A0A087Y7A8_POEFO Loading...

Rho GTPase-activating protein 19

GTPase activator for the Rho-type GTPases by converting them to an inactive GDP-bound state.

AlphaFold DB , UniProt , Accession A0A087Y7A8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 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
1M34.4Very low29.2Very low249 Ų249149.1 Ų149.1100%1.22782%0.817SS**  0118.20-68.8175.5172.300106.1
2A31.8Very low29Very low86 Ų86153.9 Ų153.971%0.71182%0.824SS**  cis-153.414715.600000109.4
3T29.7Very low28.9Very low125 Ų125156.5 Ų156.577%0.76783%0.827SS**  trans40.5132143.956.20000120.2
4K32.1Very low28.8Very low186 Ų186154.8 Ų154.881%0.80982%0.819SS**  cis-172.2140.934.6-119.5162.6-177-179.30109.5
5N28.9Very low28.9Very low157 Ų157159.5 Ų159.584%0.8482%0.821SS**  trans26145.7135.8-70.64.3000120.4
6C28.2Very low28.9Very low107 Ų107164.4 Ų164.472%0.72383%0.826SS**  cis-175.4135.81.8171.70000106.5
7S28Very low28.9Very low101 Ų101165.1 Ų165.171%0.70683%0.826SS**  trans33.3120.2144.5-44.90000123.4
8Q28.2Very low28.9Very low181 Ų181163.7 Ų163.785%0.84683%0.828SS**  trans7.9129.6131.5-61.2173-1800119.1
9N25.7Very low28.8Very low145 Ų145163.5 Ų163.578%0.77583%0.829SS**  -178.1152.598.3-120.9-10.5000115.3
10T26.4Very low28.8Very low117 Ų117161.5 Ų161.572%0.71883%0.829SS**  trans76.1108149.654.30000123.5
11E28.2Very low28.8Very low186 Ų186158.8 Ų158.887%0.86983%0.825SS**  trans21127.9132.9-65.4-178154.500121.6
12K26.7Very low28.7Very low207 Ų207152.6 Ų152.690%0.980%0.801SS**  -161.5131.5117.3-110.9172.3-175.9177.90112.5
13H26.9Very low28.7Very low187 Ų187157.8 Ų157.887%0.86681%0.807SS**  trans-55.7130.4177.8-98.6-91.2000113.3
14D27.6Very low28.6Very low133 Ų133159.7 Ų159.771%0.71181%0.812SS**  trans-110.2154.9167.5-151.2-8.4000110.8
15R31Very low28.5Very low226 Ų226157 Ų15785%0.85382%0.816SS**  trans-43.2133.3-167.6-68155.7166.3162.9-4.6115.5
16R28.8Very low28.6Very low237 Ų237158.3 Ų158.389%0.89482%0.816SS**  trans-100.7106.7164.1-82.4-176.6177.6171.9-0110.1
17E28.5Very low28.8Very low176 Ų176162 Ų16282%0.82282%0.823SS**  trans-66139.2161.5-70.6172.4149.300110.1N19E17-N19 PolarHBondContact O-N 3.25Å
18T29.6Very low29Very low141 Ų141166.9 Ų166.987%0.86583%0.831SS**  trans-79.9108.2177.733.90000110.4C20T18-C20 PolarHBondContact O-N 3.46Å
19N27.3Very low29.5Very low160 Ų160163.6 Ų163.686%0.85683%0.825SS**  trans-79.8112174.1-82.5-36.2000111.1E17 S21E17-N19 PolarHBondContact O-N 3.25Å; N19-S21 PolarHBondContact O-N 3.4Å
20C28.1Very low29.9Very low122 Ų122164.5 Ų164.582%0.82483%0.831SS**  trans-67.4117162.4-92.10000110T18 V22T18-C20 PolarHBondContact O-N 3.46Å; C20-V22 PolarHBondContact O-N 3.21Å; C20-V22 VanDerWaalsContact O-N 3.14Å
21S28Very low30.7Very low105 Ų105163.4 Ų163.473%0.73483%0.833SS**  trans-73.8100.1172.556.20000110.7N19N19-S21 PolarHBondContact O-N 3.4Å
22V34.1Very low31.5Very low120 Ų120162.4 Ų162.473%0.72783%0.834SS**  trans-84.4120.4170.2177.90000108.8C20 L24C20-V22 PolarHBondContact O-N 3.21Å; C20-V22 VanDerWaalsContact O-N 3.14Å; V22-L24 PolarHBondContact O-N 3.37Å
23F30.3Very low32.2Very low194 Ų194159.5 Ų159.585%0.85182%0.823SS**  trans-68113.7171.3-71.8-92.9000109.6C25F23-C25 PolarHBondContact O-N 2.76Å
24L29.2Very low33.1Very low166 Ų166156 Ų15687%0.86982%0.818SS**  trans-79102.7172.2-77.3155.1000109.4V22V22-L24 PolarHBondContact O-N 3.37Å
25C29.1Very low34.2Very low130 Ų130155.4 Ų155.488%0.87882%0.818SS**  trans-79.1120.5156.4-87.10000108.3F23 E27F23-C25 PolarHBondContact O-N 2.76Å; C25-E27 PolarHBondContact O-N 3.17Å
26H30.7Very low35.3Very low184 Ų184148.1 Ų148.185%0.85280%0.795SS**  trans-92.595.2179.2-153.656.9000109.4
27E32.7Very low36.7Very low184 Ų184142.7 Ų142.786%0.8679%0.793SS**  trans-126.9131.5159.8-85.2-175.1153.100108.6C25C25-E27 PolarHBondContact O-N 3.17Å
28K32.8Very low39.1Very low203 Ų203137.8 Ų137.888%0.88377%0.772SS**PPolyproline II helixtrans-60.4131.8-176.2-79.1177.7173.8176.60110.5
29P37.2Very low41.3Very low112 Ų112136.1 Ų136.173%0.72776%0.763SS**PPolyproline II helixtrans-85.6124.7176.632-28.7000110.3A31P29-A31 PolarHBondContact O-N 3.46Å
30D35Very low44.1Very low165 Ų165129.2 Ų129.288%0.88273%0.726SS**PPolyproline II helixtrans-67122154.1-84-30.3000108N32D30-N32 PolarHBondContact O-N 2.85Å
31A42.8Very low47Very low93 Ų93127.7 Ų127.777%0.76971%0.706SS**THydrogen-bonded Turntrans-71.192.2-175.600000110.7P29P29-A31 PolarHBondContact O-N 3.46Å
32N45.2Very low50Low165 Ų165124.7 Ų124.788%0.88268%0.68SS**THydrogen-bonded Turntrans-179.622.9148.2-97.3-8.6000117D30D30-N32 PolarHBondContact O-N 2.85Å
33Q42.4Very low52.9Low147 Ų147119.2 Ų119.269%0.68765%0.647SS**SBendtrans-124.5138.6169.5-87.8179-0.600112.1V35Q33-V35 PolarHBondContact O-N 2.81Å; Q33-V35 VanDerWaalsContact O-N 3.16Å
34P44.5Very low55.8Low114 Ų114112 Ų11274%0.7462%0.616SS**  trans-62.7121.9171.326.7-30.7000107.8I36P34-I36 VanDerWaalsContact C-N 3.32Å; P34-I36 PolarHBondContact O-N 2.66Å
35V51.3Low58.8Low120 Ų120108.8 Ų108.873%0.72759%0.592SS**  trans-67.493177.3-178.70000107.5Q33 C37Q33-V35 PolarHBondContact O-N 2.81Å; Q33-V35 VanDerWaalsContact O-N 3.16Å; V35-C37 PolarHBondContact O-N 3.1Å; V35-C37 VanDerWaalsContact O-N 3.14Å
36I54Low61.9Low72 Ų72102.6 Ų102.637%0.36955%0.55SS..  trans-74103.2171-60.4176.8000106.5P34 N38 F41 F42P34-I36 VanDerWaalsContact C-N 3.32Å; P34-I36 PolarHBondContact O-N 2.66Å; I36-N38 WeakPolarHBondContact CG2-O 3.48Å; I36-N38 PolarHBondContact O-N 3.25Å; I36-F41 HydrophobicContact CG2-CB 3.39Å; I36-F41 HydrophobicContact CG2-CD1 4.08Å; I36-F41 HydrophobicContact CG2-CG 3.78Å; I36-F42 HydrophobicContact CD1-CD2 4.28Å; I36-F42 HydrophobicContact CD1-CE2 3.33Å; I36-F42 HydrophobicContact CD1-CZ 3.55Å
37C58.8Low64.9Low124 Ų12495.4 Ų95.484%0.83852%0.516SS*.SBendtrans-65.2-7-175.7-60.90000114.7V35V35-C37 PolarHBondContact O-N 3.1Å; V35-C37 VanDerWaalsContact O-N 3.14Å
38N77.5Confident67.8Low73 Ų7393 Ų9339%0.3950%0.504SS..  trans-119.3113173.6178.91.2000109.9I36 D40 F41I36-N38 WeakPolarHBondContact CG2-O 3.48Å; I36-N38 PolarHBondContact O-N 3.25Å; N38-D40 PolarHBondContact O-N 2.66Å; N38-D40 PolarHBondContact OD1-N 3.16Å; N38-F41 HydrophobicContact CB-CB 4.19Å; N38-F41 VanDerWaalsContact O-CB 3.28Å; N38-F41 WeakPolarHBondContact O-CB 3.45Å; N38-F41 PolarHBondContact O-N 2.93Å
39P76.9Confident70.7Confident105 Ų10587.8 Ų87.868%0.68248%0.483SS*.THydrogen-bonded Turntrans-62.5-16.1-179.728-36.1000113.5
40D85.3Confident73.5Confident15 Ų1585.6 Ų85.68%0.0846%0.462CS..THydrogen-bonded Turntrans-108.113.4179.4-64.7-6.1000112N38 F42 V43 E44 A303 K308N38-D40 PolarHBondContact O-N 2.66Å; N38-D40 PolarHBondContact OD1-N 3.16Å; D40-F42 PolarHBondContact O-N 2.93Å; D40-V43 WeakPolarHBondContact O-CB 3.12Å; D40-V43 PolarHBondContact O-N 3.35Å; D40-E44 PolarHBondContact O-N 3.46Å; D40-A303 PolarHBondContact OD2-N 3.37Å; D40-K308 WeakPolarHBondContact OD1-CE 3.33Å; D40-K308 IonicContact OD1-NZ 3.65Å; D40-K308 PolarHBondContact OD1-NZ 3.31Å
41F89.6Confident76.3Confident90 Ų9081 Ų8140%0.39544%0.442SS..Hα-helixtrans-52.2-51.2-177.6174.4-99.9000113.4I36 N38 V43 E44 R45I36-F41 HydrophobicContact CG2-CB 3.39Å; I36-F41 HydrophobicContact CG2-CD1 4.08Å; I36-F41 HydrophobicContact CG2-CG 3.78Å; N38-F41 HydrophobicContact CB-CB 4.19Å; N38-F41 VanDerWaalsContact O-CB 3.28Å; N38-F41 WeakPolarHBondContact O-CB 3.45Å; N38-F41 PolarHBondContact O-N 2.93Å; F41-V43 PolarHBondContact O-N 2.93Å; F41-E44 PolarHBondContact O-N 3.49Å; F41-R45 WeakPolarHBondContact O-CB 3.42Å; F41-R45 PolarHBondContact O-N 3.43Å
42F91.5Very high78.7Confident43 Ų4383.3 Ų83.319%0.18944%0.437CS..Hα-helixtrans-64.2-31.5180-69.8-68.1000112.2I36 D40 F46 A311 R312 Y315I36-F42 HydrophobicContact CD1-CD2 4.28Å; I36-F42 HydrophobicContact CD1-CE2 3.33Å; I36-F42 HydrophobicContact CD1-CZ 3.55Å; D40-F42 PolarHBondContact O-N 2.93Å; F42-F46 WeakPolarHBondContact O-CB 3.39Å; F42-F46 PolarHBondContact O-N 2.87Å; F42-A311 HydrophobicContact CB-CB 4.05Å; F42-R312 HydrophobicContact CD2-CB 4.18Å; F42-R312 HydrophobicContact CD2-CG 4.37Å; F42-R312 HydrophobicContact CE2-CG 4.31Å; F42-Y315 AromaticContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CG 4.26Å
43V93.3Very high81.1Confident5 Ų579 Ų793%0.0341%0.413CS..Hα-helixtrans-69.6-49.1178.7-179.40000110.4D40 F41 R45 F46 R47 F54 M226 A303 I307 K308 A311D40-V43 WeakPolarHBondContact O-CB 3.12Å; D40-V43 PolarHBondContact O-N 3.35Å; F41-V43 PolarHBondContact O-N 2.93Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.41Å; V43-F46 PolarHBondContact O-N 3.48Å; V43-R47 WeakPolarHBondContact O-CB 3.33Å; V43-R47 PolarHBondContact O-N 3.34Å; V43-F54 HydrophobicContact CG1-CE2 3.85Å; V43-F54 HydrophobicContact CG1-CZ 4.23Å; V43-M226 HydrophobicContact CG1-SD 4.16Å; V43-A303 HydrophobicContact CB-CB 4.42Å; V43-A303 HydrophobicContact CG1-CB 4.07Å; V43-A303 HydrophobicContact CG2-CB 3.97Å; V43-I307 HydrophobicContact CG1-CG2 4.06Å; V43-I307 HydrophobicContact CG2-CG2 4.26Å; V43-K308 HydrophobicContact CG2-CB 4.31Å; V43-K308 HydrophobicContact CG2-CG 3.98Å; V43-A311 HydrophobicContact CG2-CB 4.1Å
44E92.2Very high83.6Confident43 Ų4372.2 Ų72.220%0.20138%0.381CS..Hα-helixtrans-65.3-40177.7-63.8-66.5173.700110.6D40 F41 F46 R47 H48 R233D40-E44 PolarHBondContact O-N 3.46Å; F41-E44 PolarHBondContact O-N 3.49Å; E44-F46 PolarHBondContact O-N 2.96Å; E44-R47 WeakPolarHBondContact O-CB 3.23Å; E44-R47 PolarHBondContact O-N 3.17Å; E44-R47 IonicContact OE2-NH1 2.8Å; E44-R47 PolarHBondContact OE2-NH1 3.05Å; E44-H48 PolarHBondContact O-CD2 2.9Å; E44-H48 PolarHBondContact O-N 2.97Å; E44-R233 IonicContact OE1-CZ 3.96Å; E44-R233 IonicContact OE1-NH1 2.66Å; E44-R233 PolarHBondContact OE1-NH1 3.11Å; E44-R233 IonicContact OE1-NH2 3.85Å
45R92.3Very high86.1Confident97 Ų9767.9 Ų67.937%0.36636%0.355SS..Hα-helixtrans-58.4-48.4172.9-172.5-177176.4-175.4-5.3112F41 V43 R47 H48 E49 Y315F41-R45 WeakPolarHBondContact O-CB 3.42Å; F41-R45 PolarHBondContact O-N 3.43Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.41Å; R45-R47 VanDerWaalsContact C-N 3.31Å; R45-R47 PolarHBondContact O-N 2.9Å; R45-H48 PolarHBondContact O-N 3.12Å; R45-H48 VanDerWaalsContact O-N 3.17Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 WeakPolarHBondContact CG-OE1 3.3Å; R45-E49 IonicContact CZ-OE1 3.5Å; R45-E49 IonicContact CZ-OE2 3.42Å; R45-E49 IonicContact NE-OE1 3.74Å; R45-E49 PolarHBondContact NE-OE1 3.5Å; R45-E49 IonicContact NE-OE2 2.76Å; R45-E49 PolarHBondContact NE-OE2 3.3Å; R45-E49 IonicContact NH2-OE1 2.9Å; R45-E49 PolarHBondContact NH2-OE1 3.32Å; R45-E49 IonicContact NH2-OE2 3.17Å; R45-E49 PolarHBondContact O-N 3.12Å; R45-Y315 HydrophobicContact CB-CE2 4.37Å; R45-Y315 HydrophobicContact CG-CE2 4.17Å
46F94.3Very high88.1Confident0 Ų067 Ų670%035%0.346CS..Hα-helixtrans-61.5-40.8179.3-172.5-129.8000111.9F42 V43 E44 H48 H50 I53 F54 L57 Y310 A311 F314 Y315F42-F46 WeakPolarHBondContact O-CB 3.39Å; F42-F46 PolarHBondContact O-N 2.87Å; V43-F46 PolarHBondContact O-N 3.48Å; E44-F46 PolarHBondContact O-N 2.96Å; F46-H48 VanDerWaalsContact C-N 3.33Å; F46-H48 PolarHBondContact O-N 2.87Å; F46-H50 HydrophobicContact CD2-CB 4.02Å; F46-H50 AromaticContact CD2-CD2 3.97Å; F46-H50 HydrophobicContact CE2-CB 3.76Å; F46-H50 HydrophobicContact CZ-CB 4.48Å; F46-H50 CarbonylContact O-C 3.43Å; F46-H50 WeakPolarHBondContact O-CA 3.46Å; F46-H50 PolarHBondContact O-N 3.34Å; F46-I53 HydrophobicContact CE2-CG2 4.49Å; F46-I53 HydrophobicContact CZ-CB 4.08Å; F46-I53 HydrophobicContact CZ-CG2 3.73Å; F46-F54 HydrophobicContact CD1-CB 4.12Å; F46-F54 AromaticContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CG 4.36Å; F46-F54 HydrophobicContact CE1-CB 4.07Å; F46-F54 HydrophobicContact CE1-CD2 4.1Å; F46-L57 HydrophobicContact CE1-CD2 4.17Å; F46-Y310 HydrophobicContact CE1-CD1 4.1Å; F46-Y310 AromaticContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CZ-CD1 4.45Å; F46-Y310 AromaticContact CZ-CE1 3.78Å; F46-Y310 HydrophobicContact CZ-CE1 3.78Å; F46-A311 HydrophobicContact CB-CB 4.13Å; F46-A311 HydrophobicContact CD1-CB 4.39Å; F46-A311 HydrophobicContact CG-CB 4.45Å; F46-F314 AromaticContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CE1 4.06Å; F46-F314 HydrophobicContact CD2-CG 4.16Å; F46-F314 HydrophobicContact CD2-CZ 4.47Å; F46-F314 AromaticContact CE2-CD1 3.88Å; F46-F314 HydrophobicContact CE2-CD1 3.88Å; F46-F314 AromaticContact CE2-CD2 3.83Å; F46-F314 HydrophobicContact CE2-CD2 3.83Å; F46-F314 AromaticContact CE2-CE1 3.88Å; F46-F314 HydrophobicContact CE2-CE1 3.88Å; F46-F314 AromaticContact CE2-CE2 3.82Å; F46-F314 HydrophobicContact CE2-CE2 3.82Å; F46-F314 AromaticContact CE2-CG 3.86Å; F46-F314 HydrophobicContact CE2-CG 3.86Å; F46-F314 AromaticContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CZ-CD2 4.37Å; F46-F314 HydrophobicContact CZ-CE2 4.49Å; F46-Y315 WeakPolarHBondContact CA-OH 3.45Å; F46-Y315 HydrophobicContact CB-CE2 3.94Å; F46-Y315 HydrophobicContact CD2-CE2 4.31Å
