365 HydrophobicContact CG-CE2 4.02Å; E361-F365 WeakPolarHBondContact O-CD2 3.42Å; E361-F365 PolarHBondContact O-N 3.5Å
362Q80.6Confident80.2Confident79 Ų79106.7 Ų106.737%0.36952%0.524SS..Hα-helixtrans-63.4-39.3174.9-69.9-60.4-4800112.6W358 A359 F365 R366W358-Q362 HydrophobicContact CD2-CG 4.34Å; W358-Q362 HydrophobicContact CZ2-CG 4.18Å; W358-Q362 WeakPolarHBondContact O-CG 3.42Å; W358-Q362 PolarHBondContact O-N 2.93Å; A359-Q362 PolarHBondContact O-N 3.04Å; Q362-F365 PolarHBondContact O-N 2.94Å; Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3Å
363L80.7Confident80.2Confident93 Ų93107.1 Ų107.149%0.48753%0.53SS..Hα-helixtrans-65.4-41177.3-17364.8000112A359 N360 E361 R366 T367A359-L363 PolarHBondContact O-N 3.29Å; N360-L363 PolarHBondContact O-N 2.77Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3Å; L363-R366 PolarHBondContact O-N 2.85Å; L363-T367 WeakPolarHBondContact O-CG2 3.49Å; L363-T367 PolarHBondContact O-N 3.3Å; L363-T367 PolarHBondContact O-OG1 3.35Å
364T80.1Confident79.9Confident73 Ų73105.6 Ų105.645%0.44852%0.522SS..Hα-helixtrans-67.8-39.2175.646.70000112.2N360 E361 T367 H368N360-T364 WeakPolarHBondContact O-CG2 3.46Å; N360-T364 PolarHBondContact O-N 3.38Å; N360-T364 PolarHBondContact O-OG1 2.93Å; E361-T364 WeakPolarHBondContact CA-OG1 3.49Å; E361-T364 PolarHBondContact O-N 2.82Å; E361-T364 PolarHBondContact O-OG1 3.26Å; T364-T367 VanDerWaalsContact CA-OG1 3.31Å; T364-T367 WeakPolarHBondContact CA-OG1 3.44Å; T364-T367 PolarHBondContact O-OG1 3.29Å; T364-H368 WeakPolarHBondContact O-CB 3.35Å; T364-H368 PolarHBondContact O-CD2 3.37Å; T364-H368 PolarHBondContact O-N 3.37Å
365F76.9Confident79.8Confident132 Ų132104.7 Ų104.758%0.57952%0.517SS*.Hα-helixtrans-62.5-43.5172.6-95.7-78.7000112.7E361 Q362 S369E361-F365 HydrophobicContact CG-CD2 3.98Å; E361-F365 HydrophobicContact CG-CE2 4.02Å; E361-F365 WeakPolarHBondContact O-CD2 3.42Å; E361-F365 PolarHBondContact O-N 3.5Å; Q362-F365 PolarHBondContact O-N 2.94Å; F365-S369 WeakPolarHBondContact O-CB 3.46Å; F365-S369 PolarHBondContact O-N 3.48Å
366R79.4Confident79.4Confident115 Ų11599.4 Ų99.443%0.43451%0.509SS..Hα-helixtrans-63.3-49.2177.5-77.1-177.8-179.7-177.20.6111.7Q362 L363 H368 S369 Y370Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3Å; L363-R366 PolarHBondContact O-N 2.85Å; R366-H368 VanDerWaalsContact C-N 3.32Å; R366-H368 PolarHBondContact O-N 3.07Å; R366-S369 WeakPolarHBondContact O-CB 3.45Å; R366-S369 PolarHBondContact O-N 2.68Å; R366-S369 VanDerWaalsContact O-N 3.13Å; R366-Y370 HydrophobicContact CB-CD2 4.47Å; R366-Y370 HydrophobicContact CB-CE2 4.29Å; R366-Y370 WeakPolarHBondContact O-CD2 2.96Å; R366-Y370 PolarHBondContact O-N 2.84Å
367T76.8Confident78.8Confident69 Ų6995.6 Ų95.642%0.42350%0.501SS..Hα-helixtrans-60.2-40.7179.344.50000112.1L363 T364 Y370 M371L363-T367 WeakPolarHBondContact O-CG2 3.49Å; L363-T367 PolarHBondContact O-N 3.3Å; L363-T367 PolarHBondContact O-OG1 3.35Å; T364-T367 VanDerWaalsContact CA-OG1 3.31Å; T364-T367 WeakPolarHBondContact CA-OG1 3.44Å; T364-T367 PolarHBondContact O-OG1 3.29Å; T367-Y370 PolarHBondContact O-N 3.29Å; T367-M371 WeakPolarHBondContact O-CG 3.38Å; T367-M371 PolarHBondContact O-N 3.01Å
368H74.9Confident78.5Confident110 Ų11099.3 Ų99.351%0.50951%0.512SS..Hα-helixtrans-64.1-43.1172.4-91.7-75.8000113.1T364 R366 Y370 M371 E372T364-H368 WeakPolarHBondContact O-CB 3.35Å; T364-H368 PolarHBondContact O-CD2 3.37Å; T364-H368 PolarHBondContact O-N 3.37Å; R366-H368 VanDerWaalsContact C-N 3.32Å; R366-H368 PolarHBondContact O-N 3.07Å; H368-Y370 VanDerWaalsContact C-N 3.31Å; H368-Y370 PolarHBondContact O-N 2.99Å; H368-M371 PolarHBondContact O-N 2.68Å; H368-E372 PolarHBondContact O-N 2.87Å
369S78.1Confident78Confident68 Ų6895 Ų9548%0.47651%0.506SS..Hα-helixtrans-59.6-42.7176.3-173.10000111.5F365 R366 E372 T373F365-S369 WeakPolarHBondContact O-CB 3.46Å; F365-S369 PolarHBondContact O-N 3.48Å; R366-S369 WeakPolarHBondContact O-CB 3.45Å; R366-S369 PolarHBondContact O-N 2.68Å; R366-S369 VanDerWaalsContact O-N 3.13Å; S369-E372 PolarHBondContact O-N 3.44Å; S369-T373 WeakPolarHBondContact O-CG2 3.21Å; S369-T373 PolarHBondContact O-N 3.34Å; S369-T373 PolarHBondContact O-OG1 2.95Å; S369-T373 VanDerWaalsContact O-OG1 3.06Å
370Y76.9Confident77.9Confident168 Ų16899.4 Ų99.466%0.65952%0.515SS*.Hα-helixtrans-64.2-43176.4-75.5-64000111.9R366 T367 H368 T373 A374R366-Y370 HydrophobicContact CB-CD2 4.47Å; R366-Y370 HydrophobicContact CB-CE2 4.29Å; R366-Y370 WeakPolarHBondContact O-CD2 2.96Å; R366-Y370 PolarHBondContact O-N 2.84Å; T367-Y370 PolarHBondContact O-N 3.29Å; H368-Y370 VanDerWaalsContact C-N 3.31Å; H368-Y370 PolarHBondContact O-N 2.99Å; Y370-T373 WeakPolarHBondContact CA-OG1 3.22Å; Y370-T373 PolarHBondContact O-N 3.37Å; Y370-T373 PolarHBondContact O-OG1 3.08Å; Y370-A374 WeakPolarHBondContact O-CB 3.37Å; Y370-A374 PolarHBondContact O-N 3.49Å
371M78.4Confident77.7Confident113 Ų113101.1 Ų101.156%0.55752%0.518SS*.Hα-helixtrans-62.9-41.7175.6-76-17953.300112.6T367 H368 A374 I375T367-M371 WeakPolarHBondContact O-CG 3.38Å; T367-M371 PolarHBondContact O-N 3.01Å; H368-M371 PolarHBondContact O-N 2.68Å; M371-A374 PolarHBondContact O-N 3.02Å; M371-I375 VanDerWaalsContact O-CG1 3.28Å; M371-I375 WeakPolarHBondContact O-CG1 3.34Å; M371-I375 PolarHBondContact O-N 3.05Å
372E76.9Confident77.3Confident146 Ų146103 Ų10368%0.68253%0.525SS*.Hα-helixtrans-66.5-40.3178.8-167.8171.8-173.800111.2H368 S369 A374 I375 A376H368-E372 PolarHBondContact O-N 2.87Å; S369-E372 PolarHBondContact O-N 3.44Å; E372-A374 VanDerWaalsContact C-N 3.34Å; E372-A374 PolarHBondContact O-N 3.35Å; E372-I375 PolarHBondContact O-N 2.83Å; E372-A376 VanDerWaalsContact O-CB 3.31Å; E372-A376 WeakPolarHBondContact O-CB 3.43Å; E372-A376 PolarHBondContact O-N 3.44Å
373T77.3Confident76.9Confident81 Ų81101.8 Ų101.850%0.49753%0.528SS..Hα-helixtrans-65.7-35.4173.451.50000112.8S369 Y370 S377S369-T373 WeakPolarHBondContact O-CG2 3.21Å; S369-T373 PolarHBondContact O-N 3.34Å; S369-T373 PolarHBondContact O-OG1 2.95Å; S369-T373 VanDerWaalsContact O-OG1 3.06Å; Y370-T373 WeakPolarHBondContact CA-OG1 3.22Å; Y370-T373 PolarHBondContact O-N 3.37Å; Y370-T373 PolarHBondContact O-OG1 3.08Å; T373-S377 WeakPolarHBondContact O-CB 3.24Å; T373-S377 PolarHBondContact O-N 3.45Å; T373-S377 PolarHBondContact O-OG 2.73Å