47R93.9Very high90.1Very high34 Ų3465.1 Ų65.113%0.12834%0.337CS..Hα-helixtrans-61.7-37.2175.3179.2179.3-176.7-154.2-1.5113.2V43 E44 R45 P51 F54 M226 L228V43-R47 WeakPolarHBondContact O-CB 3.33Å; V43-R47 PolarHBondContact O-N 3.34Å; E44-R47 WeakPolarHBondContact O-CB 3.23Å; E44-R47 PolarHBondContact O-N 3.17Å; E44-R47 IonicContact OE2-NH1 2.8Å; E44-R47 PolarHBondContact OE2-NH1 3.05Å; R45-R47 VanDerWaalsContact C-N 3.31Å; R45-R47 PolarHBondContact O-N 2.9Å; R47-P51 WeakPolarHBondContact O-CA 3.43Å; R47-F54 HydrophobicContact CB-CD1 3.84Å; R47-F54 HydrophobicContact CB-CD2 4.24Å; R47-F54 HydrophobicContact CB-CE1 3.88Å; R47-F54 HydrophobicContact CB-CE2 4.27Å; R47-F54 HydrophobicContact CB-CG 4Å; R47-F54 HydrophobicContact CB-CZ 4.07Å; R47-F54 HydrophobicContact CG-CD1 3.67Å; R47-F54 HydrophobicContact CG-CE1 3.62Å; R47-F54 HydrophobicContact CG-CG 4.32Å; R47-F54 HydrophobicContact CG-CZ 4.24Å; R47-M226 PolarHBondContact NE-O 3.24Å; R47-M226 PolarHBondContact NH2-O 3.5Å; R47-L228 PolarHBondContact NH2-O 3.36Å
48H92.3Very high91.9Very high134 Ų13459.2 Ų59.262%0.6230%0.297SS*.Hα-helixtrans-80.9-42.6-179.9-75.5-64.6000113.3E44 R45 F46E44-H48 PolarHBondContact O-CD2 2.9Å; E44-H48 PolarHBondContact O-N 2.97Å; R45-H48 PolarHBondContact O-N 3.12Å; R45-H48 VanDerWaalsContact O-N 3.17Å; F46-H48 VanDerWaalsContact C-N 3.33Å; F46-H48 PolarHBondContact O-N 2.87Å
49E94.9Very high92.8Very high92 Ų9256.7 Ų56.743%0.4328%0.283SS..Hα-helixtrans-80.2-34.3-177.3-67.8179.3-175.900112.6R45 Y315R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 WeakPolarHBondContact CG-OE1 3.3Å; R45-E49 IonicContact CZ-OE1 3.5Å; R45-E49 IonicContact CZ-OE2 3.42Å; R45-E49 IonicContact NE-OE1 3.74Å; R45-E49 PolarHBondContact NE-OE1 3.5Å; R45-E49 IonicContact NE-OE2 2.76Å; R45-E49 PolarHBondContact NE-OE2 3.3Å; R45-E49 IonicContact NH2-OE1 2.9Å; R45-E49 PolarHBondContact NH2-OE1 3.32Å; R45-E49 IonicContact NH2-OE2 3.17Å; R45-E49 PolarHBondContact O-N 3.12Å; E49-Y315 WeakPolarHBondContact OE2-CE1 3.39Å; E49-Y315 VanDerWaalsContact OE2-CZ 3.27Å; E49-Y315 PolarHBondContact OE2-OH 3.45Å
50H95.3Very high93.7Very high66 Ų6655 Ų5531%0.30627%0.274SS..  trans-131.362-176.3-60.7-66.4000112.3F46 Q52 I53 F54 F314F46-H50 HydrophobicContact CD2-CB 4.02Å; F46-H50 AromaticContact CD2-CD2 3.97Å; F46-H50 HydrophobicContact CE2-CB 3.76Å; F46-H50 HydrophobicContact CZ-CB 4.48Å; F46-H50 CarbonylContact O-C 3.43Å; F46-H50 WeakPolarHBondContact O-CA 3.46Å; F46-H50 PolarHBondContact O-N 3.34Å; H50-Q52 VanDerWaalsContact C-N 3.33Å; H50-Q52 PolarHBondContact O-N 3.44Å; H50-I53 HydrophobicContact CB-CB 4.32Å; H50-I53 HydrophobicContact CB-CD1 4.23Å; H50-I53 HydrophobicContact CB-CG1 4.44Å; H50-I53 PolarHBondContact O-N 2.98Å; H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 2.98Å; H50-F314 AromaticContact CD2-CE1 3.39Å; H50-F314 WeakPolarHBondContact CD2-CE1 3.39Å; H50-F314 AromaticContact CD2-CZ 3.59Å; H50-F314 AromaticContact NE2-CE1 3.45Å; H50-F314 WeakPolarHBondContact NE2-CE1 3.43Å; H50-F314 AromaticContact NE2-CZ 3.63Å
51P93.9Very high94.1Very high70 Ų7054.8 Ų54.846%0.45527%0.273SS..Hα-helixtrans-61.4-35.3-170.723.4-34.4000114R47 A55R47-P51 WeakPolarHBondContact O-CA 3.43Å; P51-A55 VanDerWaalsContact O-CB 3.28Å; P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.79Å
52Q93.8Very high94.3Very high140 Ų14050.6 Ų50.665%0.65426%0.255SS*.Hα-helixtrans-71-48.8179.9-59.9-61.3-5.600111.7H50 F54 A55 D56H50-Q52 VanDerWaalsContact C-N 3.33Å; H50-Q52 PolarHBondContact O-N 3.44Å; Q52-F54 VanDerWaalsContact C-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.34Å; Q52-A55 PolarHBondContact O-N 3.02Å; Q52-A55 VanDerWaalsContact O-N 3.12Å; Q52-D56 PolarHBondContact O-N 3.39Å
53I95.3Very high94.4Very high74 Ų7451.7 Ų51.738%0.37927%0.265SS..Hα-helixtrans-61.6-40.1177.8-51.4178.3000110.1F46 H50 L57F46-I53 HydrophobicContact CE2-CG2 4.49Å; F46-I53 HydrophobicContact CZ-CB 4.08Å; F46-I53 HydrophobicContact CZ-CG2 3.73Å; H50-I53 HydrophobicContact CB-CB 4.32Å; H50-I53 HydrophobicContact CB-CD1 4.23Å; H50-I53 HydrophobicContact CB-CG1 4.44Å; H50-I53 PolarHBondContact O-N 2.98Å; I53-L57 WeakPolarHBondContact O-CB 3.35Å; I53-L57 PolarHBondContact O-N 3.49Å
54F95.6Very high94.3Very high6 Ų658 Ų583%0.02629%0.288CS..Hα-helixtrans-62-47.2174.1179.2-102.6000112.1V43 F46 R47 H50 Q52 L57 V58 M226 I307V43-F54 HydrophobicContact CG1-CE2 3.85Å; V43-F54 HydrophobicContact CG1-CZ 4.23Å; F46-F54 HydrophobicContact CD1-CB 4.12Å; F46-F54 AromaticContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CG 4.36Å; F46-F54 HydrophobicContact CE1-CB 4.07Å; F46-F54 HydrophobicContact CE1-CD2 4.1Å; R47-F54 HydrophobicContact CB-CD1 3.84Å; R47-F54 HydrophobicContact CB-CD2 4.24Å; R47-F54 HydrophobicContact CB-CE1 3.88Å; R47-F54 HydrophobicContact CB-CE2 4.27Å; R47-F54 HydrophobicContact CB-CG 4Å; R47-F54 HydrophobicContact CB-CZ 4.07Å; R47-F54 HydrophobicContact CG-CD1 3.67Å; R47-F54 HydrophobicContact CG-CE1 3.62Å; R47-F54 HydrophobicContact CG-CG 4.32Å; R47-F54 HydrophobicContact CG-CZ 4.24Å; H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 2.98Å; Q52-F54 VanDerWaalsContact C-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.34Å; F54-L57 PolarHBondContact O-N 3.49Å; F54-V58 HydrophobicContact CD1-CG2 4.34Å; F54-V58 HydrophobicContact CD2-CG2 4.34Å; F54-V58 HydrophobicContact CE1-CG2 3.96Å; F54-V58 HydrophobicContact CE2-CG2 3.97Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 VanDerWaalsContact O-CG2 3.31Å; F54-V58 WeakPolarHBondContact O-CG2 3.35Å; F54-V58 PolarHBondContact O-N 2.95Å; F54-M226 HydrophobicContact CE1-CB 4.12Å; F54-M226 HydrophobicContact CE2-SD 4.44Å; F54-M226 HydrophobicContact CZ-CB 3.87Å; F54-M226 HydrophobicContact CZ-CG 4.28Å; F54-M226 HydrophobicContact CZ-SD 3.92Å; F54-I307 HydrophobicContact CE2-CG2 4.37Å
55A95.1Very high94.1Very high23 Ų2356.7 Ų56.719%0.1928%0.282CS..Hα-helixtrans-61-4617800000111.3P51 Q52 L57 V58 L59 L227P51-A55 VanDerWaalsContact O-CB 3.28Å; P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.79Å; Q52-A55 PolarHBondContact O-N 3.02Å; Q52-A55 VanDerWaalsContact O-N 3.12Å; A55-L57 PolarHBondContact O-N 3.39Å; A55-V58 PolarHBondContact O-N 3.5Å; A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.28Å; A55-L59 WeakPolarHBondContact O-CD1 3.35Å; A55-L59 WeakPolarHBondContact O-CG 3.32Å; A55-L59 PolarHBondContact O-N 3.31Å; A55-L227 HydrophobicContact CB-CD2 4.44Å
56D95.1Very high94.1Very high102 Ų10252.4 Ų52.455%0.54527%0.266SS..Hα-helixtrans-60.9-43.5177.8-69.9-20.5000111.9Q52 L59 S60Q52-D56 PolarHBondContact O-N 3.39Å; D56-L59 PolarHBondContact O-N 2.96Å; D56-S60 WeakPolarHBondContact O-CB 3.4Å; D56-S60 PolarHBondContact O-N 3.45Å
57L96.1Very high93.8Very high32 Ų3258.8 Ų58.817%0.16830%0.301CS..Hα-helixtrans-58.6-50.9174.3175.267000110.7F46 I53 F54 A55 N61 I307 Y310F46-L57 HydrophobicContact CE1-CD2 4.17Å; I53-L57 WeakPolarHBondContact O-CB 3.35Å; I53-L57 PolarHBondContact O-N 3.49Å; F54-L57 PolarHBondContact O-N 3.49Å; A55-L57 PolarHBondContact O-N 3.39Å; L57-N61 PolarHBondContact O-N 3.24Å; L57-N61 VanDerWaalsContact O-N 3.16Å; L57-N61 PolarHBondContact O-ND2 3.2Å; L57-I307 HydrophobicContact CD1-CD1 4.31Å; L57-I307 HydrophobicContact CD2-CD1 3.73Å; L57-I307 HydrophobicContact CG-CD1 3.75Å; L57-Y310 HydrophobicContact CD2-CD1 3.46Å; L57-Y310 VanDerWaalsContact CD2-CD1 3.46Å; L57-Y310 HydrophobicContact CD2-CE1 3.83Å; L57-Y310 HydrophobicContact CD2-CG 3.94Å
58V96.8Very high93.5Very high0 Ų058 Ų580%030%0.299CS..Hα-helixtrans-65.3-44.2-178.4173.70000111F54 A55 N61 I62 L223 M226 L227F54-V58 HydrophobicContact CD1-CG2 4.34Å; F54-V58 HydrophobicContact CD2-CG2 4.34Å; F54-V58 HydrophobicContact CE1-CG2 3.96Å; F54-V58 HydrophobicContact CE2-CG2 3.97Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 VanDerWaalsContact O-CG2 3.31Å; F54-V58 WeakPolarHBondContact O-CG2 3.35Å; F54-V58 PolarHBondContact O-N 2.95Å; A55-V58 PolarHBondContact O-N 3.5Å; V58-N61 WeakPolarHBondContact O-CB 3.42Å; V58-N61 PolarHBondContact O-N 3.21Å; V58-N61 VanDerWaalsContact O-N 3.16Å; V58-I62 HydrophobicContact CG1-CD1 3.96Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.24Å; V58-I62 PolarHBondContact O-N 3.34Å; V58-L223 HydrophobicContact CG1-CB 4.06Å; V58-L223 HydrophobicContact CG1-CD2 4.17Å; V58-L223 VanDerWaalsContact CG1-O 3.26Å; V58-L223 WeakPolarHBondContact CG1-O 3.32Å; V58-M226 HydrophobicContact CG1-CE 4.49Å; V58-M226 HydrophobicContact CG2-CB 4.45Å; V58-M226 HydrophobicContact CG2-CE 4.02Å; V58-L227 HydrophobicContact CB-CD2 3.92Å; V58-L227 HydrophobicContact CB-CG 4.46Å; V58-L227 HydrophobicContact CG1-CD1 4.11Å; V58-L227 HydrophobicContact CG1-CD2 3.68Å; V58-L227 HydrophobicContact CG1-CG 3.67Å
59L95.4Very high93.4Very high19 Ų1954.3 Ų54.310%0.09929%0.287CS..Hα-helixtrans-63-43.6178.3-74.2166.5000112A55 D56 N61 I62 T63 F73 L76 T77 L227A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.28Å; A55-L59 WeakPolarHBondContact O-CD1 3.35Å; A55-L59 WeakPolarHBondContact O-CG 3.32Å; A55-L59 PolarHBondContact O-N 3.31Å; D56-L59 PolarHBondContact O-N 2.96Å; L59-N61 PolarHBondContact O-N 3.09Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-I62 VanDerWaalsContact O-N 3.1Å; L59-T63 WeakPolarHBondContact O-CG2 3.44Å; L59-T63 PolarHBondContact O-N 2.95Å; L59-T63 PolarHBondContact O-OG1 3.28Å; L59-F73 HydrophobicContact CD2-CE2 4.38Å; L59-L76 HydrophobicContact CD2-CD2 3.81Å; L59-L76 HydrophobicContact CD2-CG 3.93Å; L59-T77 HydrophobicContact CD1-CG2 3.9Å; L59-T77 HydrophobicContact CD2-CG2 4.27Å; L59-L227 HydrophobicContact CD2-CD1 3.65Å; L59-L227 HydrophobicContact CG-CD1 4.09Å
60S94.8Very high93.1Very high71 Ų7152.8 Ų52.850%0.49730%0.296SS..Hα-helixtrans-58.9-35174.2178.60000112.2D56 T63D56-S60 WeakPolarHBondContact O-CB 3.4Å; D56-S60 PolarHBondContact O-N 3.45Å; S60-T63 PolarHBondContact O-OG1 3.41Å; S60-T63 VanDerWaalsContact O-OG1 3.09Å
61N94.9Very high92.7Very high10 Ų1053.8 Ų53.85%0.05330%0.303CS..Hα-helixtrans-73.4-39.2174.1-78-82.3000112.5L57 V58 L59 R64 L65 L223 Y306L57-N61 PolarHBondContact O-N 3.24Å; L57-N61 VanDerWaalsContact O-N 3.16Å; L57-N61 PolarHBondContact O-ND2 3.2Å; V58-N61 WeakPolarHBondContact O-CB 3.42Å; V58-N61 PolarHBondContact O-N 3.21Å; V58-N61 VanDerWaalsContact O-N 3.16Å; L59-N61 PolarHBondContact O-N 3.09Å; N61-R64 VanDerWaalsContact CG-NH2 3.26Å; N61-R64 PolarHBondContact O-N 3.04Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.42Å; N61-R64 PolarHBondContact OD1-NH2 2.98Å; N61-L65 WeakPolarHBondContact O-CG 3.38Å; N61-L65 PolarHBondContact O-N 3.16Å; N61-L223 HydrophobicContact CB-CD1 3.68Å; N61-L223 HydrophobicContact CB-CD2 3.83Å; N61-L223 HydrophobicContact CB-CG 4.42Å; N61-Y306 HydrophobicContact CB-CE2 4.31Å; N61-Y306 VanDerWaalsContact CG-CE2 3.46Å; N61-Y306 WeakPolarHBondContact OD1-CE2 3.27Å; N61-Y306 PolarHBondContact OD1-OH 3.38Å
62I94.3Very high92.5Very high2 Ų252 Ų521%0.0129%0.289CS..Hα-helixtrans-61.9-45.9176.7-69.7170.9000110.9V58 L59 R64 L65 I66 L76 L223 L224 L227V58-I62 HydrophobicContact CG1-CD1 3.96Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.24Å; V58-I62 PolarHBondContact O-N 3.34Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-I62 VanDerWaalsContact O-N 3.1Å; I62-R64 PolarHBondContact O-N 2.98Å; I62-L65 PolarHBondContact O-N 3.14Å; I62-I66 HydrophobicContact CG2-CD1 3.64Å; I62-I66 HydrophobicContact CG2-CG1 3.66Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.49Å; I62-L76 HydrophobicContact CG2-CD2 4.14Å; I62-L223 HydrophobicContact CD1-CB 4.04Å; I62-L223 HydrophobicContact CG1-CB 3.58Å; I62-L223 HydrophobicContact CG1-CD1 4.09Å; I62-L223 HydrophobicContact CG1-CG 4.45Å; I62-L224 HydrophobicContact CD1-CD1 4.41Å; I62-L227 HydrophobicContact CD1-CD1 3.54Å; I62-L227 HydrophobicContact CD1-CG 4.38Å
63T92.1Very high92.4Very high65 Ų6548.3 Ų48.340%0.39927%0.271SS..Hα-helixtrans-66.6-20.6-178.254.20000113.9L59 S60 I66 F73L59-T63 WeakPolarHBondContact O-CG2 3.44Å; L59-T63 PolarHBondContact O-N 2.95Å; L59-T63 PolarHBondContact O-OG1 3.28Å; S60-T63 PolarHBondContact O-OG1 3.41Å; S60-T63 VanDerWaalsContact O-OG1 3.09Å; T63-I66 CarbonylContact C-O 3.59Å; T63-F73 HydrophobicContact CG2-CD2 3.61Å; T63-F73 HydrophobicContact CG2-CE2 3.24Å; T63-F73 HydrophobicContact CG2-CZ 4.07Å
64R91.2Very high92.1Very high139 Ų13945.5 Ų45.553%0.52526%0.259SS..Hα-helixtrans-75.4-32.7169.6-164.4-161.9-43.8102.47.5112.2N61 I62N61-R64 VanDerWaalsContact CG-NH2 3.26Å; N61-R64 PolarHBondContact O-N 3.04Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.42Å; N61-R64 PolarHBondContact OD1-NH2 2.98Å; I62-R64 PolarHBondContact O-N 2.98Å
65L89.5Confident91.8Very high14 Ų1445.4 Ų45.47%0.07326%0.259CS..Hα-helixtrans-85.3-39.1-175.8-66.7179000112.3N61 I62 L199 R216 E219 A220 L223N61-L65 WeakPolarHBondContact O-CG 3.38Å; N61-L65 PolarHBondContact O-N 3.16Å; I62-L65 PolarHBondContact O-N 3.14Å; L65-L199 WeakPolarHBondContact O-CD2 3.31Å; L65-R216 HydrophobicContact CD2-CG 3.96Å; L65-R216 PolarHBondContact O-NE 3.19Å; L65-R216 PolarHBondContact O-NH2 2.87Å; L65-E219 HydrophobicContact CD1-CB 4.22Å; L65-E219 HydrophobicContact CD1-CG 3.85Å; L65-A220 HydrophobicContact CB-CB 4.38Å; L65-A220 HydrophobicContact CD1-CB 3.93Å; L65-L223 HydrophobicContact CD1-CD1 3.46Å; L65-L223 VanDerWaalsContact CD1-CD1 3.46Å