374A73.1Confident76.6Confident47 Ų47103.1 Ų103.139%0.38853%0.534SS..Hα-helixtrans-69.3-42.4176.300000111.9Y370 M371 E372 A376 S377 E378Y370-A374 WeakPolarHBondContact O-CB 3.37Å; Y370-A374 PolarHBondContact O-N 3.49Å; M371-A374 PolarHBondContact O-N 3.02Å; E372-A374 VanDerWaalsContact C-N 3.34Å; E372-A374 PolarHBondContact O-N 3.35Å; A374-A376 VanDerWaalsContact C-N 3.33Å; A374-A376 PolarHBondContact O-N 3.1Å; A374-S377 PolarHBondContact O-N 2.93Å; A374-S377 PolarHBondContact O-OG 3.19Å; A374-E378 WeakPolarHBondContact O-CB 3.38Å; A374-E378 PolarHBondContact O-N 3.27Å
375I76.9Confident76.3Confident101 Ų101105.5 Ų105.552%0.51854%0.539SS..Hα-helixtrans-65.1-40.2175.3-66.7164.9000110.5M371 E372 S379M371-I375 VanDerWaalsContact O-CG1 3.28Å; M371-I375 WeakPolarHBondContact O-CG1 3.34Å; M371-I375 PolarHBondContact O-N 3.05Å; E372-I375 PolarHBondContact O-N 2.83Å; I375-S379 VanDerWaalsContact O-CB 3.27Å; I375-S379 WeakPolarHBondContact O-CB 3.45Å; I375-S379 PolarHBondContact O-N 3.46Å; I375-S379 PolarHBondContact O-OG 3.33Å
376A76.4Confident76Confident58 Ų58102.1 Ų102.148%0.47953%0.53SS..Hα-helixtrans-66.1-39.4177.300000112.3E372 A374 K380E372-A376 VanDerWaalsContact O-CB 3.31Å; E372-A376 WeakPolarHBondContact O-CB 3.43Å; E372-A376 PolarHBondContact O-N 3.44Å; A374-A376 VanDerWaalsContact C-N 3.33Å; A374-A376 PolarHBondContact O-N 3.1Å; A376-K380 WeakPolarHBondContact O-CB 3.19Å; A376-K380 PolarHBondContact O-N 3.19Å
377S73.9Confident75.2Confident73 Ų7399.8 Ų99.851%0.5154%0.535SS..Hα-helixtrans-70.5-40.9177.365.30000112.1T373 A374 K380 K381T373-S377 WeakPolarHBondContact O-CB 3.24Å; T373-S377 PolarHBondContact O-N 3.45Å; T373-S377 PolarHBondContact O-OG 2.73Å; A374-S377 PolarHBondContact O-N 2.93Å; A374-S377 PolarHBondContact O-OG 3.19Å; S377-K380 PolarHBondContact O-N 3.14Å; S377-K381 WeakPolarHBondContact O-CB 3.47Å; S377-K381 PolarHBondContact O-N 2.81Å
378E74.9Confident74.5Confident140 Ų140102.6 Ų102.665%0.65455%0.552SS**Hα-helixtrans-63.5-42172.9-78.1-172.2165.900112A374 K380 K381 F382A374-E378 WeakPolarHBondContact O-CB 3.38Å; A374-E378 PolarHBondContact O-N 3.27Å; E378-K380 VanDerWaalsContact C-N 3.34Å; E378-K380 PolarHBondContact O-N 3.41Å; E378-K381 PolarHBondContact O-N 3.15Å; E378-F382 WeakPolarHBondContact O-CB 3.42Å; E378-F382 PolarHBondContact O-N 3.23Å
379S75Confident73.5Confident69 Ų69105.1 Ų105.148%0.48356%0.564SS.*Hα-helixtrans-64.1-39.3177-59.50000111.8I375 F382 A383I375-S379 VanDerWaalsContact O-CB 3.27Å; I375-S379 WeakPolarHBondContact O-CB 3.45Å; I375-S379 PolarHBondContact O-N 3.46Å; I375-S379 PolarHBondContact O-OG 3.33Å; S379-F382 PolarHBondContact O-N 3.12Å; S379-A383 WeakPolarHBondContact O-CB 3.47Å; S379-A383 PolarHBondContact O-N 3Å
380K82Confident72.2Confident144 Ų144108.1 Ų108.163%0.62657%0.569SS**Hα-helixtrans-66.4-41.5174.9-172.3178.5179.4-174.70111.4A376 S377 E378 A383 M384A376-K380 WeakPolarHBondContact O-CB 3.19Å; A376-K380 PolarHBondContact O-N 3.19Å; S377-K380 PolarHBondContact O-N 3.14Å; E378-K380 VanDerWaalsContact C-N 3.34Å; E378-K380 PolarHBondContact O-N 3.41Å; K380-A383 PolarHBondContact O-N 2.66Å; K380-M384 HydrophobicContact CG-SD 4.44Å; K380-M384 WeakPolarHBondContact O-CG 3.34Å; K380-M384 PolarHBondContact O-N 3.44Å
381K80.3Confident70.9Confident145 Ų145105.6 Ų105.663%0.6357%0.573SS**Hα-helixtrans-60.9-45.9175.3-173.3-178.4175.1-173.50111.2S377 E378 A383 M384 E385S377-K381 WeakPolarHBondContact O-CB 3.47Å; S377-K381 PolarHBondContact O-N 2.81Å; E378-K381 PolarHBondContact O-N 3.15Å; K381-A383 PolarHBondContact O-N 3.28Å; K381-M384 PolarHBondContact O-N 3.36Å; K381-E385 WeakPolarHBondContact O-CB 3.01Å; K381-E385 PolarHBondContact O-N 3.35Å
382F74.2Confident69.4Low139 Ų139108.7 Ų108.761%0.6159%0.586SS**Hα-helixtrans-62.7-40.3176.7-175.3-99.3000112.6E378 S379 M384 E385 T386E378-F382 WeakPolarHBondContact O-CB 3.42Å; E378-F382 PolarHBondContact O-N 3.23Å; S379-F382 PolarHBondContact O-N 3.12Å; F382-M384 VanDerWaalsContact C-N 3.35Å; F382-E385 PolarHBondContact O-N 3.25Å; F382-T386 HydrophobicContact CD1-CG2 4.31Å; F382-T386 HydrophobicContact CE1-CG2 3.89Å; F382-T386 HydrophobicContact CE2-CG2 4.25Å; F382-T386 HydrophobicContact CZ-CG2 3.86Å; F382-T386 WeakPolarHBondContact O-CB 3.23Å; F382-T386 WeakPolarHBondContact O-CG2 3.35Å; F382-T386 PolarHBondContact O-N 3.05Å; F382-T386 PolarHBondContact O-OG1 3.15Å
383A72.3Confident67.9Low54 Ų54107 Ų10745%0.44659%0.59SS.*Hα-helixtrans-64.9-37.3174.800000112.5S379 K380 K381 T386 A387S379-A383 WeakPolarHBondContact O-CB 3.47Å; S379-A383 PolarHBondContact O-N 3Å; K380-A383 PolarHBondContact O-N 2.66Å; K381-A383 PolarHBondContact O-N 3.28Å; A383-T386 WeakPolarHBondContact CA-OG1 3.26Å; A383-T386 PolarHBondContact O-OG1 3.27Å; A383-A387 VanDerWaalsContact O-CB 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.44Å; A383-A387 PolarHBondContact O-N 3.23Å; A383-A387 VanDerWaalsContact O-N 3.1Å
384M74.4Confident66.4Low121 Ų121108.7 Ų108.760%0.59660%0.6SS**Hα-helixtrans-70.3-40.8174.8-71.9179.86700111.9K380 K381 F382 A387 V388K380-M384 HydrophobicContact CG-SD 4.44Å; K380-M384 WeakPolarHBondContact O-CG 3.34Å; K380-M384 PolarHBondContact O-N 3.44Å; K381-M384 PolarHBondContact O-N 3.36Å; F382-M384 VanDerWaalsContact C-N 3.35Å; M384-A387 PolarHBondContact O-N 3.06Å; M384-V388 WeakPolarHBondContact O-CG2 3.49Å; M384-V388 PolarHBondContact O-N 3.16Å; M384-V388 VanDerWaalsContact O-N 3.12Å
385E74Confident65Low122 Ų122115.8 Ų115.857%0.5763%0.627SS**Hα-helixtrans-64.3-42.9178.3-166.1165.1-169.700111.4K381 F382 A387 V388 E389K381-E385 WeakPolarHBondContact O-CB 3.01Å; K381-E385 PolarHBondContact O-N 3.35Å; F382-E385 PolarHBondContact O-N 3.25Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-A387 PolarHBondContact O-N 3.48Å; E385-V388 PolarHBondContact O-N 3.36Å; E385-E389 PolarHBondContact O-N 3.17Å
386T69Low63.3Low61 Ų61115.1 Ų115.137%0.37464%0.637SS.*Hα-helixtrans-71-24.4175.1510000114.1F382 A383F382-T386 HydrophobicContact CD1-CG2 4.31Å; F382-T386 HydrophobicContact CE1-CG2 3.89Å; F382-T386 HydrophobicContact CE2-CG2 4.25Å; F382-T386 HydrophobicContact CZ-CG2 3.86Å; F382-T386 WeakPolarHBondContact O-CB 3.23Å; F382-T386 WeakPolarHBondContact O-CG2 3.35Å; F382-T386 PolarHBondContact O-N 3.05Å; F382-T386 PolarHBondContact O-OG1 3.15Å; A383-T386 WeakPolarHBondContact CA-OG1 3.26Å; A383-T386 PolarHBondContact O-OG1 3.27Å