66I90.7Very high91.6Very high7 Ų744.6 Ų44.64%0.03625%0.251CS..SBendtrans-126.7139.8-179.656.2170.9000110.9I62 T63 L68 A192 K195 I196 L199I62-I66 HydrophobicContact CG2-CD1 3.64Å; I62-I66 HydrophobicContact CG2-CG1 3.66Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.49Å; T63-I66 CarbonylContact C-O 3.59Å; I66-L68 HydrophobicContact CD1-CD1 3.73Å; I66-L68 HydrophobicContact CD1-CD2 4.38Å; I66-L68 HydrophobicContact CD1-CG 3.95Å; I66-L68 HydrophobicContact CG1-CD1 4.25Å; I66-L68 HydrophobicContact CG1-CG 4.25Å; I66-A192 HydrophobicContact CD1-CB 3.89Å; I66-K195 HydrophobicContact CB-CB 4.06Å; I66-K195 HydrophobicContact CD1-CB 4.23Å; I66-K195 HydrophobicContact CG2-CB 4.15Å; I66-I196 HydrophobicContact CD1-CG1 4.17Å; I66-I196 HydrophobicContact CG2-CG1 3.84Å; I66-L199 HydrophobicContact CG2-CD1 3.77Å; I66-L199 HydrophobicContact CG2-CD2 4.03Å; I66-L199 HydrophobicContact CG2-CG 3.99Å
67D89Confident91.4Very high135 Ų13541.6 Ų41.672%0.72224%0.236SC*.  trans-86113.6172.7-172.313.8000109.7
68L88.2Confident90.8Very high17 Ų1742.3 Ų42.39%0.08925%0.251CS..  trans-116.2115.4176.3-72.8171.3000108.8I66 E72 F73 L76 H191 A192 K195I66-L68 HydrophobicContact CD1-CD1 3.73Å; I66-L68 HydrophobicContact CD1-CD2 4.38Å; I66-L68 HydrophobicContact CD1-CG 3.95Å; I66-L68 HydrophobicContact CG1-CD1 4.25Å; I66-L68 HydrophobicContact CG1-CG 4.25Å; L68-E72 HydrophobicContact CB-CB 4.42Å; L68-E72 HydrophobicContact CD2-CB 4.02Å; L68-F73 HydrophobicContact CB-CB 4.15Å; L68-L76 HydrophobicContact CD1-CD2 3.65Å; L68-H191 HydrophobicContact CD2-CB 4.23Å; L68-A192 HydrophobicContact CD1-CB 4.35Å; L68-K195 HydrophobicContact CD2-CB 4.47Å; L68-K195 HydrophobicContact CD2-CG 3.74Å
69P90.1Very high90.2Very high56 Ų5649.6 Ų49.636%0.36429%0.286SS..  trans-50.8152.1169.1-2634.2000112.1D71 E72 F73P69-D71 WeakPolarHBondContact CB-OD1 3.17Å; P69-D71 PolarHBondContact O-N 2.91Å; P69-E72 HydrophobicContact CB-CG 4.39Å; P69-E72 VanDerWaalsContact CD-OE2 3.32Å; P69-E72 WeakPolarHBondContact CD-OE2 3.29Å; P69-E72 HydrophobicContact CG-CG 4.38Å; P69-E72 WeakPolarHBondContact O-CA 3.41Å; P69-E72 PolarHBondContact O-N 3.33Å; P69-F73 PolarHBondContact O-N 3.03Å
70G87.8Confident89.5Confident60 Ų6050.6 Ų50.662%0.61929%0.294SS*.Hα-helixtrans-55.7-30.4-170.400000115.3A74G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 2.86Å
71D87.4Confident88.5Confident87 Ų8753.1 Ų53.147%0.46531%0.306SS..Hα-helixtrans-77.2-37.917462.3-40.4000113.2P69 Q75P69-D71 WeakPolarHBondContact CB-OD1 3.17Å; P69-D71 PolarHBondContact O-N 2.91Å; D71-Q75 WeakPolarHBondContact O-CG 3.34Å; D71-Q75 PolarHBondContact O-N 3Å
72E89.7Confident87.2Confident33 Ų3354.7 Ų54.715%0.15432%0.317CS..Hα-helixtrans-67.4-38172.8-58.3-170.2166.100111.3L68 P69 Q75 L76 H191L68-E72 HydrophobicContact CB-CB 4.42Å; L68-E72 HydrophobicContact CD2-CB 4.02Å; P69-E72 HydrophobicContact CB-CG 4.39Å; P69-E72 VanDerWaalsContact CD-OE2 3.32Å; P69-E72 WeakPolarHBondContact CD-OE2 3.29Å; P69-E72 HydrophobicContact CG-CG 4.38Å; P69-E72 WeakPolarHBondContact O-CA 3.41Å; P69-E72 PolarHBondContact O-N 3.33Å; E72-Q75 WeakPolarHBondContact O-CB 3.39Å; E72-Q75 PolarHBondContact O-N 2.87Å; E72-L76 PolarHBondContact O-N 3.48Å; E72-L76 VanDerWaalsContact O-N 3.07Å; E72-H191 HydrophobicContact CB-CB 3.97Å; E72-H191 HydrophobicContact CG-CB 4.11Å; E72-H191 IonicContact OE1-CE1 3.71Å; E72-H191 PolarHBondContact OE1-CE1 3.16Å; E72-H191 IonicContact OE1-CG 2.63Å; E72-H191 IonicContact OE1-ND1 3.95Å; E72-H191 PolarHBondContact OE1-ND1 2.83Å; E72-H191 IonicContact OE2-CG 2.87Å; E72-H191 IonicContact OE2-ND1 2.88Å
73F91.6Very high85.7Confident62 Ų6261.9 Ų61.927%0.27235%0.348SS..Hα-helixtrans-67.1-45.4174.1-177.3-104.8000111.7L59 T63 L68 P69 Q75 L76 T77L59-F73 HydrophobicContact CD2-CE2 4.38Å; T63-F73 HydrophobicContact CG2-CD2 3.61Å; T63-F73 HydrophobicContact CG2-CE2 3.24Å; T63-F73 HydrophobicContact CG2-CZ 4.07Å; L68-F73 HydrophobicContact CB-CB 4.15Å; P69-F73 PolarHBondContact O-N 3.03Å; F73-Q75 PolarHBondContact O-N 3.46Å; F73-L76 WeakPolarHBondContact O-CB 3.31Å; F73-L76 PolarHBondContact O-N 2.95Å; F73-T77 HydrophobicContact CD1-CG2 4.29Å; F73-T77 HydrophobicContact CE1-CG2 3.79Å; F73-T77 HydrophobicContact CE2-CG2 4.13Å; F73-T77 HydrophobicContact CZ-CG2 3.7Å; F73-T77 PolarHBondContact O-N 3.33Å
74A88.9Confident84.2Confident16 Ų1659.8 Ų59.813%0.13234%0.335CS..Hα-helixtrans-62.4-26.9174.800000112.7G70 T77 G78 E79 S80G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 2.86Å; A74-T77 PolarHBondContact O-OG1 2.92Å; A74-G78 PolarHBondContact O-N 2.96Å; A74-E79 HydrophobicContact CB-CB 4.3Å; A74-E79 PolarHBondContact O-N 2.95Å; A74-S80 VanDerWaalsContact C-OG 3.23Å; A74-S80 PolarHBondContact O-N 3.34Å; A74-S80 PolarHBondContact O-OG 3.39Å
75Q89.7Confident82.5Confident4 Ų455.5 Ų55.52%0.01933%0.325CS..Hα-helixtrans-70.2-46.2170.1-73.8177.438.900110.9D71 E72 F73 T77 G78 S80 R188 H191D71-Q75 WeakPolarHBondContact O-CG 3.34Å; D71-Q75 PolarHBondContact O-N 3Å; E72-Q75 WeakPolarHBondContact O-CB 3.39Å; E72-Q75 PolarHBondContact O-N 2.87Å; F73-Q75 PolarHBondContact O-N 3.46Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.41Å; Q75-G78 PolarHBondContact O-N 3.46Å; Q75-S80 WeakPolarHBondContact CA-OG 3.32Å; Q75-S80 WeakPolarHBondContact CG-OG 3.19Å; Q75-S80 PolarHBondContact N-OG 3.32Å; Q75-S80 VanDerWaalsContact N-OG 3.14Å; Q75-R188 WeakPolarHBondContact O-CB 3.48Å; Q75-H191 PolarHBondContact OE1-CD2 3.46Å
76L90.8Very high80.4Confident6 Ų660.1 Ų60.13%0.03135%0.354CS..Hα-helixtrans-56.6-42.6178.5178.863.6000112.2L59 I62 L68 E72 F73 G78 H189 A192 L224L59-L76 HydrophobicContact CD2-CD2 3.81Å; L59-L76 HydrophobicContact CD2-CG 3.93Å; I62-L76 HydrophobicContact CG2-CD2 4.14Å; L68-L76 HydrophobicContact CD1-CD2 3.65Å; E72-L76 PolarHBondContact O-N 3.48Å; E72-L76 VanDerWaalsContact O-N 3.07Å; F73-L76 WeakPolarHBondContact O-CB 3.31Å; F73-L76 PolarHBondContact O-N 2.95Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.02Å; L76-H189 VanDerWaalsContact CD1-CD2 3.47Å; L76-H189 WeakPolarHBondContact CD1-CD2 3.44Å; L76-A192 HydrophobicContact CD1-CB 4.29Å; L76-L224 HydrophobicContact CD1-CD1 3.86Å
77T89.9Confident77.9Confident38 Ų3863 Ų6323%0.23338%0.375CS..Hα-helixtrans-74.7-15.2177.863.80000113.4L59 F73 A74 Q75 E79L59-T77 HydrophobicContact CD1-CG2 3.9Å; L59-T77 HydrophobicContact CD2-CG2 4.27Å; F73-T77 HydrophobicContact CD1-CG2 4.29Å; F73-T77 HydrophobicContact CE1-CG2 3.79Å; F73-T77 HydrophobicContact CE2-CG2 4.13Å; F73-T77 HydrophobicContact CZ-CG2 3.7Å; F73-T77 PolarHBondContact O-N 3.33Å; A74-T77 PolarHBondContact O-OG1 2.92Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.41Å; T77-E79 WeakPolarHBondContact OG1-CG 3.31Å; T77-E79 PolarHBondContact OG1-OE1 3.37Å
78G84.8Confident75.7Confident47 Ų4763.9 Ų63.949%0.48539%0.385SS..THydrogen-bonded Turntrans838.9-176.400000114.4A74 Q75 L76 S80A74-G78 PolarHBondContact O-N 2.96Å; Q75-G78 PolarHBondContact O-N 3.46Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.02Å; G78-S80 VanDerWaalsContact C-N 3.29Å
79E83.9Confident73.3Confident154 Ų15465.6 Ų65.672%0.7241%0.408SS*.SBendtrans-70-26.4174-73.5168.1-134.800112.7A74 T77A74-E79 HydrophobicContact CB-CB 4.3Å; A74-E79 PolarHBondContact O-N 2.95Å; T77-E79 WeakPolarHBondContact OG1-CG 3.31Å; T77-E79 PolarHBondContact OG1-OE1 3.37Å
80S80.3Confident70.7Confident39 Ų3972.9 Ų72.927%0.27343%0.434SS..SBendtrans-125146.1177.572.40000112.2A74 Q75 G78A74-S80 VanDerWaalsContact C-OG 3.23Å; A74-S80 PolarHBondContact O-N 3.34Å; A74-S80 PolarHBondContact O-OG 3.39Å; Q75-S80 WeakPolarHBondContact CA-OG 3.32Å; Q75-S80 WeakPolarHBondContact CG-OG 3.19Å; Q75-S80 PolarHBondContact N-OG 3.32Å; Q75-S80 VanDerWaalsContact N-OG 3.14Å; G78-S80 VanDerWaalsContact C-N 3.29Å
81V73.4Confident68.4Low124 Ų12477.5 Ų77.575%0.75244%0.444SS*.  trans-66.2135.7176.9-178.90000109.1K83V81-K83 PolarHBondContact O-N 2.95Å
82P67.2Low66.2Low44 Ų4485.2 Ų85.229%0.28647%0.466SS..  trans-53.9112.3179.2-25.733.3000111.8V84 H187P82-V84 HydrophobicContact CB-CG1 4.13Å; P82-V84 PolarHBondContact O-N 3.38Å; P82-V84 VanDerWaalsContact O-N 3.11Å; P82-H187 HydrophobicContact CB-CB 4.04Å; P82-H187 HydrophobicContact CG-CB 3.87Å
83K63.1Low63.7Low153 Ų15387.2 Ų87.267%0.66548%0.484SS*.  trans-85.970.1170.4-69-179.9-176.5168.90108.5V81V81-K83 PolarHBondContact O-N 2.95Å
84V60.2Low61.2Low20 Ų2091.8 Ų91.812%0.12150%0.504CS..  trans-68.7148.5172.2-650000108.6P82 T86 P271 V274P82-V84 HydrophobicContact CB-CG1 4.13Å; P82-V84 PolarHBondContact O-N 3.38Å; P82-V84 VanDerWaalsContact O-N 3.11Å; V84-T86 VanDerWaalsContact C-N 3.32Å; V84-T86 PolarHBondContact O-N 3.23Å; V84-T86 PolarHBondContact O-OG1 3.46Å; V84-P271 HydrophobicContact CB-CB 3.62Å; V84-P271 HydrophobicContact CB-CG 3.95Å; V84-P271 HydrophobicContact CG1-CB 3.5Å; V84-P271 VanDerWaalsContact CG1-CB 3.5Å; V84-P271 HydrophobicContact CG1-CG 3.56Å; V84-P271 HydrophobicContact CG2-CB 4.06Å; V84-V274 HydrophobicContact CB-CG2 4.14Å; V84-V274 HydrophobicContact CG2-CG2 4.05Å
85P55.4Low58.4Low49 Ų4998.6 Ų98.632%0.31854%0.538SS..  trans-54.7100-177.617.8-28.7000108.9V274 L279P85-V274 HydrophobicContact CG-CG1 3.98Å; P85-V274 WeakPolarHBondContact O-CG2 3.41Å; P85-L279 HydrophobicContact CG-CD2 4.23Å
86T46.1Very low56.2Low112 Ų112106.3 Ų106.369%0.68757%0.572SS**  trans-94.1119.7-175.7-50.20000104.5V84 T88V84-T86 VanDerWaalsContact C-N 3.32Å; V84-T86 PolarHBondContact O-N 3.23Å; V84-T86 PolarHBondContact O-OG1 3.46Å; T86-T88 PolarHBondContact O-N 3.16Å; T86-T88 VanDerWaalsContact O-N 3.09Å
87S39.4Very low53.6Low68 Ų68115.5 Ų115.548%0.47661%0.606SS.*  trans-48.3123.1168.964.70000108.3G89S87-G89 PolarHBondContact O-N 2.86Å
88T42.2Very low51.1Low152 Ų152123.4 Ų123.493%0.93364%0.637SS**SBendtrans-55.3103.8172.141.60000109.2T86T86-T88 PolarHBondContact O-N 3.16Å; T86-T88 VanDerWaalsContact O-N 3.09Å
89G37Very low48.7Very low54 Ų54129.3 Ų129.356%0.55765%0.645SS**SBendtrans169.9105.8178.300000111.7S87S87-G89 PolarHBondContact O-N 2.86Å
90F36.9Very low46.6Very low208 Ų208131.5 Ų131.591%0.91265%0.652SS**SBendtrans16.6106.4160.4-73.7-95.7000117.2R92F90-R92 PolarHBondContact O-N 3.49Å
91L38.4Very low44.7Very low158 Ų158136.6 Ų136.683%0.82767%0.671SS**  trans24.183.6155.1-63174000115.4S93L91-S93 PolarHBondContact O-N 2.78Å
92R41.8Very low43.3Very low249 Ų249140.3 Ų140.394%0.9468%0.677SS**  trans-89.651.7150.2-118-173.6-157.7-178.78.6109.9F90F90-R92 PolarHBondContact O-N 3.49Å
93S36.3Very low42.6Very low74 Ų74139.5 Ų139.552%0.51768%0.677SS.*  trans-90.3120.1164.9-154.30000107.2L91L91-S93 PolarHBondContact O-N 2.78Å
94F40.1Very low42.9Very low159 Ų159137.5 Ų137.570%0.69768%0.678SS**  trans55.393.2169.9-58.6-80.8000117.5
95N29.2Very low44.1Very low159 Ų159137.1 Ų137.185%0.8568%0.675SS**  -136.183.4120-85.2-45000107.3R97N95-R97 PolarHBondContact O-N 2.97Å
96F42.8Very low45.7Very low165 Ų165135.4 Ų135.472%0.72466%0.662SS**  trans-51.396.6138.8-97.5-94.1000104.2K98F96-K98 PolarHBondContact O-N 2.98Å
97R37.8Very low47.6Very low200 Ų200131.7 Ų131.776%0.75565%0.647SS**  trans-53.2104.8156-91.4177.7147.1179.1-8.4102.8N95 R99N95-R97 PolarHBondContact O-N 2.97Å; R97-R99 PolarHBondContact O-N 3.34Å
98K36.3Very low50Low204 Ų204129.7 Ų129.789%0.88763%0.634SS**  trans-56.969.1155.8-84.1-178.6171.91760106.6F96 K100F96-K98 PolarHBondContact O-N 2.98Å; K98-K100 PolarHBondContact O-N 3.01Å
99R36Very low52.3Low170 Ų170126.9 Ų126.964%0.64262%0.619SS**  trans-75.497.7145.4-88.1-165.1-93.2150.3-8.6103.1R97 E101R97-R99 PolarHBondContact O-N 3.34Å; R99-E101 IonicContact NH1-OE2 3.85Å; R99-E101 PolarHBondContact O-N 3.45Å
100K39.1Very low55Low201 Ų201125.9 Ų125.987%0.87460%0.6SS**  trans-64.966.8163.3-167.6-175.9-174.7-176.70106.5K98K98-K100 PolarHBondContact O-N 3.01Å
101E38.9Very low57.6Low145 Ų145118.9 Ų118.968%0.67857%0.574SS**  trans-99.6117.7166.1-85.6177.515600106.1R99 G103R99-E101 IonicContact NH1-OE2 3.85Å; R99-E101 PolarHBondContact O-N 3.45Å; E101-G103 PolarHBondContact O-N 2.98Å
102K44.2Very low60.1Low202 Ų202118.9 Ų118.988%0.87857%0.57SS**  trans-65.479.8-179.9-67.2169.3171.4-179.90109.3
103G53.2Low62.3Low28 Ų28113 Ų11329%0.28955%0.553SS.*  trans-108.9114160.400000107.7E101 I105 N152E101-G103 PolarHBondContact O-N 2.98Å; G103-I105 PolarHBondContact O-N 3.49Å; G103-N152 WeakPolarHBondContact CA-OD1 3.26Å
104V69.2Low65Low111 Ų111109.6 Ų109.667%0.67353%0.53SS*.SBendtrans-72.2-16.3-177.6-175.40000111.1
105I84.9Confident67.5Low11 Ų11102.8 Ų102.86%0.05650%0.501CS..SBendtrans-126.8-49.3-166.5-54.2-175.9000113.1G103 G107 A108 Q117 L151 N152 F176G103-I105 PolarHBondContact O-N 3.49Å; I105-G107 PolarHBondContact O-N 2.94Å; I105-A108 PolarHBondContact O-N 3.5Å; I105-Q117 HydrophobicContact CD1-CB 3.61Å; I105-Q117 HydrophobicContact CD1-CG 3.39Å; I105-L151 WeakPolarHBondContact CD1-O 3.2Å; I105-N152 PolarHBondContact N-OD1 3.3Å; I105-F176 HydrophobicContact CG2-CD2 4.17Å; I105-F176 HydrophobicContact CG2-CE2 3.65Å
106F89.4Confident70.5Confident13 Ų1397.7 Ų97.76%0.05748%0.481CS..THydrogen-bonded Turntrans-77.8126.8-177.5-75.9-98.2000111.6A108 R148 L151 N152 V175 F176 E179F106-A108 PolarHBondContact O-N 3.41Å; F106-R148 HydrophobicContact CD2-CG 3.96Å; F106-R148 HydrophobicContact CE1-CG 4.47Å; F106-R148 HydrophobicContact CE2-CG 3.83Å; F106-R148 HydrophobicContact CG-CG 4.34Å; F106-R148 HydrophobicContact CZ-CG 4.1Å; F106-L151 HydrophobicContact CE2-CB 4.02Å; F106-L151 HydrophobicContact CE2-CD1 4.02Å; F106-L151 HydrophobicContact CZ-CD1 4.03Å; F106-N152 WeakPolarHBondContact CD2-OD1 3.35Å; F106-N152 PolarHBondContact N-OD1 3.43Å; F106-V175 HydrophobicContact CD1-CG1 4.41Å; F106-V175 HydrophobicContact CE1-CG1 4.36Å; F106-F176 HydrophobicContact CD1-CB 4.15Å; F106-F176 HydrophobicContact CD1-CD2 4.3Å; F106-F176 HydrophobicContact CE1-CB 3.7Å; F106-F176 HydrophobicContact CE1-CD2 4.4Å; F106-F176 HydrophobicContact CZ-CB 4.34Å; F106-E179 WeakPolarHBondContact CB-OE2 3.49Å
107G86.8Confident72.9Confident35 Ų3591.2 Ų91.236%0.36145%0.453SS..THydrogen-bonded Turntrans80.8-4-176.600000114.8I105 E179I105-G107 PolarHBondContact O-N 2.94Å; G107-E179 WeakPolarHBondContact CA-O 3.38Å
108A89.3Confident75.7Confident25 Ų2581.7 Ų81.721%0.20742%0.417CS..SBendtrans-86.2160.5174.600000111.4I105 F106 P181I105-A108 PolarHBondContact O-N 3.5Å; F106-A108 PolarHBondContact O-N 3.41Å; A108-P181 WeakPolarHBondContact O-CD 3.25Å
109P91.4Very high78.5Confident94 Ų9473.9 Ų73.961%0.6139%0.388SS*.  trans-54.3150.4167.4-23.234.3000111.5T111 P181P109-T111 PolarHBondContact O-N 3.04Å; P109-P181 HydrophobicContact CG-CG 4.39Å
110L92.5Very high81.3Confident33 Ų3367.6 Ų67.617%0.17337%0.365CS..  trans-68.4114.1-178.6-17465.1000110.7I115 F176 L180 L184 A231 N232 L235L110-I115 HydrophobicContact CD1-CD1 4.27Å; L110-I115 HydrophobicContact CD1-CG1 3.72Å; L110-I115 HydrophobicContact CD2-CD1 4.35Å; L110-I115 HydrophobicContact CG-CD1 4.15Å; L110-I115 HydrophobicContact CG-CG1 4.15Å; L110-F176 HydrophobicContact CD1-CE1 4.16Å; L110-F176 HydrophobicContact CD1-CZ 3.81Å; L110-L180 HydrophobicContact CB-CD2 4.3Å; L110-L180 HydrophobicContact CD1-CD2 4.29Å; L110-L184 HydrophobicContact CD2-CD1 4.13Å; L110-A231 HydrophobicContact CD2-CB 4.06Å; L110-A231 HydrophobicContact CG-CB 4.21Å; L110-N232 HydrophobicContact CD2-CB 4.49Å; L110-L235 HydrophobicContact CD1-CD2 3.73Å; L110-L235 HydrophobicContact CD2-CB 4.43Å; L110-L235 HydrophobicContact CD2-CD2 4.12Å
111T91.9Very high84.1Confident60 Ų6058 Ų5837%0.36832%0.324SS..  trans-115.1167.9175.377.20000111.8P109 E113 G114 I115P109-T111 PolarHBondContact O-N 3.04Å; T111-E113 VanDerWaalsContact C-N 3.33Å; T111-E113 VanDerWaalsContact CB-OE2 3.27Å; T111-E113 WeakPolarHBondContact CB-OE2 3.5Å; T111-E113 PolarHBondContact O-N 2.97Å; T111-E113 PolarHBondContact OG1-OE2 3.35Å; T111-G114 PolarHBondContact O-N 3.33Å; T111-G114 PolarHBondContact OG1-N 3.03Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 2.92Å
112E90.3Very high86.9Confident159 Ų15951.9 Ų51.974%0.74330%0.296SS*.Hα-helixtrans-63.6-38.2177.5-65.3-175175.900112I115 A116E112-I115 PolarHBondContact O-N 3.06Å; E112-A116 PolarHBondContact O-N 3.17Å
113E89.2Confident89.4Confident124 Ų12447.5 Ų47.558%0.57928%0.278SS*.Hα-helixtrans-64.8-42.7175.3-56.977.4-169.700111.1T111 I115 A116 Q117T111-E113 VanDerWaalsContact C-N 3.33Å; T111-E113 VanDerWaalsContact CB-OE2 3.27Å; T111-E113 WeakPolarHBondContact CB-OE2 3.5Å; T111-E113 PolarHBondContact O-N 2.97Å; T111-E113 PolarHBondContact OG1-OE2 3.35Å; E113-I115 VanDerWaalsContact C-N 3.3Å; E113-I115 PolarHBondContact O-N 3.04Å; E113-A116 PolarHBondContact O-N 3.34Å; E113-Q117 WeakPolarHBondContact O-CG 3.31Å; E113-Q117 PolarHBondContact O-N 3.16Å; E113-Q117 VanDerWaalsContact O-N 3.08Å
114G91.8Very high91.5Very high3 Ų346.9 Ų46.93%0.03127%0.267CS..Hα-helixtrans-60.4-41.8174.500000111.8T111 Q117 I118T111-G114 PolarHBondContact O-N 3.33Å; T111-G114 PolarHBondContact OG1-N 3.03Å; G114-Q117 PolarHBondContact O-N 3.49Å; G114-I118 VanDerWaalsContact O-CG1 3.25Å; G114-I118 WeakPolarHBondContact O-CG1 3.45Å; G114-I118 PolarHBondContact O-N 3.38Å; G114-I118 VanDerWaalsContact O-N 3.1Å
115I93.6Very high92.8Very high16 Ų1641.6 Ų41.68%0.08224%0.235CC..Hα-helixtrans-62.2-46.5174.5-67.6168.4000110.5L110 T111 E112 E113 Q117 I118 C119 A231 L235L110-I115 HydrophobicContact CD1-CD1 4.27Å; L110-I115 HydrophobicContact CD1-CG1 3.72Å; L110-I115 HydrophobicContact CD2-CD1 4.35Å; L110-I115 HydrophobicContact CG-CD1 4.15Å; L110-I115 HydrophobicContact CG-CG1 4.15Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 2.92Å; E112-I115 PolarHBondContact O-N 3.06Å; E113-I115 VanDerWaalsContact C-N 3.3Å; E113-I115 PolarHBondContact O-N 3.04Å; I115-Q117 VanDerWaalsContact C-N 3.3Å; I115-Q117 PolarHBondContact O-N 2.98Å; I115-I118 CarbonylContact O-C 3.58Å; I115-I118 PolarHBondContact O-N 3.44Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I115-C119 PolarHBondContact O-N 3.18Å; I115-C119 PolarHBondContact O-SG 3.33Å; I115-A231 HydrophobicContact CD1-CB 3.84Å; I115-A231 WeakPolarHBondContact CD1-O 3.37Å; I115-L235 HydrophobicContact CD1-CB 4.45Å; I115-L235 HydrophobicContact CG1-CB 4.35Å
116A92.8Very high93.4Very high53 Ų5343.8 Ų43.844%0.43825%0.252SS..Hα-helixtrans-58-40.9-179.600000112.6E112 E113 C119E112-A116 PolarHBondContact O-N 3.17Å; E113-A116 PolarHBondContact O-N 3.34Å; A116-C119 WeakPolarHBondContact O-CB 3.22Å; A116-C119 PolarHBondContact O-N 3.19Å
117Q93.3Very high93.8Very high28 Ų2848.5 Ų48.513%0.13127%0.272CS..Hα-helixtrans-69.7-39.4177.6-64.2-66-35.800111.9I105 E113 G114 I115 C119 Q120 L151 G154 T155I105-Q117 HydrophobicContact CD1-CB 3.61Å; I105-Q117 HydrophobicContact CD1-CG 3.39Å; E113-Q117 WeakPolarHBondContact O-CG 3.31Å; E113-Q117 PolarHBondContact O-N 3.16Å; E113-Q117 VanDerWaalsContact O-N 3.08Å; G114-Q117 PolarHBondContact O-N 3.49Å; I115-Q117 VanDerWaalsContact C-N 3.3Å; I115-Q117 PolarHBondContact O-N 2.98Å; Q117-C119 VanDerWaalsContact C-N 3.31Å; Q117-C119 PolarHBondContact O-N 2.75Å; Q117-Q120 WeakPolarHBondContact O-CB 3.44Å; Q117-Q120 PolarHBondContact O-N 2.63Å; Q117-L151 HydrophobicContact CB-CD2 4.17Å; Q117-L151 WeakPolarHBondContact O-CD2 3.38Å; Q117-G154 PolarHBondContact NE2-O 3.5Å; Q117-G154 VanDerWaalsContact NE2-O 3.12Å; Q117-T155 PolarHBondContact OE1-O 3.46Å
118I94.9Very high94.2Very high0 Ų048.1 Ų48.10%026%0.262CS..Hα-helixtrans-71.4-27.8176.4-64.4-63.8000112.2G114 I115 Q120 L121 I122 L173 F176 L235G114-I118 VanDerWaalsContact O-CG1 3.25Å; G114-I118 WeakPolarHBondContact O-CG1 3.45Å; G114-I118 PolarHBondContact O-N 3.38Å; G114-I118 VanDerWaalsContact O-N 3.1Å; I115-I118 CarbonylContact O-C 3.58Å; I115-I118 PolarHBondContact O-N 3.44Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I118-Q120 PolarHBondContact O-N 3.41Å; I118-L121 HydrophobicContact CD1-CD1 4.15Å; I118-L121 WeakPolarHBondContact O-CB 3.39Å; I118-L121 PolarHBondContact O-N 3.05Å; I118-L121 VanDerWaalsContact O-N 3.11Å; I118-I122 HydrophobicContact CG2-CD1 4.19Å; I118-I122 HydrophobicContact CG2-CG1 4.46Å; I118-I122 PolarHBondContact O-N 2.94Å; I118-L173 HydrophobicContact CG2-CD1 3.44Å; I118-L173 VanDerWaalsContact CG2-CD1 3.44Å; I118-F176 HydrophobicContact CB-CE1 4.44Å; I118-F176 HydrophobicContact CD1-CB 3.79Å; I118-F176 HydrophobicContact CD1-CD1 3.79Å; I118-F176 HydrophobicContact CD1-CD2 3.64Å; I118-F176 HydrophobicContact CD1-CE1 4.3Å; I118-F176 HydrophobicContact CD1-CE2 4.17Å; I118-F176 HydrophobicContact CD1-CG 3.43Å; I118-F176 VanDerWaalsContact CD1-CG 3.43Å; I118-F176 HydrophobicContact CD1-CZ 4.46Å; I118-F176 HydrophobicContact CG1-CD1 3.7Å; I118-F176 HydrophobicContact CG1-CD2 3.85Å; I118-F176 HydrophobicContact CG1-CE1 3.69Å; I118-F176 HydrophobicContact CG1-CE2 3.85Å; I118-F176 HydrophobicContact CG1-CG 3.77Å; I118-F176 HydrophobicContact CG1-CZ 3.76Å; I118-F176 HydrophobicContact CG2-CD1 4.22Å; I118-F176 HydrophobicContact CG2-CE1 4.37Å; I118-L235 HydrophobicContact CG2-CD1 4.16Å
119C95.4Very high94.6Very high40 Ų4048.1 Ų48.127%0.2726%0.258SS..Hα-helixtrans-58.7-35.3172.6-74.60000112.2I115 A116 Q117 L121 I122 E123 L238I115-C119 PolarHBondContact O-N 3.18Å; I115-C119 PolarHBondContact O-SG 3.33Å; A116-C119 WeakPolarHBondContact O-CB 3.22Å; A116-C119 PolarHBondContact O-N 3.19Å; Q117-C119 VanDerWaalsContact C-N 3.31Å; Q117-C119 PolarHBondContact O-N 2.75Å; C119-L121 VanDerWaalsContact C-N 3.3Å; C119-L121 PolarHBondContact O-N 3.04Å; C119-I122 PolarHBondContact O-N 3.01Å; C119-I122 VanDerWaalsContact O-N 3.16Å; C119-E123 WeakPolarHBondContact O-CB 3.4Å; C119-E123 PolarHBondContact O-N 3.22Å; C119-L238 VanDerWaalsContact SG-CD1 3.53Å
120Q95.3Very high94.9Very high38 Ų3848.4 Ų48.418%0.17825%0.251CS..Hα-helixtrans-59.1-42.5175.3-61.6178.453.200111.2Q117 I118 Y124Q117-Q120 WeakPolarHBondContact O-CB 3.44Å; Q117-Q120 PolarHBondContact O-N 2.63Å; I118-Q120 PolarHBondContact O-N 3.41Å; Q120-Y124 WeakPolarHBondContact O-CB 3.5Å; Q120-Y124 PolarHBondContact O-N 3.19Å
121L97.1Very high95.1Very high0 Ų047.8 Ų47.80%025%0.249CC..Hα-helixtrans-65.4-43.6175-58.3-174.3000111.7I118 C119 E123 Y124 L125 L147 L151 L159 A169 L172I118-L121 HydrophobicContact CD1-CD1 4.15Å; I118-L121 WeakPolarHBondContact O-CB 3.39Å; I118-L121 PolarHBondContact O-N 3.05Å; I118-L121 VanDerWaalsContact O-N 3.11Å; C119-L121 VanDerWaalsContact C-N 3.3Å; C119-L121 PolarHBondContact O-N 3.04Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-Y124 PolarHBondContact O-N 3Å; L121-L125 WeakPolarHBondContact O-CB 3.37Å; L121-L125 WeakPolarHBondContact O-CD1 3.41Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 2.84Å; L121-L147 HydrophobicContact CD2-CD1 4.4Å; L121-L147 HydrophobicContact CD2-CD2 4.05Å; L121-L147 HydrophobicContact CD2-CG 4.41Å; L121-L151 HydrophobicContact CD1-CD1 3.85Å; L121-L151 HydrophobicContact CD2-CD1 4.17Å; L121-L151 HydrophobicContact CG-CD1 4.2Å; L121-L151 HydrophobicContact CG-CD2 4.48Å; L121-L159 HydrophobicContact CD2-CD1 4.18Å; L121-A169 HydrophobicContact CD2-CB 3.96Å; L121-L172 HydrophobicContact CD1-CB 4.13Å
122I97.7Very high95.4Very high16 Ų1650.7 Ų50.78%0.08226%0.258CS..Hα-helixtrans-62.3-44179.9-69174.1000110.6I118 C119 L125 S126 L173 L235 L238 L242I118-I122 HydrophobicContact CG2-CD1 4.19Å; I118-I122 HydrophobicContact CG2-CG1 4.46Å; I118-I122 PolarHBondContact O-N 2.94Å; C119-I122 PolarHBondContact O-N 3.01Å; C119-I122 VanDerWaalsContact O-N 3.16Å; I122-L125 PolarHBondContact O-N 2.89Å; I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 3.26Å; I122-L173 HydrophobicContact CG1-CD1 4.26Å; I122-L173 HydrophobicContact CG1-CD2 4.18Å; I122-L235 HydrophobicContact CD1-CD1 4.05Å; I122-L238 HydrophobicContact CD1-CB 3.95Å; I122-L242 HydrophobicContact CB-CD2 4.44Å; I122-L242 HydrophobicContact CG1-CD2 4.28Å; I122-L242 HydrophobicContact CG2-CB 4.31Å; I122-L242 HydrophobicContact CG2-CD2 4.21Å
123E96.8Very high95.7Very high110 Ų11043.1 Ų43.151%0.51422%0.223SC..Hα-helixtrans-63.7-48.8178.7-168.8-172.5150.300111.2C119 L121 L125 S126 K127C119-E123 WeakPolarHBondContact O-CB 3.4Å; C119-E123 PolarHBondContact O-N 3.22Å; L121-E123 VanDerWaalsContact C-N 3.34Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.87Å; E123-S126 WeakPolarHBondContact O-CB 3.24Å; E123-S126 PolarHBondContact O-N 3.47Å; E123-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-OG 2.97Å; E123-K127 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.45Å; E123-K127 IonicContact OE1-NZ 2.73Å; E123-K127 PolarHBondContact OE1-NZ 2.92Å
124Y97.2Very high96.1Very high16 Ų1637.2 Ų37.26%0.06320%0.195CC..Hα-helixtrans-58.8-42.9176.7177.1-120.6000112.3Q120 L121 S126 K127 N128 L159 F164 P166 A169Q120-Y124 WeakPolarHBondContact O-CB 3.5Å; Q120-Y124 PolarHBondContact O-N 3.19Å; L121-Y124 PolarHBondContact O-N 3Å; Y124-S126 VanDerWaalsContact C-N 3.32Å; Y124-S126 PolarHBondContact O-N 3.23Å; Y124-K127 PolarHBondContact O-N 3.3Å; Y124-N128 WeakPolarHBondContact CD2-ND2 3.46Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.27Å; Y124-N128 PolarHBondContact O-N 3.4Å; Y124-N128 PolarHBondContact O-ND2 3.18Å; Y124-L159 VanDerWaalsContact CB-CD1 3.47Å; Y124-L159 HydrophobicContact CD1-CB 4.03Å; Y124-L159 HydrophobicContact CD1-CD1 3.94Å; Y124-L159 HydrophobicContact CD1-CG 4.39Å; Y124-L159 HydrophobicContact CD2-CB 3.53Å; Y124-L159 HydrophobicContact CE1-CB 4.33Å; Y124-L159 HydrophobicContact CE2-CB 3.9Å; Y124-L159 WeakPolarHBondContact CE2-O 3.25Å; Y124-L159 HydrophobicContact CG-CB 3.61Å; Y124-L159 HydrophobicContact CG-CD1 3.74Å; Y124-L159 HydrophobicContact CG-CG 4.23Å; Y124-F164 PolarHBondContact OH-O 3.23Å; Y124-P166 HydrophobicContact CE1-CB 4.39Å; Y124-P166 HydrophobicContact CE1-CG 4.14Å; Y124-A169 HydrophobicContact CD1-CB 3.92Å; Y124-A169 HydrophobicContact CE1-CB 4.3Å