387A62.9Low61.8Low67 Ų67119.2 Ų119.255%0.55466%0.657SS**Hα-helixtrans-76.5-29.6173.700000112.9A383 M384 E385A383-A387 VanDerWaalsContact O-CB 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.44Å; A383-A387 PolarHBondContact O-N 3.23Å; A383-A387 VanDerWaalsContact O-N 3.1Å; M384-A387 PolarHBondContact O-N 3.06Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-A387 PolarHBondContact O-N 3.48Å
388V62.1Low60.1Low127 Ų127120.2 Ų120.277%0.7767%0.669SS**Hα-helixtrans-74.4-31.6175.3173.30000111.4M384 E385M384-V388 WeakPolarHBondContact O-CG2 3.49Å; M384-V388 PolarHBondContact O-N 3.16Å; M384-V388 VanDerWaalsContact O-N 3.12Å; E385-V388 PolarHBondContact O-N 3.36Å
389E55.3Low58.4Low163 Ų163121.5 Ų121.576%0.76268%0.679SS**Hα-helixtrans-79.9-15.3-176.7-144.6170.4-157.900113.8E385E385-E389 PolarHBondContact O-N 3.17Å
390K50.8Low56.9Low132 Ų132127.9 Ų127.957%0.57470%0.701SS**SBendtrans-114.995.9171.5-73.3-176.9178.8177.80110.4Q392K390-Q392 PolarHBondContact O-N 3.38Å
391P49.1Very low55Low115 Ų115127.8 Ų127.875%0.74771%0.708SS**  trans-59.6112.5162.125.7-30.3000106.4S393P391-S393 VanDerWaalsContact C-N 3.29Å; P391-S393 PolarHBondContact O-N 3.02Å
392Q47.5Very low53.3Low177 Ų177126.3 Ų126.383%0.82771%0.713SS**  trans-55.999.2172.1-80.6-173.5-31.500108.2K390 V394K390-Q392 PolarHBondContact O-N 3.38Å; Q392-V394 HydrophobicContact CB-CG2 4.29Å; Q392-V394 PolarHBondContact O-N 3.44Å
393S44.2Very low52Low111 Ų111126.9 Ų126.978%0.77672%0.722SS**  trans-7166.7164.566.60000108.2P391P391-S393 VanDerWaalsContact C-N 3.29Å; P391-S393 PolarHBondContact O-N 3.02Å
394V45.7Very low50.4Low117 Ų117131.5 Ų131.571%0.70974%0.739SS**  trans-128.965.5176.1-171.70000107Q392Q392-V394 HydrophobicContact CB-CG2 4.29Å; Q392-V394 PolarHBondContact O-N 3.44Å
395M43.6Very low49Very low195 Ų195134.8 Ų134.896%0.96175%0.75SS**SBendtrans-170.732.9165-97.2-94.7-96.900111.9
396A40.9Very low47.7Very low88 Ų88134.7 Ų134.773%0.72776%0.758SS**SBendtrans-120.94.2-175.800000115.8
397T45.1Very low46.4Very low144 Ų144139.9 Ų139.988%0.88378%0.783SS**SBendtrans-13759.8-175.940.40000112.6
398A39.6Very low45.4Very low93 Ų93145.4 Ų145.477%0.76979%0.794SS**SBendtrans-164.561.916300000111.2
399L39.4Very low44.3Very low167 Ų167150.9 Ų150.987%0.87480%0.802SS**  trans-170.370162.6-101.3151.8000108.6
400H42Very low43.6Very low203 Ų203147.2 Ų147.294%0.9480%0.799SS**  trans-113.973.9166.2-132.949.5000107.6
401D43.7Very low43Very low142 Ų142149.6 Ų149.676%0.75981%0.814SS**  trans-111.4110.1171.2-130.9-13.4000107N403D401-N403 VanDerWaalsContact C-N 3.34Å; D401-N403 PolarHBondContact O-N 3.47Å
402P44.4Very low42.4Very low114 Ų114150 Ų15074%0.7482%0.82SS**  trans-85.280.7-178.933.7-30.4000108.6
403N45.8Very low42Very low152 Ų152148 Ų14881%0.81382%0.82SS**  trans-124.394.5166.4-139.8-24.3000111.5D401 K405D401-N403 VanDerWaalsContact C-N 3.34Å; D401-N403 PolarHBondContact O-N 3.47Å; N403-K405 PolarHBondContact O-N 3.44Å
404L38.1Very low41.7Very low151 Ų151147.9 Ų147.979%0.79183%0.826SS**  trans-66.4111.2173-73.9101.2000110.2
405K45.9Very low41.2Very low190 Ų190146.9 Ų146.983%0.82683%0.83SS**  trans174.1131.6131.9-94.4155.1-172.7179.20109.4N403N403-K405 PolarHBondContact O-N 3.44Å
406T45.7Very low41Very low120 Ų120144.9 Ų144.974%0.73682%0.818SS**  trans64.794.7162.8650000117.3
407N43.3Very low41Very low169 Ų169150.6 Ų150.690%0.90482%0.821SS**  -176.6128.1112.8-87.9-24.6000111.6
408K41.7Very low40.5Very low183 Ų183149.4 Ų149.480%0.79682%0.818SS**  trans-87.7163.1176.3-77.8179.6170.9-1780110
409W38.5Very low40.3Very low243 Ų243149.9 Ų149.992%0.9282%0.823SS**  trans90.1131.9161.7-57.283000115.5
410A39.9Very low40.1Very low86 Ų86150.6 Ų150.671%0.71182%0.824SS**  cis-175.2115.1-28.300000102.9
411M38.7Very low39.9Very low181 Ų181148 Ų14889%0.89282%0.821SS**  trans-99.2116.6166.4-80.1-143.6-6900108.2
412S36.7Very low39.6Very low125 Ų125147.5 Ų147.587%0.87482%0.824SS**  trans-100.5103.6163.9-79.10000108.3
413T39.6Very low39.2Very low134 Ų134146.6 Ų146.682%0.82283%0.826SS**  trans-118.6111.1156.932.50000107.1
414A37.9Very low38.8Very low108 Ų108143.7 Ų143.789%0.89382%0.823SS**  trans-109.4108.1167.800000107.5
415A35.4Very low38.9Very low96 Ų96145.9 Ų145.979%0.79383%0.829SS**  trans-89.7133.1157.400000107.5
416E39.4Very low38.4Very low153 Ų153140.9 Ų140.972%0.71583%0.831SS**  trans-163.2114.8142.9-111.1-169.5145.800111.9
417R39.4Very low38.1Very low208 Ų208139.1 Ų139.179%0.78584%0.838SS**  64.3113.8128.1-71.5176172163.4-11120.8
418S35Very low37.7Very low119 Ų119134.9 Ų134.983%0.83283%0.833SS**  50.2112.5122.6-58.50000119.3
419A35.4Very low37.5Very low104 Ų104134.9 Ų134.986%0.8684%0.838SS**  171.9133.8103.900000111.3
420M35.5Very low37.5Very low182 Ų182129.9 Ų129.990%0.89784%0.835SS**  trans-53.5137.1168.3-66.2165.314500112.4
421V38.6Very low37.4Very low147 Ų147132.1 Ų132.189%0.89184%0.839SS**  trans-152120.1133.1178.20000109.1
422T35.8Very low37.5Very low133 Ų133128 Ų12882%0.81683%0.834SS**  trans-79137.6169.8-11.80000111.1
423A37.8Very low37.5Very low94 Ų94126.6 Ų126.678%0.77783%0.83SS**  trans166.7108.5146.600000107.6
424A37Very low37.4Very low91 Ų91128.8 Ų128.875%0.75283%0.831SS**  97.5127.874.200000112.1
425E38.7Very low37.4Very low197 Ų197130.1 Ų130.192%0.92183%0.828SS**  trans79123153.3-70.9-175.8145.800122.5
426G37.5Very low37.5Very low85 Ų85129.3 Ų129.388%0.87683%0.83SS**  trans90115.8145.500000113.9
427G37.4Very low37.3Very low84 Ų84130.4 Ų130.487%0.86684%0.837SS**  cis128.2141.528.700000107.5
428G35.6Very low37.4Very low79 Ų79129.7 Ų129.781%0.81485%0.845SS**  trans114101.2158.500000116.9
429M38Very low37.4Very low183 Ų183130.2 Ų130.290%0.90184%0.843SS**  trans-38.7158.6161.5-60.8169-79.400115.9
430V38.6Very low37.5Very low139 Ų139129.4 Ų129.484%0.84284%0.836SS**  -178.8135.1111.6157.70000111.2
431T38.4Very low37.6Very low132 Ų132125.1 Ų125.181%0.8183%0.83SS**  trans-77.2147.517441.40000114.9
432A39.8Very low37.5Very low94 Ų94127 Ų12778%0.77783%0.829SS**  trans-172.9114.7143.300000107.4
433A36.5Very low37.5Very low96 Ų96124.7 Ų124.779%0.79383%0.831SS**  67.3113.571.600000114.3
434E38.4Very low37.4Very low181 Ų181123.6 Ų123.685%0.84683%0.829SS**  trans150.2100.5144.3-88.1-169.9151.500110.5
435T37Very low37.4Very low135 Ų135127.8 Ų127.883%0.82884%0.835SS**  64.3118.695.3540000115.6
436G37.2Very low37.3Very low80 Ų80124.1 Ų124.183%0.82583%0.827SS**  trans-177.2100.3165.700000112.4
437M36.8Very low37.4Very low176 Ų176126.7 Ų126.787%0.86783%0.825SS**  trans-64.1155.3-177-53.7-163.1-72.300114.2