125L97.8Very high96.4Very high0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-66-34.6176.8-69.5167.8000112.4L121 I122 E123 K127 N128 L129 L134 F135 P166 A169 A170 L173 L242L121-L125 WeakPolarHBondContact O-CB 3.37Å; L121-L125 WeakPolarHBondContact O-CD1 3.41Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 2.84Å; I122-L125 PolarHBondContact O-N 2.89Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.87Å; L125-K127 PolarHBondContact O-N 3.22Å; L125-N128 CarbonylContact O-C 3.51Å; L125-N128 PolarHBondContact O-N 2.91Å; L125-L129 WeakPolarHBondContact O-CD2 3Å; L125-L129 PolarHBondContact O-N 3.49Å; L125-L134 HydrophobicContact CD2-CD1 3.92Å; L125-L134 HydrophobicContact CD2-CD2 4.46Å; L125-F135 HydrophobicContact CD1-CE1 3.97Å; L125-F135 HydrophobicContact CD1-CZ 4Å; L125-P166 HydrophobicContact CD2-CB 4.44Å; L125-P166 WeakPolarHBondContact CD2-O 2.87Å; L125-A169 HydrophobicContact CD1-CB 4.43Å; L125-A169 HydrophobicContact CD2-CB 4.11Å; L125-A169 HydrophobicContact CG-CB 4.19Å; L125-A170 HydrophobicContact CD2-CB 3.9Å; L125-L173 HydrophobicContact CD1-CD2 3.98Å; L125-L242 HydrophobicContact CB-CD1 3.88Å; L125-L242 HydrophobicContact CB-CD2 4Å; L125-L242 HydrophobicContact CD1-CD2 4.03Å
126S97.3Very high96.5Very high57 Ų5742.5 Ų42.540%0.39921%0.213SC..Hα-helixtrans-65-26.6177.979.10000113.1I122 E123 Y124 L129I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 3.26Å; E123-S126 WeakPolarHBondContact O-CB 3.24Å; E123-S126 PolarHBondContact O-N 3.47Å; E123-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-OG 2.97Å; Y124-S126 VanDerWaalsContact C-N 3.32Å; Y124-S126 PolarHBondContact O-N 3.23Å; S126-L129 WeakPolarHBondContact O-CD1 3.43Å; S126-L129 WeakPolarHBondContact O-CG 3.44Å
127K96.6Very high96.8Very high111 Ų11142.7 Ų42.748%0.48321%0.208SC..Hα-helixtrans-81.4-22.4173.5-62.8170.8-171.4166.30112.2E123 Y124 L125 E160E123-K127 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.45Å; E123-K127 IonicContact OE1-NZ 2.73Å; E123-K127 PolarHBondContact OE1-NZ 2.92Å; Y124-K127 PolarHBondContact O-N 3.3Å; L125-K127 PolarHBondContact O-N 3.22Å; K127-E160 WeakPolarHBondContact CD-OE1 3.16Å; K127-E160 IonicContact NZ-OE1 3.42Å
128N97.1Very high96.9Very high27 Ų2745.9 Ų45.914%0.14423%0.232CC..  trans-112.633.6-171-71.6-73.3000114.2Y124 L125 H130 V131 P166Y124-N128 WeakPolarHBondContact CD2-ND2 3.46Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.27Å; Y124-N128 PolarHBondContact O-N 3.4Å; Y124-N128 PolarHBondContact O-ND2 3.18Å; L125-N128 CarbonylContact O-C 3.51Å; L125-N128 PolarHBondContact O-N 2.91Å; N128-H130 PolarHBondContact O-N 3.12Å; N128-H130 VanDerWaalsContact O-N 3.1Å; N128-V131 HydrophobicContact CB-CG2 4.43Å; N128-V131 WeakPolarHBondContact O-CG2 3.47Å; N128-V131 PolarHBondContact O-N 2.63Å; N128-P166 HydrophobicContact CB-CB 4Å; N128-P166 HydrophobicContact CB-CG 3.72Å
129L97.6Very high96.9Very high25 Ų2546.6 Ų46.613%0.13124%0.239CC..THydrogen-bonded Turntrans-66.9-12.2-176-61.1174.5000115L125 S126 V131 L242 H245 T246 N253L125-L129 WeakPolarHBondContact O-CD2 3Å; L125-L129 PolarHBondContact O-N 3.49Å; S126-L129 WeakPolarHBondContact O-CD1 3.43Å; S126-L129 WeakPolarHBondContact O-CG 3.44Å; L129-V131 VanDerWaalsContact C-N 3.35Å; L129-L242 HydrophobicContact CD2-CD1 3.96Å; L129-H245 HydrophobicContact CD1-CB 3.72Å; L129-T246 WeakPolarHBondContact CD2-OG1 3.04Å; L129-N253 WeakPolarHBondContact O-CB 3.33Å; L129-N253 PolarHBondContact O-ND2 3.4Å
130H96.6Very high97Very high100 Ų10049.1 Ų49.146%0.46325%0.247SC..THydrogen-bonded Turntrans-79.8-16-177.262.1-85.4000113.4N128 E132 M252N128-H130 PolarHBondContact O-N 3.12Å; N128-H130 VanDerWaalsContact O-N 3.1Å; H130-E132 PolarHBondContact O-N 2.95Å; H130-M252 HydrophobicContact CB-CE 3.62Å; H130-M252 HydrophobicContact CB-SD 4.09Å
131V97.4Very high97Very high20 Ų2051.7 Ų51.712%0.12127%0.269CS..SBendtrans-61.8124-175.8174.50000111.4N128 L129 G133 L134 P166 N253N128-V131 HydrophobicContact CB-CG2 4.43Å; N128-V131 WeakPolarHBondContact O-CG2 3.47Å; N128-V131 PolarHBondContact O-N 2.63Å; L129-V131 VanDerWaalsContact C-N 3.35Å; V131-G133 PolarHBondContact O-N 3.48Å; V131-L134 HydrophobicContact CB-CD1 4.29Å; V131-L134 HydrophobicContact CG1-CD1 4.36Å; V131-L134 PolarHBondContact O-N 2.67Å; V131-P166 HydrophobicContact CG2-CB 3.96Å; V131-P166 HydrophobicContact CG2-CG 3.9Å; V131-N253 WeakPolarHBondContact O-CB 3.25Å
132E97.4Very high97Very high122 Ų12258.1 Ų58.157%0.5730%0.302SS*.THydrogen-bonded Turntrans-63.2130.2-179-172.3172.5167.300112.3H130 L134 K254H130-E132 PolarHBondContact O-N 2.95Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.74Å; E132-K254 HydrophobicContact CG-CG 4.01Å
133G96.3Very high96.9Very high0 Ų061.7 Ų61.70%032%0.315CS..THydrogen-bonded Turntrans6727.7179.400000113.7V131 F135 R136 V137 N253V131-G133 PolarHBondContact O-N 3.48Å; G133-F135 PolarHBondContact O-N 3.18Å; G133-R136 WeakPolarHBondContact O-CA 3.36Å; G133-R136 VanDerWaalsContact O-CB 3.32Å; G133-R136 WeakPolarHBondContact O-CB 3.47Å; G133-R136 PolarHBondContact O-N 3.1Å; G133-V137 PolarHBondContact O-N 3.3Å; G133-N253 PolarHBondContact N-O 2.94Å
134L97.6Very high96.9Very high0 Ų057.7 Ų57.70%030%0.296CS..THydrogen-bonded Turntrans-49.9134.4175.7-167.465.3000111L125 V131 E132 R136 P166 A170 T246 M255L125-L134 HydrophobicContact CD2-CD1 3.92Å; L125-L134 HydrophobicContact CD2-CD2 4.46Å; V131-L134 HydrophobicContact CB-CD1 4.29Å; V131-L134 HydrophobicContact CG1-CD1 4.36Å; V131-L134 PolarHBondContact O-N 2.67Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.74Å; L134-R136 PolarHBondContact O-N 2.93Å; L134-R136 VanDerWaalsContact O-N 3.08Å; L134-P166 HydrophobicContact CD1-CB 4.17Å; L134-A170 HydrophobicContact CD1-CB 3.94Å; L134-A170 HydrophobicContact CG-CB 4.47Å; L134-T246 HydrophobicContact CD2-CG2 4.28Å; L134-M255 WeakPolarHBondContact O-CG 3.37Å
135F98Very high96.7Very high0 Ų059.7 Ų59.70%032%0.316CS..THydrogen-bonded Turntrans67.5-17.9-169.3-52.9-74.2000116.5L125 G133 A170 L173 K174 L242 L243 T246 L260 M263 F264L125-F135 HydrophobicContact CD1-CE1 3.97Å; L125-F135 HydrophobicContact CD1-CZ 4Å; G133-F135 PolarHBondContact O-N 3.18Å; F135-A170 HydrophobicContact CD1-CB 3.54Å; F135-A170 HydrophobicContact CE1-CB 3.72Å; F135-A170 HydrophobicContact CG-CB 4.2Å; F135-L173 HydrophobicContact CE1-CD2 4.03Å; F135-L173 HydrophobicContact CZ-CD2 4.45Å; F135-K174 HydrophobicContact CB-CD 4.47Å; F135-K174 HydrophobicContact CD1-CG 4.44Å; F135-K174 WeakPolarHBondContact O-CE 3.43Å; F135-K174 PolarHBondContact O-NZ 2.62Å; F135-L242 HydrophobicContact CZ-CD2 3.85Å; F135-L242 HydrophobicContact CZ-CG 4.3Å; F135-L243 HydrophobicContact CD2-CD2 4.29Å; F135-L243 HydrophobicContact CE2-CD2 3.97Å; F135-L243 HydrophobicContact CZ-CD2 4.33Å; F135-T246 HydrophobicContact CD2-CG2 4.36Å; F135-T246 HydrophobicContact CE2-CG2 4.25Å; F135-L260 HydrophobicContact CB-CD2 4.33Å; F135-L260 HydrophobicContact CD2-CD2 3.68Å; F135-L260 HydrophobicContact CE2-CD2 4.49Å; F135-L260 HydrophobicContact CG-CD2 4.38Å; F135-M263 HydrophobicContact CB-CE 3.47Å; F135-M263 VanDerWaalsContact CB-CE 3.47Å; F135-M263 WeakPolarHBondContact O-CE 3.2Å; F135-F264 HydrophobicContact CB-CE2 3.98Å; F135-F264 AromaticContact CD1-CE2 3.71Å; F135-F264 HydrophobicContact CD1-CE2 3.71Å; F135-F264 AromaticContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD1-CZ 3.49Å; F135-F264 VanDerWaalsContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD2-CE2 4.14Å; F135-F264 HydrophobicContact CE1-CE2 4.23Å; F135-F264 AromaticContact CE1-CZ 3.7Å; F135-F264 HydrophobicContact CE1-CZ 3.7Å; F135-F264 AromaticContact CG-CE2 3.67Å; F135-F264 HydrophobicContact CG-CE2 3.67Å; F135-F264 AromaticContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CZ-CZ 4.28Å
136R97.4Very high96.6Very high130 Ų13061.7 Ų61.749%0.49133%0.333SS..THydrogen-bonded Turntrans-87.9-47.7176.8-177.8-177.468.5168.8-0.8111.8G133 L134 M255 M263G133-R136 WeakPolarHBondContact O-CA 3.36Å; G133-R136 VanDerWaalsContact O-CB 3.32Å; G133-R136 WeakPolarHBondContact O-CB 3.47Å; G133-R136 PolarHBondContact O-N 3.1Å; L134-R136 PolarHBondContact O-N 2.93Å; L134-R136 VanDerWaalsContact O-N 3.08Å; R136-M255 HydrophobicContact CB-CE 4Å; R136-M255 HydrophobicContact CB-SD 3.84Å; R136-M263 WeakPolarHBondContact CA-SD 3.32Å; R136-M263 HydrophobicContact CB-CE 3.96Å; R136-M263 HydrophobicContact CB-SD 3.74Å; R136-M263 HydrophobicContact CG-SD 4.22Å
137V97.3Very high96.5Very high56 Ų5659 Ų5934%0.33931%0.314SS..SBendtrans-77.3125179.1-179.70000108.6G133G133-V137 PolarHBondContact O-N 3.3Å
138P95.7Very high96.4Very high96 Ų9656.9 Ų56.962%0.62330%0.303SS*.  trans-67.8145.9175.329.4-34.1000110.5
139G95.5Very high96.3Very high14 Ų1461.5 Ų61.514%0.14432%0.323CS..  trans-72.6-176.3171.300000113.1Q144 D168 T171G139-Q144 VanDerWaalsContact CA-NE2 3.32Å; G139-Q144 PolarHBondContact O-NE2 3.01Å; G139-D168 WeakPolarHBondContact CA-OD1 3.26Å; G139-T171 PolarHBondContact N-OG1 3.24Å; G139-T171 VanDerWaalsContact N-OG1 3.08Å
140H97Very high96Very high94 Ų9463.2 Ų63.244%0.43533%0.331SS..  trans-83123.2173.2-169.6-84000111.4L142 R143 Q144 D168H140-L142 PolarHBondContact ND1-N 2.95Å; H140-L142 PolarHBondContact O-N 3.31Å; H140-R143 HydrophobicContact CB-CB 4.5Å; H140-R143 VanDerWaalsContact CB-CZ 3.47Å; H140-R143 VanDerWaalsContact CB-NH2 3.29Å; H140-R143 PolarHBondContact O-N 3.09Å; H140-R143 VanDerWaalsContact O-N 3.15Å; H140-Q144 WeakPolarHBondContact O-CG 3.45Å; H140-Q144 PolarHBondContact O-N 3.46Å; H140-Q144 PolarHBondContact O-NE2 3.37Å; H140-D168 PolarHBondContact N-OD1 3.03Å
141S95.6Very high95.8Very high91 Ų9158.5 Ų58.564%0.63631%0.309SS*.Hα-helixtrans-59.2-39.1-170-50.90000114.3Q144 A145S141-Q144 PolarHBondContact O-N 3.44Å; S141-A145 PolarHBondContact O-N 3.36Å
142L96.3Very high95.5Very high135 Ų13558.3 Ų58.371%0.70731%0.308SS*.Hα-helixtrans-65.9-39.7178.8-65.9179.1000112.4H140 A145 A146H140-L142 PolarHBondContact ND1-N 2.95Å; H140-L142 PolarHBondContact O-N 3.31Å; L142-A145 PolarHBondContact O-N 3.16Å; L142-A146 PolarHBondContact O-N 3.01Å; L142-A146 VanDerWaalsContact O-N 3.11Å
143R96.4Very high95.1Very high91 Ų9157.7 Ų57.734%0.34331%0.309SS..Hα-helixtrans-71.8-37.6178.7-67.8-164.7-58.4-105.50.6111.1H140 A145 A146 L147 D163 F164 D168H140-R143 HydrophobicContact CB-CB 4.5Å; H140-R143 VanDerWaalsContact CB-CZ 3.47Å; H140-R143 VanDerWaalsContact CB-NH2 3.29Å; H140-R143 PolarHBondContact O-N 3.09Å; H140-R143 VanDerWaalsContact O-N 3.15Å; R143-A145 VanDerWaalsContact C-N 3.32Å; R143-A145 PolarHBondContact O-N 3.45Å; R143-A146 PolarHBondContact O-N 3.03Å; R143-L147 VanDerWaalsContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CB 3.2Å; R143-L147 PolarHBondContact O-N 3.25Å; R143-D163 WeakPolarHBondContact CD-O 3.07Å; R143-F164 HydrophobicContact CB-CD1 4.09Å; R143-F164 HydrophobicContact CB-CE1 4.35Å; R143-F164 WeakPolarHBondContact O-CE1 3.25Å; R143-D168 IonicContact CZ-OD2 3.4Å; R143-D168 IonicContact NE-OD1 3.92Å; R143-D168 IonicContact NE-OD2 2.71Å; R143-D168 PolarHBondContact NE-OD2 3.46Å; R143-D168 IonicContact NH2-OD1 3.49Å; R143-D168 PolarHBondContact NH2-OD1 3.33Å; R143-D168 IonicContact NH2-OD2 3.18Å; R143-D168 PolarHBondContact NH2-OD2 3.48Å
144Q96Very high94.6Very high27 Ų2759.6 Ų59.613%0.12633%0.328CS..Hα-helixtrans-60.7-40.8171.4-70.4171.859.300112.3G139 H140 S141 R148 D168 L172G139-Q144 VanDerWaalsContact CA-NE2 3.32Å; G139-Q144 PolarHBondContact O-NE2 3.01Å; H140-Q144 WeakPolarHBondContact O-CG 3.45Å; H140-Q144 PolarHBondContact O-N 3.46Å; H140-Q144 PolarHBondContact O-NE2 3.37Å; S141-Q144 PolarHBondContact O-N 3.44Å; Q144-R148 WeakPolarHBondContact O-CB 3.21Å; Q144-R148 PolarHBondContact O-N 3.36Å; Q144-D168 HydrophobicContact CG-CB 4.02Å; Q144-L172 HydrophobicContact CB-CD2 4.16Å; Q144-L172 HydrophobicContact CB-CG 4.25Å; Q144-L172 HydrophobicContact CG-CG 4.34Å
145A94.9Very high94Very high58 Ų5862.6 Ų62.648%0.47935%0.346SS..Hα-helixtrans-63.7-46.6177.500000111.6S141 L142 R143 R148 E149S141-A145 PolarHBondContact O-N 3.36Å; L142-A145 PolarHBondContact O-N 3.16Å; R143-A145 VanDerWaalsContact C-N 3.32Å; R143-A145 PolarHBondContact O-N 3.45Å; A145-R148 PolarHBondContact O-N 3.14Å; A145-E149 PolarHBondContact O-N 3.02Å
146A95Very high93.5Very high42 Ų4271 Ų7135%0.34739%0.386SS..Hα-helixtrans-61.3-48.7175.900000111.9L142 R143 R148 E149 M150 F164L142-A146 PolarHBondContact O-N 3.01Å; L142-A146 VanDerWaalsContact O-N 3.11Å; R143-A146 PolarHBondContact O-N 3.03Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.07Å; A146-E149 WeakPolarHBondContact O-CB 3.38Å; A146-E149 PolarHBondContact O-N 3.04Å; A146-E149 VanDerWaalsContact O-N 3.12Å; A146-M150 WeakPolarHBondContact O-CG 3.45Å; A146-M150 PolarHBondContact O-N 3.04Å; A146-F164 HydrophobicContact CB-CE1 4.38Å