438M39.7Very low37.3Very low192 Ų192126.6 Ų126.695%0.94682%0.816SS**  -176.3153120.4-87-121.1178.300112.6
439T36.4Very low37.2Very low131 Ų131129 Ų12980%0.80482%0.816SS**  trans-110.8170.5-151.6-47.50000111.8
440A37.5Very low37.2Very low86 Ų86128.2 Ų128.271%0.71181%0.81SS**  trans94.3110.7148.900000116.4
441A36.6Very low37Very low92 Ų92132.9 Ų132.976%0.7681%0.812SS**  99.8141.896.100000108.4
442E37.5Very low37Very low188 Ų188130.1 Ų130.188%0.87981%0.81SS**  cis-179.3145.833.1-143.3171.2-169.800107.7
443G36.1Very low36.8Very low84 Ų84133.8 Ų133.887%0.86681%0.813SS**  trans66145.7149.200000119.3
444G33.8Very low36.8Very low70 Ų70139.3 Ų139.372%0.72282%0.82SS**  cis153.7155.1900000109.7
445M38.8Very low36.6Very low179 Ų179137 Ų13788%0.88282%0.818SS**  trans78.6109.1163-51.3-162.3170.700117.6
446T34.8Very low36.4Very low121 Ų121135.3 Ų135.374%0.74282%0.818SS**  71.8140.258.867.30000117.1
447T40.1Very low36.2Very low139 Ų139136.1 Ų136.185%0.85382%0.817SS**  trans86.2144.6163.572.20000116.9
448A36.4Very low35.9Very low82 Ų82136.3 Ų136.368%0.67882%0.816SS**  cis-173.2147.4-600000110.2
449T32.7Very low36Very low130 Ų130133 Ų13380%0.79881%0.809SS**  trans38.7123.4130.2-35.90000121.8
450Q37.6Very low36.4Very low166 Ų166134.4 Ų134.478%0.77680%0.804SS**  169.4121.2117.7-95.1-178.7-1.400110.5
451R33.9Very low36.4Very low236 Ų236137.8 Ų137.889%0.89181%0.805SS**  80.2114.675.8-151.6-174.7-155.9-176.84.8112.4
452G39.3Very low36.6Very low75 Ų75142.5 Ų142.577%0.77381%0.813SS**  trans179.785.5170.300000113.7
453M34.9Very low36.6Very low170 Ų170145 Ų14584%0.83781%0.814SS**  trans-67.7140.3167.4-55.4-177.4-5800110.2
454F37.7Very low36.7Very low212 Ų212147.9 Ų147.993%0.9382%0.815SS**  trans-147.1101.9147.4-90.9-77000110.9
455T34.7Very low36.9Very low132 Ų132148.9 Ų148.981%0.8182%0.817SS**  trans-73.9135.5151.339.80000109.8
456A31.6Very low37Very low101 Ų101148.5 Ų148.584%0.83582%0.816SS**  trans148.1121.3137.800000111.8
457A33.8Very low37.3Very low97 Ų97148.5 Ų148.580%0.80282%0.816SS**  149.9107.2120.100000111.1
458E30.6Very low37.2Very low179 Ų179149.8 Ų149.884%0.83681%0.812SS**  trans-61.1154.3159-66.7-178.8154.800110.8
459P41.3Very low37.6Very low124 Ų124151.4 Ų151.481%0.80582%0.819SS**  trans-126.7109.8133.232.1-19.5000111.6
460K44.2Very low38Very low159 Ų159154.1 Ų154.169%0.69182%0.82SS**  10.5131.6128.9-79.8176.5176.6178.70118.8
461H39Very low38.6Very low158 Ų158152.2 Ų152.273%0.73183%0.825SS**  trans84.8102.6143.6-54.1-30.1000117.9
462M40Very low39.6Very low190 Ų190150.3 Ų150.394%0.93682%0.823SS**  -150119.1123.7-108.4179.2-75.700110.4
463R38.1Very low39.7Very low241 Ų241153 Ų15391%0.90982%0.824SS**  trans-79.8136.2170.8-75.9171.4166.2161.6-5.2108.3
464T38.6Very low40.7Very low144 Ų144150.7 Ų150.788%0.88382%0.822SS**  trans-147116.7147.5-0.20000109
465A36.3Very low41Very low91 Ų91149.1 Ų149.175%0.75282%0.818SS**  trans-77.2142.117700000109.9
466I41.7Very low41.5Very low171 Ų171149 Ų14988%0.87782%0.822SS**  trans-123.4123.6154.9-62.8-179000108.4
467V41.1Very low42.1Very low121 Ų121147.6 Ų147.673%0.73382%0.817SS**  trans-55.5129-176.1169.40000113.2
468E37.6Very low42.5Very low166 Ų166149.4 Ų149.478%0.77682%0.819SS**  trans-66.4128156.9-73.5-177.7151.800109.7
469S44.4Very low43.4Very low116 Ų116147.7 Ų147.781%0.81182%0.821SS**  trans-110.4106.716319.30000108.8
470K41.7Very low43.8Very low188 Ų188150.7 Ų150.782%0.81782%0.824SS**  trans-82.6115.9164.3-71.4179.8179174.20107.9
471S51.2Low44.1Very low126 Ų126150 Ų15088%0.88183%0.828SS**  trans-98.8150.3163.361.90000110.4
472K54.4Low44.5Very low195 Ų195147.3 Ų147.385%0.84882%0.823SS**  trans-108.8133.9-150.9-173.7179.9-178.8-1760109
473T41.4Very low44.8Very low132 Ų132143.8 Ų143.881%0.8181%0.812SS**  trans-64.4144.5164.49.20000111.1
474P55.7Low46Very low121 Ų121141 Ų14179%0.78681%0.81SS**  trans-118.1131.9148.132.6-21.3000111.5
475E44.3Very low46.7Very low180 Ų180141.6 Ų141.684%0.84181%0.807SS**  trans-80.8166.7165.7-69.9-179.6146.600111.7
476S44Very low47.8Very low128 Ų128143.5 Ų143.590%0.89581%0.809SS**  trans77.7141.2169.285.20000115
477G44.7Very low48.6Very low72 Ų72140.9 Ų140.974%0.74281%0.806SS**  cis-173.5161.27.600000108.1
478T42.1Very low49.6Very low136 Ų136143 Ų14383%0.83481%0.812SS**  trans-54.6143.9178.348.30000115
479T49.6Very low50.2Low143 Ų143144 Ų14488%0.87782%0.817SS**  -169.5136126.642.20000110.7
480E50.2Low50.8Low187 Ų187143.9 Ų143.987%0.87482%0.816SS**  trans-64.3154.2169.7-60.7165.7160.300110.7
481D50.9Low51.4Low143 Ų143142.4 Ų142.477%0.76582%0.817SS**  158.5141.5114-145.3-12000112.9
482T45.9Very low51.7Low102 Ų102142.2 Ų142.263%0.62681%0.813SS**  trans63.2108.9150.318.60000124.4
483T47.6Very low52.1Low116 Ų116142.4 Ų142.471%0.71281%0.814SS**  40.2128.8124.258.70000121.8
484E62.9Low52.9Low184 Ų184141.8 Ų141.886%0.8681%0.81SS**  172.1151.6102.4-86.7-164.1-174.100112.3
485D52.4Low53.1Low155 Ų155147.1 Ų147.183%0.82981%0.814SS**  trans-60.4144.1-176.7-63.1-56.5000115.1
486V59.9Low53.7Low131 Ų131145.4 Ų145.479%0.79481%0.811SS**  trans-144.8106.8149.2-173.60000110.1L488V486-L488 HydrophobicContact CG1-CG 4.18Å
487S57.8Low54.4Low117 Ų117149.3 Ų149.382%0.81883%0.829SS**  trans-74.2132.7159.4-65.10000109.9
488L62.3Low54.9Low164 Ų164153.2 Ų153.286%0.85983%0.833SS**  trans-128.4113.5163.3-81.3170.9000109.5V486V486-L488 HydrophobicContact CG1-CG 4.18Å
489E50.8Low55.6Low188 Ų188154.1 Ų154.188%0.87983%0.833SS**  trans-112.7121.9174.1-176.6169.4-158.500106.2
490S58Low55.9Low114 Ų114154.7 Ų154.780%0.79783%0.831SS**  trans-169.2130.9159.744.80000112.3
491D53.6Low56.3Low156 Ų156152.8 Ų152.883%0.83483%0.828SS**PPolyproline II helixtrans-59.7163.7-168.1-68.8-50.6000118.9
492P58Low56.6Low123 Ų123153.4 Ų153.480%0.79983%0.832SS**PPolyproline II helixtrans-85.5140.3175.834.8-31.9000112.6
493K62.4Low57.3Low199 Ų199156.9 Ų156.987%0.86585%0.846SS**PPolyproline II helixtrans-100.7118.8174.6-126.7172.9-172.8172.90110.8
494V58.4Low58Low119 Ų119159.8 Ų159.872%0.72186%0.856SS**PPolyproline II helixtrans-57.9134.6167.8178.20000110.6
495W59Low57.6Low232 Ų232157.9 Ų157.988%0.87986%0.856SS**  trans-117114.6158-94.261.7000108.5
496N57Low58.1Low145 Ų145158.2 Ų158.278%0.77586%0.858SS**  trans-82.7123.8161.6-82.2-19.9000108.2
497V59.9Low57.9Low210 Ų210160.6 Ų160.6100%1.27386%0.864SS**  trans-146.10133.2176.50000107.1

Retrieved 497 of 497 residues in 738.3 ms (Link to these results)