147L95.6Very high93.2Very high0 Ų065.5 Ų65.50%037%0.366CS..Hα-helixtrans-61.3-39.7178.6-178.253.6000111.7L121 R143 E149 M150 L151 I157 L159 F164 A169 L172L121-L147 HydrophobicContact CD2-CD1 4.4Å; L121-L147 HydrophobicContact CD2-CD2 4.05Å; L121-L147 HydrophobicContact CD2-CG 4.41Å; R143-L147 VanDerWaalsContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CB 3.2Å; R143-L147 PolarHBondContact O-N 3.25Å; L147-E149 PolarHBondContact O-N 3.23Å; L147-M150 PolarHBondContact O-N 3.41Å; L147-L151 HydrophobicContact CG-CD1 4.36Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.08Å; L147-I157 HydrophobicContact CD1-CD1 3.48Å; L147-I157 VanDerWaalsContact CD1-CD1 3.48Å; L147-I157 HydrophobicContact CD1-CG2 4.05Å; L147-L159 HydrophobicContact CD1-CD2 3.88Å; L147-L159 HydrophobicContact CD2-CD2 4.34Å; L147-F164 HydrophobicContact CB-CD1 3.85Å; L147-F164 HydrophobicContact CB-CE1 3.6Å; L147-F164 HydrophobicContact CB-CZ 4.17Å; L147-F164 HydrophobicContact CD1-CE2 4.47Å; L147-F164 HydrophobicContact CD1-CZ 4.44Å; L147-F164 HydrophobicContact CD2-CD1 4.1Å; L147-F164 HydrophobicContact CD2-CG 4.28Å; L147-F164 HydrophobicContact CG-CD1 4.39Å; L147-F164 HydrophobicContact CG-CE1 4.46Å; L147-A169 HydrophobicContact CD2-CB 4.43Å; L147-L172 HydrophobicContact CB-CD1 3.65Å; L147-L172 HydrophobicContact CD2-CD1 3.68Å; L147-L172 HydrophobicContact CG-CD1 3.5Å; L147-L172 VanDerWaalsContact CG-CD1 3.5Å
148R94.8Very high92.8Very high67 Ų6767.7 Ų67.725%0.25338%0.375SS..Hα-helixtrans-63.1-40174.6179.8178.7177.6120-1.6112.4F106 Q144 A145 A146 N152 L172 E179F106-R148 HydrophobicContact CD2-CG 3.96Å; F106-R148 HydrophobicContact CE1-CG 4.47Å; F106-R148 HydrophobicContact CE2-CG 3.83Å; F106-R148 HydrophobicContact CG-CG 4.34Å; F106-R148 HydrophobicContact CZ-CG 4.1Å; Q144-R148 WeakPolarHBondContact O-CB 3.21Å; Q144-R148 PolarHBondContact O-N 3.36Å; A145-R148 PolarHBondContact O-N 3.14Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.07Å; R148-N152 WeakPolarHBondContact O-CB 3.33Å; R148-N152 PolarHBondContact O-N 2.98Å; R148-N152 PolarHBondContact O-ND2 3.05Å; R148-L172 HydrophobicContact CB-CD1 4.29Å; R148-L172 HydrophobicContact CB-CD2 4.01Å; R148-E179 IonicContact CZ-OE1 3.63Å; R148-E179 IonicContact CZ-OE2 3.69Å; R148-E179 VanDerWaalsContact NH1-CD 3.34Å; R148-E179 IonicContact NH1-OE1 3.8Å; R148-E179 PolarHBondContact NH1-OE1 3.33Å; R148-E179 IonicContact NH1-OE2 3.99Å; R148-E179 PolarHBondContact NH1-OE2 2.96Å; R148-E179 IonicContact NH2-OE1 3.54Å; R148-E179 PolarHBondContact NH2-OE1 2.96Å; R148-E179 IonicContact NH2-OE2 2.75Å; R148-E179 PolarHBondContact NH2-OE2 2.84Å
149E93.1Very high92.5Very high124 Ų12463.5 Ų63.558%0.57935%0.348SS*.Hα-helixtrans-64.5-46177.1-174.1177.4178.400111.1A145 A146 L147 L151 N152 N153A145-E149 PolarHBondContact O-N 3.02Å; A146-E149 WeakPolarHBondContact O-CB 3.38Å; A146-E149 PolarHBondContact O-N 3.04Å; A146-E149 VanDerWaalsContact O-N 3.12Å; L147-E149 PolarHBondContact O-N 3.23Å; E149-L151 PolarHBondContact O-N 3.48Å; E149-N152 PolarHBondContact O-N 2.97Å; E149-N153 VanDerWaalsContact O-CG 3.32Å; E149-N153 PolarHBondContact O-N 3.44Å; E149-N153 PolarHBondContact O-ND2 3.27Å
150M92.8Very high92Very high61 Ų6168 Ų6830%0.337%0.365SS..Hα-helixtrans-58.2-46176.4-65.5173.975.800111.9A146 L147 N152 N153 G154 T155 I157 F164A146-M150 WeakPolarHBondContact O-CG 3.45Å; A146-M150 PolarHBondContact O-N 3.04Å; L147-M150 PolarHBondContact O-N 3.41Å; M150-N152 PolarHBondContact O-N 3.48Å; M150-N153 PolarHBondContact O-N 3.39Å; M150-G154 PolarHBondContact O-N 3.34Å; M150-T155 PolarHBondContact O-N 3.12Å; M150-I157 HydrophobicContact CB-CD1 3.5Å; M150-I157 HydrophobicContact CB-CG1 4.11Å; M150-I157 HydrophobicContact CE-CB 4.33Å; M150-I157 HydrophobicContact CE-CD1 4.41Å; M150-I157 HydrophobicContact CE-CG1 4.08Å; M150-I157 HydrophobicContact CE-CG2 3.75Å; M150-I157 HydrophobicContact SD-CG2 4.42Å; M150-F164 HydrophobicContact SD-CE2 4.15Å; M150-F164 HydrophobicContact SD-CZ 3.83Å
151L92.6Very high91.5Very high0 Ų067 Ų670%037%0.366CS..Hα-helixtrans-61-44.7175.8-70.1167.5000111.7I105 F106 Q117 L121 L147 E149 N153 G154 I157 L172I105-L151 WeakPolarHBondContact CD1-O 3.2Å; F106-L151 HydrophobicContact CE2-CB 4.02Å; F106-L151 HydrophobicContact CE2-CD1 4.02Å; F106-L151 HydrophobicContact CZ-CD1 4.03Å; Q117-L151 HydrophobicContact CB-CD2 4.17Å; Q117-L151 WeakPolarHBondContact O-CD2 3.38Å; L121-L151 HydrophobicContact CD1-CD1 3.85Å; L121-L151 HydrophobicContact CD2-CD1 4.17Å; L121-L151 HydrophobicContact CG-CD1 4.2Å; L121-L151 HydrophobicContact CG-CD2 4.48Å; L147-L151 HydrophobicContact CG-CD1 4.36Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.08Å; E149-L151 PolarHBondContact O-N 3.48Å; L151-N153 PolarHBondContact O-N 3.14Å; L151-G154 PolarHBondContact O-N 3.19Å; L151-I157 HydrophobicContact CD2-CD1 3.74Å; L151-I157 HydrophobicContact CG-CD1 3.8Å; L151-L172 HydrophobicContact CD1-CD1 4.34Å
152N90Very high91.1Very high16 Ų1665.6 Ų65.69%0.08637%0.365CS..Hα-helixtrans-64.6-26.6179.2-82.9-51.9000113.6G103 I105 F106 R148 E149 M150 G154G103-N152 WeakPolarHBondContact CA-OD1 3.26Å; I105-N152 PolarHBondContact N-OD1 3.3Å; F106-N152 WeakPolarHBondContact CD2-OD1 3.35Å; F106-N152 PolarHBondContact N-OD1 3.43Å; R148-N152 WeakPolarHBondContact O-CB 3.33Å; R148-N152 PolarHBondContact O-N 2.98Å; R148-N152 PolarHBondContact O-ND2 3.05Å; E149-N152 PolarHBondContact O-N 2.97Å; M150-N152 PolarHBondContact O-N 3.48Å; N152-G154 VanDerWaalsContact C-N 3.25Å
153N88.5Confident90.8Very high110 Ų11064.5 Ų64.559%0.58836%0.36SS*.THydrogen-bonded Turntrans-81.3-6.7174.7-67.3-23.1000112.7E149 M150 L151 T155E149-N153 VanDerWaalsContact O-CG 3.32Å; E149-N153 PolarHBondContact O-N 3.44Å; E149-N153 PolarHBondContact O-ND2 3.27Å; M150-N153 PolarHBondContact O-N 3.39Å; L151-N153 PolarHBondContact O-N 3.14Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 3.08Å
154G85.9Confident90.7Very high39 Ų3961 Ų6140%0.40235%0.348SS..THydrogen-bonded Turntrans73.817.7-17800000113.7Q117 M150 L151 N152Q117-G154 PolarHBondContact NE2-O 3.5Å; Q117-G154 VanDerWaalsContact NE2-O 3.12Å; M150-G154 PolarHBondContact O-N 3.34Å; L151-G154 PolarHBondContact O-N 3.19Å; N152-G154 VanDerWaalsContact C-N 3.25Å
155T86Confident90.8Very high64 Ų6463.6 Ų63.639%0.39336%0.359SS..  trans-70140.7-177.3-50.10000110.6Q117 M150 N153 I157Q117-T155 PolarHBondContact OE1-O 3.46Å; M150-T155 PolarHBondContact O-N 3.12Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 3.08Å; T155-I157 WeakPolarHBondContact O-CG1 3.41Å; T155-I157 PolarHBondContact O-N 3.32Å
156E87.6Confident90.9Very high176 Ų17661.2 Ų61.282%0.82234%0.339SS*.  trans-73.3121166.6-171.9171.4-164.100109.2
157I90.4Very high91Very high14 Ų1459.9 Ų59.97%0.07233%0.326CS..  trans-106.1117.5-170-47.7-174000109.1L147 M150 L151 T155 L159 F164L147-I157 HydrophobicContact CD1-CD1 3.48Å; L147-I157 VanDerWaalsContact CD1-CD1 3.48Å; L147-I157 HydrophobicContact CD1-CG2 4.05Å; M150-I157 HydrophobicContact CB-CD1 3.5Å; M150-I157 HydrophobicContact CB-CG1 4.11Å; M150-I157 HydrophobicContact CE-CB 4.33Å; M150-I157 HydrophobicContact CE-CD1 4.41Å; M150-I157 HydrophobicContact CE-CG1 4.08Å; M150-I157 HydrophobicContact CE-CG2 3.75Å; M150-I157 HydrophobicContact SD-CG2 4.42Å; L151-I157 HydrophobicContact CD2-CD1 3.74Å; L151-I157 HydrophobicContact CG-CD1 3.8Å; T155-I157 WeakPolarHBondContact O-CG1 3.41Å; T155-I157 PolarHBondContact O-N 3.32Å; I157-L159 HydrophobicContact CB-CG 4.32Å; I157-L159 HydrophobicContact CG2-CD2 3.69Å; I157-L159 HydrophobicContact CG2-CG 3.87Å; I157-L159 PolarHBondContact O-N 2.8Å; I157-F164 HydrophobicContact CG2-CE2 4.33Å
158D88.9Confident91.1Very high102 Ų10259.9 Ų59.955%0.54533%0.326SS..  trans-7890.3169.1-172.43000110.4E160 T161D158-E160 PolarHBondContact O-N 3.44Å; D158-E160 WeakPolarHBondContact OD1-CB 3.24Å; D158-E160 PolarHBondContact OD1-N 3.17Å; D158-E160 VanDerWaalsContact OD1-N 3.11Å; D158-T161 HydrophobicContact CB-CG2 3.97Å; D158-T161 WeakPolarHBondContact O-CG2 3.49Å; D158-T161 PolarHBondContact O-OG1 3.22Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.45Å
159L89.8Confident91.2Very high8 Ų856.7 Ų56.74%0.04231%0.314CS..G310 helixtrans-75.5-8.4179.5-67.3168.3000113L121 Y124 L147 I157 F164L121-L159 HydrophobicContact CD2-CD1 4.18Å; Y124-L159 VanDerWaalsContact CB-CD1 3.47Å; Y124-L159 HydrophobicContact CD1-CB 4.03Å; Y124-L159 HydrophobicContact CD1-CD1 3.94Å; Y124-L159 HydrophobicContact CD1-CG 4.39Å; Y124-L159 HydrophobicContact CD2-CB 3.53Å; Y124-L159 HydrophobicContact CE1-CB 4.33Å; Y124-L159 HydrophobicContact CE2-CB 3.9Å; Y124-L159 WeakPolarHBondContact CE2-O 3.25Å; Y124-L159 HydrophobicContact CG-CB 3.61Å; Y124-L159 HydrophobicContact CG-CD1 3.74Å; Y124-L159 HydrophobicContact CG-CG 4.23Å; L147-L159 HydrophobicContact CD1-CD2 3.88Å; L147-L159 HydrophobicContact CD2-CD2 4.34Å; I157-L159 HydrophobicContact CB-CG 4.32Å; I157-L159 HydrophobicContact CG2-CD2 3.69Å; I157-L159 HydrophobicContact CG2-CG 3.87Å; I157-L159 PolarHBondContact O-N 2.8Å; L159-F164 HydrophobicContact CD2-CB 4.12Å; L159-F164 HydrophobicContact CD2-CD2 3.83Å; L159-F164 HydrophobicContact CD2-CG 4.18Å
160E85.4Confident91.5Very high110 Ų11050.8 Ų50.851%0.51429%0.286SS..G310 helixtrans-86.3-8.3-179.5-55-64.5162.200112.8K127 D158 G162K127-E160 WeakPolarHBondContact CD-OE1 3.16Å; K127-E160 IonicContact NZ-OE1 3.42Å; D158-E160 PolarHBondContact O-N 3.44Å; D158-E160 WeakPolarHBondContact OD1-CB 3.24Å; D158-E160 PolarHBondContact OD1-N 3.17Å; D158-E160 VanDerWaalsContact OD1-N 3.11Å; E160-G162 PolarHBondContact O-N 3.15Å; E160-G162 VanDerWaalsContact O-N 3.16Å
161T86.6Confident91.7Very high73 Ų7348.6 Ų48.645%0.44828%0.277SS..G310 helixtrans-59.9-20.5175.351.70000114.1D158 D163D158-T161 HydrophobicContact CB-CG2 3.97Å; D158-T161 WeakPolarHBondContact O-CG2 3.49Å; D158-T161 PolarHBondContact O-OG1 3.22Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.45Å; T161-D163 VanDerWaalsContact C-N 3.31Å
162G86.3Confident91.9Very high60 Ų6048.8 Ų48.862%0.61928%0.278SS*.SBendtrans85.50.3-17500000114.2E160 F164E160-G162 PolarHBondContact O-N 3.15Å; E160-G162 VanDerWaalsContact O-N 3.16Å; G162-F164 PolarHBondContact O-N 3.17Å
163D89.9Confident92.3Very high112 Ų11248.1 Ų48.160%0.59927%0.274SS*.SBendtrans-66.7-24.8178.8-72.6-25.3000112.7R143 T161R143-D163 WeakPolarHBondContact CD-O 3.07Å; T161-D163 VanDerWaalsContact C-N 3.31Å
164F95.6Very high92.7Very high19 Ų1944.3 Ų44.38%0.08325%0.252CS..SBendtrans-121.9128.3-177.9-60-76.7000111.8Y124 R143 A146 L147 M150 I157 L159 G162Y124-F164 PolarHBondContact OH-O 3.23Å; R143-F164 HydrophobicContact CB-CD1 4.09Å; R143-F164 HydrophobicContact CB-CE1 4.35Å; R143-F164 WeakPolarHBondContact O-CE1 3.25Å; A146-F164 HydrophobicContact CB-CE1 4.38Å; L147-F164 HydrophobicContact CB-CD1 3.85Å; L147-F164 HydrophobicContact CB-CE1 3.6Å; L147-F164 HydrophobicContact CB-CZ 4.17Å; L147-F164 HydrophobicContact CD1-CE2 4.47Å; L147-F164 HydrophobicContact CD1-CZ 4.44Å; L147-F164 HydrophobicContact CD2-CD1 4.1Å; L147-F164 HydrophobicContact CD2-CG 4.28Å; L147-F164 HydrophobicContact CG-CD1 4.39Å; L147-F164 HydrophobicContact CG-CE1 4.46Å; M150-F164 HydrophobicContact SD-CE2 4.15Å; M150-F164 HydrophobicContact SD-CZ 3.83Å; I157-F164 HydrophobicContact CG2-CE2 4.33Å; L159-F164 HydrophobicContact CD2-CB 4.12Å; L159-F164 HydrophobicContact CD2-CD2 3.83Å; L159-F164 HydrophobicContact CD2-CG 4.18Å; G162-F164 PolarHBondContact O-N 3.17Å
165H96.5Very high93.2Very high80 Ų8044.5 Ų44.537%0.3725%0.245SC..  trans-77.5145.4174.4-171.1-88.7000109.9N167 D168H165-N167 PolarHBondContact CE1-ND2 3.02Å; H165-N167 VanDerWaalsContact CE1-ND2 3.27Å; H165-N167 WeakPolarHBondContact ND1-CB 3.19Å; H165-N167 PolarHBondContact ND1-N 3.29Å; H165-N167 VanDerWaalsContact ND1-N 3.13Å; H165-N167 PolarHBondContact O-N 3.03Å; H165-N167 VanDerWaalsContact O-N 3.07Å; H165-D168 WeakPolarHBondContact CB-OD2 3.5Å; H165-D168 PolarHBondContact N-OD2 3.16Å; H165-D168 WeakPolarHBondContact O-CA 3.15Å; H165-D168 WeakPolarHBondContact O-CB 3.36Å; H165-D168 PolarHBondContact O-N 3.4Å
166P97.4Very high93.7Very high9 Ų941.7 Ų41.76%0.05823%0.228CC..Hα-helixtrans-53.6-32.7178.1-3239.2000114.7Y124 L125 N128 V131 L134 D168 A169 A170Y124-P166 HydrophobicContact CE1-CB 4.39Å; Y124-P166 HydrophobicContact CE1-CG 4.14Å; L125-P166 HydrophobicContact CD2-CB 4.44Å; L125-P166 WeakPolarHBondContact CD2-O 2.87Å; N128-P166 HydrophobicContact CB-CB 4Å; N128-P166 HydrophobicContact CB-CG 3.72Å; V131-P166 HydrophobicContact CG2-CB 3.96Å; V131-P166 HydrophobicContact CG2-CG 3.9Å; L134-P166 HydrophobicContact CD1-CB 4.17Å; P166-D168 PolarHBondContact O-N 2.9Å; P166-A169 PolarHBondContact O-N 3.34Å; P166-A170 WeakPolarHBondContact O-CB 3.48Å; P166-A170 PolarHBondContact O-N 3.49Å
167N97.7Very high94.1Very high13 Ų1333.3 Ų33.37%0.0719%0.188CC..Hα-helixtrans-63.4-26.1173.7-68.3-25.5000113.9H165 T171H165-N167 PolarHBondContact CE1-ND2 3.02Å; H165-N167 VanDerWaalsContact CE1-ND2 3.27Å; H165-N167 WeakPolarHBondContact ND1-CB 3.19Å; H165-N167 PolarHBondContact ND1-N 3.29Å; H165-N167 VanDerWaalsContact ND1-N 3.13Å; H165-N167 PolarHBondContact O-N 3.03Å; H165-N167 VanDerWaalsContact O-N 3.07Å; N167-T171 WeakPolarHBondContact O-CB 3.3Å; N167-T171 PolarHBondContact O-N 3.08Å; N167-T171 PolarHBondContact O-OG1 3.24Å
168D97.6Very high94.3Very high0 Ų033.9 Ų33.90%020%0.198CC..Hα-helixtrans-68.5-50.8175.5-53.2-34.1000109.6G139 H140 R143 Q144 H165 P166 A170 T171 L172G139-D168 WeakPolarHBondContact CA-OD1 3.26Å; H140-D168 PolarHBondContact N-OD1 3.03Å; R143-D168 IonicContact CZ-OD2 3.4Å; R143-D168 IonicContact NE-OD1 3.92Å; R143-D168 IonicContact NE-OD2 2.71Å; R143-D168 PolarHBondContact NE-OD2 3.46Å; R143-D168 IonicContact NH2-OD1 3.49Å; R143-D168 PolarHBondContact NH2-OD1 3.33Å; R143-D168 IonicContact NH2-OD2 3.18Å; R143-D168 PolarHBondContact NH2-OD2 3.48Å; Q144-D168 HydrophobicContact CG-CB 4.02Å; H165-D168 WeakPolarHBondContact CB-OD2 3.5Å; H165-D168 PolarHBondContact N-OD2 3.16Å; H165-D168 WeakPolarHBondContact O-CA 3.15Å; H165-D168 WeakPolarHBondContact O-CB 3.36Å; H165-D168 PolarHBondContact O-N 3.4Å; P166-D168 PolarHBondContact O-N 2.9Å; D168-A170 PolarHBondContact O-N 2.98Å; D168-T171 PolarHBondContact O-N 3.33Å; D168-L172 PolarHBondContact O-N 3.44Å
169A97.6Very high94.5Very high0 Ų032.5 Ų32.50%019%0.189CC..Hα-helixtrans-61-43.8174.800000112.1L121 Y124 L125 L147 P166 T171 L172 L173L121-A169 HydrophobicContact CD2-CB 3.96Å; Y124-A169 HydrophobicContact CD1-CB 3.92Å; Y124-A169 HydrophobicContact CE1-CB 4.3Å; L125-A169 HydrophobicContact CD1-CB 4.43Å; L125-A169 HydrophobicContact CD2-CB 4.11Å; L125-A169 HydrophobicContact CG-CB 4.19Å; L147-A169 HydrophobicContact CD2-CB 4.43Å; P166-A169 PolarHBondContact O-N 3.34Å; A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 PolarHBondContact O-N 2.88Å; A169-L172 PolarHBondContact O-N 3.3Å; A169-L173 PolarHBondContact O-N 2.99Å
170A98.1Very high94.6Very high0 Ų032.4 Ų32.40%019%0.188CC..Hα-helixtrans-61.9-3917800000112.3L125 L134 F135 P166 D168 K174L125-A170 HydrophobicContact CD2-CB 3.9Å; L134-A170 HydrophobicContact CD1-CB 3.94Å; L134-A170 HydrophobicContact CG-CB 4.47Å; F135-A170 HydrophobicContact CD1-CB 3.54Å; F135-A170 HydrophobicContact CE1-CB 3.72Å; F135-A170 HydrophobicContact CG-CB 4.2Å; P166-A170 WeakPolarHBondContact O-CB 3.48Å; P166-A170 PolarHBondContact O-N 3.49Å; D168-A170 PolarHBondContact O-N 2.98Å; A170-K174 PolarHBondContact O-N 3.38Å
171T97.8Very high94.9Very high16 Ų1630.2 Ų30.210%0.09818%0.183CC..Hα-helixtrans-68.9-46.2176.8-56.30000110.5G139 N167 D168 A169 L173 K174 V175G139-T171 PolarHBondContact N-OG1 3.24Å; G139-T171 VanDerWaalsContact N-OG1 3.08Å; N167-T171 WeakPolarHBondContact O-CB 3.3Å; N167-T171 PolarHBondContact O-N 3.08Å; N167-T171 PolarHBondContact O-OG1 3.24Å; D168-T171 PolarHBondContact O-N 3.33Å; A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 PolarHBondContact O-N 2.88Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 3.33Å; T171-K174 PolarHBondContact O-N 3.4Å; T171-V175 HydrophobicContact CG2-CG2 4.41Å; T171-V175 WeakPolarHBondContact O-CG2 3.37Å; T171-V175 PolarHBondContact O-N 3.35Å
172L97Very high95.1Very high4 Ų430.1 Ų30.12%0.02118%0.178CC..Hα-helixtrans-63.1-36.8178.2-74.9-178.6000113.5L121 Q144 L147 R148 L151 D168 A169 K174 V175 F176L121-L172 HydrophobicContact CD1-CB 4.13Å; Q144-L172 HydrophobicContact CB-CD2 4.16Å; Q144-L172 HydrophobicContact CB-CG 4.25Å; Q144-L172 HydrophobicContact CG-CG 4.34Å; L147-L172 HydrophobicContact CB-CD1 3.65Å; L147-L172 HydrophobicContact CD2-CD1 3.68Å; L147-L172 HydrophobicContact CG-CD1 3.5Å; L147-L172 VanDerWaalsContact CG-CD1 3.5Å; R148-L172 HydrophobicContact CB-CD1 4.29Å; R148-L172 HydrophobicContact CB-CD2 4.01Å; L151-L172 HydrophobicContact CD1-CD1 4.34Å; D168-L172 PolarHBondContact O-N 3.44Å; A169-L172 PolarHBondContact O-N 3.3Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.47Å; L172-V175 PolarHBondContact O-N 2.86Å; L172-F176 WeakPolarHBondContact O-CB 3.46Å; L172-F176 PolarHBondContact O-N 3.47Å
173L97.9Very high95.4Very high1 Ų127.3 Ų27.31%0.00515%0.149CC..Hα-helixtrans-59.5-44.2175.1179.860.7000111.5I118 I122 L125 F135 A169 T171 F176 L177 L239 L242I118-L173 HydrophobicContact CG2-CD1 3.44Å; I118-L173 VanDerWaalsContact CG2-CD1 3.44Å; I122-L173 HydrophobicContact CG1-CD1 4.26Å; I122-L173 HydrophobicContact CG1-CD2 4.18Å; L125-L173 HydrophobicContact CD1-CD2 3.98Å; F135-L173 HydrophobicContact CE1-CD2 4.03Å; F135-L173 HydrophobicContact CZ-CD2 4.45Å; A169-L173 PolarHBondContact O-N 2.99Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 3.33Å; L173-F176 PolarHBondContact O-N 3.49Å; L173-L177 HydrophobicContact CG-CD1 4.49Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.94Å; L173-L239 HydrophobicContact CD2-CD1 4.1Å; L173-L242 HydrophobicContact CD2-CD2 3.89Å
174K97.1Very high95.7Very high31 Ų3122 Ų2214%0.13512%0.12CC..Hα-helixtrans-64.6-42.4175-68.6-176.1-62171.30111.8F135 A170 T171 L172 L177 G178 F264F135-K174 HydrophobicContact CB-CD 4.47Å; F135-K174 HydrophobicContact CD1-CG 4.44Å; F135-K174 WeakPolarHBondContact O-CE 3.43Å; F135-K174 PolarHBondContact O-NZ 2.62Å; A170-K174 PolarHBondContact O-N 3.38Å; T171-K174 PolarHBondContact O-N 3.4Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.47Å; K174-L177 PolarHBondContact O-N 3.37Å; K174-G178 PolarHBondContact O-N 3.19Å; K174-F264 HydrophobicContact CD-CZ 4.46Å; K174-F264 HydrophobicContact CG-CE1 3.95Å; K174-F264 HydrophobicContact CG-CE2 4.33Å; K174-F264 HydrophobicContact CG-CZ 3.8Å
175V95.6Very high95.8Very high43 Ų4321.1 Ų21.126%0.26112%0.116SC..Hα-helixtrans-61.2-46.2178.2170.30000110.6F106 T171 L172 L177 G178 E179F106-V175 HydrophobicContact CD1-CG1 4.41Å; F106-V175 HydrophobicContact CE1-CG1 4.36Å; T171-V175 HydrophobicContact CG2-CG2 4.41Å; T171-V175 WeakPolarHBondContact O-CG2 3.37Å; T171-V175 PolarHBondContact O-N 3.35Å; L172-V175 PolarHBondContact O-N 2.86Å; V175-L177 PolarHBondContact O-N 2.86Å; V175-G178 PolarHBondContact O-N 3.38Å; V175-E179 HydrophobicContact CG1-CG 4.24Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.35Å; V175-E179 WeakPolarHBondContact O-CB 3.4Å; V175-E179 WeakPolarHBondContact O-CG 3.42Å; V175-E179 PolarHBondContact O-N 3.5Å
176F96.3Very high95.6Very high4 Ų417.8 Ų17.82%0.01810%0.101CC..Hα-helixtrans-54.6-52.8176.1172-100.1000111.6I105 F106 L110 I118 L172 L173 G178 E179 L180 L235I105-F176 HydrophobicContact CG2-CD2 4.17Å; I105-F176 HydrophobicContact CG2-CE2 3.65Å; F106-F176 HydrophobicContact CD1-CB 4.15Å; F106-F176 HydrophobicContact CD1-CD2 4.3Å; F106-F176 HydrophobicContact CE1-CB 3.7Å; F106-F176 HydrophobicContact CE1-CD2 4.4Å; F106-F176 HydrophobicContact CZ-CB 4.34Å; L110-F176 HydrophobicContact CD1-CE1 4.16Å; L110-F176 HydrophobicContact CD1-CZ 3.81Å; I118-F176 HydrophobicContact CB-CE1 4.44Å; I118-F176 HydrophobicContact CD1-CB 3.79Å; I118-F176 HydrophobicContact CD1-CD1 3.79Å; I118-F176 HydrophobicContact CD1-CD2 3.64Å; I118-F176 HydrophobicContact CD1-CE1 4.3Å; I118-F176 HydrophobicContact CD1-CE2 4.17Å; I118-F176 HydrophobicContact CD1-CG 3.43Å; I118-F176 VanDerWaalsContact CD1-CG 3.43Å; I118-F176 HydrophobicContact CD1-CZ 4.46Å; I118-F176 HydrophobicContact CG1-CD1 3.7Å; I118-F176 HydrophobicContact CG1-CD2 3.85Å; I118-F176 HydrophobicContact CG1-CE1 3.69Å; I118-F176 HydrophobicContact CG1-CE2 3.85Å; I118-F176 HydrophobicContact CG1-CG 3.77Å; I118-F176 HydrophobicContact CG1-CZ 3.76Å; I118-F176 HydrophobicContact CG2-CD1 4.22Å; I118-F176 HydrophobicContact CG2-CE1 4.37Å; L172-F176 WeakPolarHBondContact O-CB 3.46Å; L172-F176 PolarHBondContact O-N 3.47Å; L173-F176 PolarHBondContact O-N 3.49Å; F176-G178 VanDerWaalsContact C-N 3.31Å; F176-G178 PolarHBondContact O-N 3Å; F176-E179 PolarHBondContact O-N 2.96Å; F176-L180 HydrophobicContact CE1-CD2 4.16Å; F176-L180 HydrophobicContact CE2-CD2 4.25Å; F176-L180 HydrophobicContact CZ-CD2 3.85Å; F176-L180 PolarHBondContact O-N 3.37Å; F176-L235 HydrophobicContact CE1-CD2 3.82Å
177L96.5Very high95.3Very high0 Ų018.9 Ų18.90%011%0.105CC..Hα-helixtrans-59.9-41.8178.1-66.3167.9000112.1L173 K174 V175 E179 L180 L184 L235 L239 F264 H267 I268L173-L177 HydrophobicContact CG-CD1 4.49Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.94Å; K174-L177 PolarHBondContact O-N 3.37Å; V175-L177 PolarHBondContact O-N 2.86Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 3.24Å; L177-L180 HydrophobicContact CD2-CD1 4.35Å; L177-L180 PolarHBondContact O-N 2.93Å; L177-L184 HydrophobicContact CD2-CD2 3.95Å; L177-L235 HydrophobicContact CD2-CD2 4.11Å; L177-L239 HydrophobicContact CD1-CD1 4.13Å; L177-L239 HydrophobicContact CD1-CD2 3.71Å; L177-L239 HydrophobicContact CD2-CD2 4.39Å; L177-F264 HydrophobicContact CD1-CD1 3.96Å; L177-F264 HydrophobicContact CD1-CE1 3.76Å; L177-H267 HydrophobicContact CB-CB 3.96Å; L177-I268 HydrophobicContact CD1-CG2 4.06Å
178G94Very high95Very high27 Ų2721.9 Ų21.928%0.27812%0.116SC..Hα-helixtrans-65.5-32.5177.800000113.8K174 V175 F176 K272K174-G178 PolarHBondContact O-N 3.19Å; V175-G178 PolarHBondContact O-N 3.38Å; F176-G178 VanDerWaalsContact C-N 3.31Å; F176-G178 PolarHBondContact O-N 3Å; G178-K272 PolarHBondContact O-NZ 3.43Å
179E93.8Very high94.8Very high73 Ų7322 Ų2234%0.34112%0.116SC..Hα-helixtrans-86.8-10.9-178.9-72.9-179.1-170.100113.9F106 G107 R148 V175 F176 L177F106-E179 WeakPolarHBondContact CB-OE2 3.49Å; G107-E179 WeakPolarHBondContact CA-O 3.38Å; R148-E179 IonicContact CZ-OE1 3.63Å; R148-E179 IonicContact CZ-OE2 3.69Å; R148-E179 VanDerWaalsContact NH1-CD 3.34Å; R148-E179 IonicContact NH1-OE1 3.8Å; R148-E179 PolarHBondContact NH1-OE1 3.33Å; R148-E179 IonicContact NH1-OE2 3.99Å; R148-E179 PolarHBondContact NH1-OE2 2.96Å; R148-E179 IonicContact NH2-OE1 3.54Å; R148-E179 PolarHBondContact NH2-OE1 2.96Å; R148-E179 IonicContact NH2-OE2 2.75Å; R148-E179 PolarHBondContact NH2-OE2 2.84Å; V175-E179 HydrophobicContact CG1-CG 4.24Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.35Å; V175-E179 WeakPolarHBondContact O-CB 3.4Å; V175-E179 WeakPolarHBondContact O-CG 3.42Å; V175-E179 PolarHBondContact O-N 3.5Å; F176-E179 PolarHBondContact O-N 2.96Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 3.24Å
180L92.9Very high94.6Very high6 Ų622.1 Ų22.13%0.03112%0.117CC..SBendtrans-52.8139.7174-68.8176.1000110.9L110 F176 L177 E182 K272L110-L180 HydrophobicContact CB-CD2 4.3Å; L110-L180 HydrophobicContact CD1-CD2 4.29Å; F176-L180 HydrophobicContact CE1-CD2 4.16Å; F176-L180 HydrophobicContact CE2-CD2 4.25Å; F176-L180 HydrophobicContact CZ-CD2 3.85Å; F176-L180 PolarHBondContact O-N 3.37Å; L177-L180 HydrophobicContact CD2-CD1 4.35Å; L177-L180 PolarHBondContact O-N 2.93Å; L180-E182 VanDerWaalsContact CB-O 3.25Å; L180-E182 WeakPolarHBondContact CB-O 3.35Å; L180-E182 PolarHBondContact O-N 3.41Å; L180-K272 WeakPolarHBondContact O-CE 3.16Å; L180-K272 PolarHBondContact O-NZ 2.86Å
181P90.9Very high94.3Very high64 Ų6423.5 Ų23.542%0.41612%0.123SC..SBendtrans-57.5-35.1178.4-2734.2000113.6A108 P109A108-P181 WeakPolarHBondContact O-CD 3.25Å; P109-P181 HydrophobicContact CG-CG 4.39Å
182E90.1Very high94.1Very high71 Ų7122.9 Ų22.933%0.33212%0.119SC..SBendtrans-122.6142.7175.4-177.6170.1-164.300109L180 M186 H187L180-E182 VanDerWaalsContact CB-O 3.25Å; L180-E182 WeakPolarHBondContact CB-O 3.35Å; L180-E182 PolarHBondContact O-N 3.41Å; E182-M186 VanDerWaalsContact OE1-CA 3.27Å; E182-M186 WeakPolarHBondContact OE1-CA 3.42Å; E182-M186 WeakPolarHBondContact OE1-CB 3.5Å; E182-H187 PolarHBondContact OE1-N 2.78Å
183P94.1Very high94Very high1 Ų123.1 Ų23.11%0.00612%0.12CC..  trans-56.1148.7173.4-2233.5000111L185 M186 H187 I268 W270 K272P183-L185 PolarHBondContact O-N 3.46Å; P183-L185 VanDerWaalsContact O-N 3.11Å; P183-M186 WeakPolarHBondContact O-CA 3.32Å; P183-M186 PolarHBondContact O-N 3.23Å; P183-H187 WeakPolarHBondContact CD-CE1 3.47Å; P183-H187 WeakPolarHBondContact CD-ND1 3.27Å; P183-I268 WeakPolarHBondContact CB-O 3.45Å; P183-W270 WeakPolarHBondContact CG-O 3.47Å; P183-K272 HydrophobicContact CG-CD 4.47Å; P183-K272 HydrophobicContact CG-CG 4.29Å
184L96.4Very high93.7Very high0 Ų023.8 Ų23.80%012%0.124CC..THydrogen-bonded Turntrans-55.5-35.6-178-175.161.4000112.7L110 L177 M186 N232 L235 L236 L239 I268L110-L184 HydrophobicContact CD2-CD1 4.13Å; L177-L184 HydrophobicContact CD2-CD2 3.95Å; L184-M186 VanDerWaalsContact C-N 3.32Å; L184-N232 HydrophobicContact CD1-CB 4.15Å; L184-N232 PolarHBondContact O-ND2 3.24Å; L184-L235 HydrophobicContact CD1-CB 4.21Å; L184-L235 HydrophobicContact CD1-CD2 3.94Å; L184-L235 HydrophobicContact CD1-CG 4.22Å; L184-L235 HydrophobicContact CD2-CG 4.37Å; L184-L236 HydrophobicContact CD2-CB 3.99Å; L184-L236 HydrophobicContact CD2-CD1 3.8Å; L184-L236 HydrophobicContact CG-CB 4.27Å; L184-L236 HydrophobicContact CG-CD1 4.3Å; L184-L239 HydrophobicContact CD2-CD2 3.93Å; L184-I268 HydrophobicContact CB-CB 4.27Å; L184-I268 HydrophobicContact CB-CG2 4.48Å; L184-I268 HydrophobicContact CD2-CG2 4.47Å; L184-I268 PolarHBondContact N-O 3.24Å
185L96.1Very high93.4Very high0 Ų025.2 Ų25.20%013%0.13CC..THydrogen-bonded Turntrans-87.39.1177.7-71.2173.2000114.8P183 H189 F225 L228 L236 I268 I269 L293P183-L185 PolarHBondContact O-N 3.46Å; P183-L185 VanDerWaalsContact O-N 3.11Å; L185-H189 WeakPolarHBondContact O-CB 3.49Å; L185-F225 HydrophobicContact CD2-CE1 3.87Å; L185-F225 HydrophobicContact CD2-CZ 4.43Å; L185-L228 HydrophobicContact CD2-CD1 4.38Å; L185-L236 HydrophobicContact CD2-CD1 3.92Å; L185-L236 HydrophobicContact CD2-CD2 3.49Å; L185-L236 VanDerWaalsContact CD2-CD2 3.49Å; L185-L236 HydrophobicContact CD2-CG 4.35Å; L185-L236 HydrophobicContact CG-CD1 4.3Å; L185-I268 VanDerWaalsContact CB-O 3.3Å; L185-I268 WeakPolarHBondContact CB-O 3.38Å; L185-I268 HydrophobicContact CD1-CD1 4.26Å; L185-I268 HydrophobicContact CD1-CG1 4.16Å; L185-I268 PolarHBondContact N-O 2.91Å; L185-I269 HydrophobicContact CB-CG1 4.48Å; L185-I269 HydrophobicContact CD1-CB 3.95Å; L185-I269 HydrophobicContact CD1-CD1 4.16Å; L185-I269 HydrophobicContact CD1-CG1 4.19Å; L185-L293 HydrophobicContact CD1-CD1 4.01Å
186M93.3Very high93.3Very high11 Ų1123.2 Ų23.25%0.05412%0.118CC..  trans66.2141179.1-50.5-168.777.600115.5E182 P183 L184 R188 H189 L228 P229E182-M186 VanDerWaalsContact OE1-CA 3.27Å; E182-M186 WeakPolarHBondContact OE1-CA 3.42Å; E182-M186 WeakPolarHBondContact OE1-CB 3.5Å; P183-M186 WeakPolarHBondContact O-CA 3.32Å; P183-M186 PolarHBondContact O-N 3.23Å; L184-M186 VanDerWaalsContact C-N 3.32Å; M186-R188 VanDerWaalsContact C-N 3.33Å; M186-R188 HydrophobicContact CB-CG 3.99Å; M186-R188 HydrophobicContact CE-CG 4.13Å; M186-R188 VanDerWaalsContact CE-NE 3.29Å; M186-R188 PolarHBondContact O-N 2.8Å; M186-R188 HydrophobicContact SD-CG 4.4Å; M186-R188 PolarHBondContact SD-NE 3.23Å; M186-R188 PolarHBondContact SD-NH2 2.67Å; M186-H189 PolarHBondContact O-N 2.8Å; M186-L228 HydrophobicContact CG-CD2 3.79Å; M186-L228 HydrophobicContact SD-CD2 4.07Å; M186-P229 HydrophobicContact CE-CG 4Å; M186-P229 WeakPolarHBondContact SD-CD 3.44Å; M186-P229 HydrophobicContact SD-CG 3.93Å
187H90.5Very high92.8Very high32 Ų3223.9 Ų23.915%0.14813%0.126CC..G310 helixtrans-64.1-41175.7-77.5105.8000111.7P82 E182 P183 H189 Y190 K272P82-H187 HydrophobicContact CB-CB 4.04Å; P82-H187 HydrophobicContact CG-CB 3.87Å; E182-H187 PolarHBondContact OE1-N 2.78Å; P183-H187 WeakPolarHBondContact CD-CE1 3.47Å; P183-H187 WeakPolarHBondContact CD-ND1 3.27Å; H187-H189 PolarHBondContact O-N 3.11Å; H187-Y190 WeakPolarHBondContact O-CB 3.19Å; H187-Y190 PolarHBondContact O-N 3.34Å; H187-Y190 VanDerWaalsContact O-N 3.16Å; H187-K272 VanDerWaalsContact CE1-CG 3.5Å; H187-K272 WeakPolarHBondContact CE1-CG 3.49Å; H187-K272 PolarHBondContact NE2-N 3.12Å
188R91.4Very high92.2Very high76 Ų7626.3 Ų26.329%0.28714%0.137SC..G310 helixtrans-63.9-22.8-178.252.2164.5-167.5-147.52.9114.5Q75 M186Q75-R188 WeakPolarHBondContact O-CB 3.48Å; M186-R188 VanDerWaalsContact C-N 3.33Å; M186-R188 HydrophobicContact CB-CG 3.99Å; M186-R188 HydrophobicContact CE-CG 4.13Å; M186-R188 VanDerWaalsContact CE-NE 3.29Å; M186-R188 PolarHBondContact O-N 2.8Å; M186-R188 HydrophobicContact SD-CG 4.4Å; M186-R188 PolarHBondContact SD-NE 3.23Å; M186-R188 PolarHBondContact SD-NH2 2.67Å
189H94Very high91.4Very high1 Ų125.7 Ų25.71%0.00513%0.127CC..G310 helixtrans-90.4-3179.9-61.7179.6000112.7L76 L185 M186 H187 H191 A192 H193 L224L76-H189 VanDerWaalsContact CD1-CD2 3.47Å; L76-H189 WeakPolarHBondContact CD1-CD2 3.44Å; L185-H189 WeakPolarHBondContact O-CB 3.49Å; M186-H189 PolarHBondContact O-N 2.8Å; H187-H189 PolarHBondContact O-N 3.11Å; H189-H191 PolarHBondContact O-N 2.92Å; H189-A192 WeakPolarHBondContact O-CB 3.45Å; H189-A192 PolarHBondContact O-N 3.39Å; H189-A192 VanDerWaalsContact O-N 3.11Å; H189-H193 PolarHBondContact O-CD2 3.11Å; H189-H193 PolarHBondContact O-N 3.1Å; H189-L224 HydrophobicContact CB-CD1 4.08Å; H189-L224 HydrophobicContact CB-CD2 4.38Å; H189-L224 HydrophobicContact CB-CG 4.5Å
190Y92.6Very high90.1Very high3 Ų324.4 Ų24.41%0.01213%0.125CC..Hα-helixtrans-53.1-50-173.3174.1-100.2000113.5H187 A192 H193 L194 P271 L279 L286H187-Y190 WeakPolarHBondContact O-CB 3.19Å; H187-Y190 PolarHBondContact O-N 3.34Å; H187-Y190 VanDerWaalsContact O-N 3.16Å; Y190-A192 PolarHBondContact O-N 3.27Å; Y190-H193 WeakPolarHBondContact O-CB 3.44Å; Y190-H193 PolarHBondContact O-N 3.48Å; Y190-L194 HydrophobicContact CD1-CD1 4.24Å; Y190-L194 HydrophobicContact CE1-CD1 3.51Å; Y190-L194 HydrophobicContact CE1-CG 4.34Å; Y190-L194 HydrophobicContact CE2-CD1 4.49Å; Y190-L194 PolarHBondContact O-N 2.88Å; Y190-L194 VanDerWaalsContact O-N 3.15Å; Y190-P271 HydrophobicContact CD1-CG 4.37Å; Y190-P271 HydrophobicContact CD2-CG 3.59Å; Y190-P271 VanDerWaalsContact CE2-CD 3.49Å; Y190-P271 HydrophobicContact CE2-CG 3.8Å; Y190-P271 HydrophobicContact CG-CG 3.9Å; Y190-L279 HydrophobicContact CE2-CD2 4.3Å; Y190-L279 WeakPolarHBondContact OH-CD2 3.5Å; Y190-L286 HydrophobicContact CD2-CD2 4.42Å; Y190-L286 HydrophobicContact CE2-CD1 3.85Å; Y190-L286 HydrophobicContact CE2-CD2 3.91Å; Y190-L286 HydrophobicContact CE2-CG 4.48Å
191H92.1Very high88.4Confident30 Ų3026 Ų2614%0.13914%0.136CC..Hα-helixtrans-65-40.6178.9-72.6-86.8000111.9L68 E72 Q75 H189 H193 L194 K195L68-H191 HydrophobicContact CD2-CB 4.23Å; E72-H191 HydrophobicContact CB-CB 3.97Å; E72-H191 HydrophobicContact CG-CB 4.11Å; E72-H191 IonicContact OE1-CE1 3.71Å; E72-H191 PolarHBondContact OE1-CE1 3.16Å; E72-H191 IonicContact OE1-CG 2.63Å; E72-H191 IonicContact OE1-ND1 3.95Å; E72-H191 PolarHBondContact OE1-ND1 2.83Å; E72-H191 IonicContact OE2-CG 2.87Å; E72-H191 IonicContact OE2-ND1 2.88Å; Q75-H191 PolarHBondContact OE1-CD2 3.46Å; H189-H191 PolarHBondContact O-N 2.92Å; H191-H193 VanDerWaalsContact C-N 3.31Å; H191-H193 PolarHBondContact O-N 3.4Å; H191-L194 PolarHBondContact O-N 3.49Å; H191-K195 WeakPolarHBondContact O-CG 3.34Å; H191-K195 PolarHBondContact O-N 3.32Å
192A94.3Very high86.8Confident2 Ų227.2 Ų27.22%0.01714%0.135CC..Hα-helixtrans-58.9-42.9174.600000111.4I66 L68 L76 H189 Y190 L194 K195 I196 L224I66-A192 HydrophobicContact CD1-CB 3.89Å; L68-A192 HydrophobicContact CD1-CB 4.35Å; L76-A192 HydrophobicContact CD1-CB 4.29Å; H189-A192 WeakPolarHBondContact O-CB 3.45Å; H189-A192 PolarHBondContact O-N 3.39Å; H189-A192 VanDerWaalsContact O-N 3.11Å; Y190-A192 PolarHBondContact O-N 3.27Å; A192-L194 PolarHBondContact O-N 3.48Å; A192-K195 PolarHBondContact O-N 3.31Å; A192-I196 WeakPolarHBondContact O-CB 3.5Å; A192-I196 WeakPolarHBondContact O-CG1 3.49Å; A192-I196 PolarHBondContact O-N 3.33Å; A192-L224 HydrophobicContact CB-CD1 4.05Å; A192-L224 HydrophobicContact CB-CD2 4.12Å
193H94.3Very high85.6Confident9 Ų926.5 Ų26.54%0.04213%0.133CC..Hα-helixtrans-61.1-41.5175.5-75.6-71.9000113.4H189 Y190 H191 G197 F221 I269H189-H193 PolarHBondContact O-CD2 3.11Å; H189-H193 PolarHBondContact O-N 3.1Å; Y190-H193 WeakPolarHBondContact O-CB 3.44Å; Y190-H193 PolarHBondContact O-N 3.48Å; H191-H193 VanDerWaalsContact C-N 3.31Å; H191-H193 PolarHBondContact O-N 3.4Å; H193-G197 PolarHBondContact O-N 3.06Å; H193-F221 AromaticContact ND1-CE1 3.48Å; H193-F221 WeakPolarHBondContact ND1-CE1 3.41Å; H193-I269 HydrophobicContact CB-CD1 3.47Å; H193-I269 VanDerWaalsContact CB-CD1 3.47Å; H193-I269 HydrophobicContact CB-CG1 4.47Å; H193-I269 VanDerWaalsContact CG-CD1 3.49Å
194L92Very high84Confident15 Ų1535.6 Ų35.68%0.07918%0.176CC..Hα-helixtrans-62.2-47.4175.5-70.6177.1000111.3Y190 H191 A192 I196 G197 E198 N282 K285 L286Y190-L194 HydrophobicContact CD1-CD1 4.24Å; Y190-L194 HydrophobicContact CE1-CD1 3.51Å; Y190-L194 HydrophobicContact CE1-CG 4.34Å; Y190-L194 HydrophobicContact CE2-CD1 4.49Å; Y190-L194 PolarHBondContact O-N 2.88Å; Y190-L194 VanDerWaalsContact O-N 3.15Å; H191-L194 PolarHBondContact O-N 3.49Å; A192-L194 PolarHBondContact O-N 3.48Å; L194-I196 PolarHBondContact O-N 3.44Å; L194-G197 WeakPolarHBondContact O-CA 3.45Å; L194-G197 PolarHBondContact O-N 3.05Å; L194-G197 VanDerWaalsContact O-N 3.17Å; L194-E198 WeakPolarHBondContact O-CG 3.44Å; L194-E198 PolarHBondContact O-N 2.78Å; L194-E198 VanDerWaalsContact O-N 3.1Å; L194-N282 HydrophobicContact CD2-CB 4.08Å; L194-K285 HydrophobicContact CD2-CB 4.11Å; L194-K285 HydrophobicContact CD2-CD 4.45Å; L194-L286 HydrophobicContact CD2-CD2 3.6Å; L194-L286 HydrophobicContact CD2-CG 3.85Å; L194-L286 HydrophobicContact CG-CD2 4.26Å
195K91.1Very high82.6Confident62 Ų6244 Ų4427%0.2721%0.212SC..Hα-helixtrans-63.4-40.9179.2-67.9-58.2-175.1-178.10112.9I66 L68 H191 A192 G197 E198 L199I66-K195 HydrophobicContact CB-CB 4.06Å; I66-K195 HydrophobicContact CD1-CB 4.23Å; I66-K195 HydrophobicContact CG2-CB 4.15Å; L68-K195 HydrophobicContact CD2-CB 4.47Å; L68-K195 HydrophobicContact CD2-CG 3.74Å; H191-K195 WeakPolarHBondContact O-CG 3.34Å; H191-K195 PolarHBondContact O-N 3.32Å; A192-K195 PolarHBondContact O-N 3.31Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 3.37Å; K195-E198 IonicContact NZ-OE2 3.47Å; K195-E198 WeakPolarHBondContact O-CB 3.26Å; K195-E198 PolarHBondContact O-N 2.88Å; K195-L199 PolarHBondContact O-N 3Å
196I92Very high81.1Confident0 Ų046.3 Ų46.30%024%0.236CC..Hα-helixtrans-62.8-40.4174.7-64.4168.3000110.3I66 A192 L194 E198 L199 Q217 A220 F221 L224I66-I196 HydrophobicContact CD1-CG1 4.17Å; I66-I196 HydrophobicContact CG2-CG1 3.84Å; A192-I196 WeakPolarHBondContact O-CB 3.5Å; A192-I196 WeakPolarHBondContact O-CG1 3.49Å; A192-I196 PolarHBondContact O-N 3.33Å; L194-I196 PolarHBondContact O-N 3.44Å; I196-E198 PolarHBondContact O-N 3.4Å; I196-L199 HydrophobicContact CG2-CD1 4.26Å; I196-L199 VanDerWaalsContact O-CB 3.31Å; I196-L199 WeakPolarHBondContact O-CB 3.44Å; I196-L199 PolarHBondContact O-N 3.16Å; I196-L199 VanDerWaalsContact O-N 3.1Å; I196-Q217 HydrophobicContact CG2-CB 4.48Å; I196-Q217 HydrophobicContact CG2-CG 4.37Å; I196-Q217 PolarHBondContact O-NE2 2.95Å; I196-A220 HydrophobicContact CD1-CB 3.84Å; I196-A220 HydrophobicContact CG1-CB 3.72Å; I196-A220 HydrophobicContact CG2-CB 4.04Å; I196-F221 HydrophobicContact CB-CE1 3.97Å; I196-F221 HydrophobicContact CB-CE2 4.44Å; I196-F221 HydrophobicContact CB-CZ 3.93Å; I196-F221 HydrophobicContact CD1-CD1 3.82Å; I196-F221 HydrophobicContact CD1-CE1 3.89Å; I196-F221 HydrophobicContact CD1-CG 4.48Å; I196-F221 HydrophobicContact CG2-CD1 4.02Å; I196-F221 HydrophobicContact CG2-CD2 3.71Å; I196-F221 HydrophobicContact CG2-CE1 3.65Å; I196-F221 HydrophobicContact CG2-CE2 3.37Å; I196-F221 HydrophobicContact CG2-CG 4.03Å; I196-F221 HydrophobicContact CG2-CZ 3.34Å; I196-L224 HydrophobicContact CD1-CB 4.36Å; I196-L224 HydrophobicContact CD1-CD2 3.76Å
197G86.6Confident80Confident18 Ų1850.1 Ų50.119%0.18626%0.257CS..Hα-helixtrans-58.8-31.3173.200000113.3H193 L194 K195 T200H193-G197 PolarHBondContact O-N 3.06Å; L194-G197 WeakPolarHBondContact O-CA 3.45Å; L194-G197 PolarHBondContact O-N 3.05Å; L194-G197 VanDerWaalsContact O-N 3.17Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 3.37Å; G197-T200 PolarHBondContact O-OG1 3.48Å
198E83.8Confident78.7Confident52 Ų5256.9 Ų56.924%0.24329%0.286CS..Hα-helixtrans-79.6-14.1177.3-68172.5176.600113.9L194 K195 I196 T200 C201 K285L194-E198 WeakPolarHBondContact O-CG 3.44Å; L194-E198 PolarHBondContact O-N 2.78Å; L194-E198 VanDerWaalsContact O-N 3.1Å; K195-E198 IonicContact NZ-OE2 3.47Å; K195-E198 WeakPolarHBondContact O-CB 3.26Å; K195-E198 PolarHBondContact O-N 2.88Å; I196-E198 PolarHBondContact O-N 3.4Å; E198-T200 PolarHBondContact O-N 3.43Å; E198-C201 VanDerWaalsContact O-CB 3.22Å; E198-C201 WeakPolarHBondContact O-CB 3.46Å; E198-C201 PolarHBondContact O-N 3.36Å; E198-C201 PolarHBondContact O-SG 3.02Å; E198-K285 IonicContact OE1-NZ 2.71Å; E198-K285 PolarHBondContact OE1-NZ 3.42Å
199L77.6Confident77.6Confident13 Ų1354.9 Ų54.97%0.06828%0.282CS..G310 helixtrans-61.7-13.4176.3-66.9176.8000113.5L65 I66 K195 I196 C201 R216 Q217 A220L65-L199 WeakPolarHBondContact O-CD2 3.31Å; I66-L199 HydrophobicContact CG2-CD1 3.77Å; I66-L199 HydrophobicContact CG2-CD2 4.03Å; I66-L199 HydrophobicContact CG2-CG 3.99Å; K195-L199 PolarHBondContact O-N 3Å; I196-L199 HydrophobicContact CG2-CD1 4.26Å; I196-L199 VanDerWaalsContact O-CB 3.31Å; I196-L199 WeakPolarHBondContact O-CB 3.44Å; I196-L199 PolarHBondContact O-N 3.16Å; I196-L199 VanDerWaalsContact O-N 3.1Å; L199-C201 PolarHBondContact O-N 3.18Å; L199-R216 HydrophobicContact CD1-CG 4.2Å; L199-Q217 HydrophobicContact CB-CG 3.71Å; L199-Q217 HydrophobicContact CD1-CG 4.28Å; L199-A220 HydrophobicContact CD1-CB 4.03Å
200T65.4Low76.1Confident47 Ų4762.4 Ų62.429%0.28832%0.322SS..G310 helixtrans-63.5-6.8170.550.20000113.7G197 E198 P212 Q217G197-T200 PolarHBondContact O-OG1 3.48Å; E198-T200 PolarHBondContact O-N 3.43Å; T200-P212 HydrophobicContact CG2-CB 3.59Å; T200-Q217 VanDerWaalsContact N-NE2 3.17Å
201C58.1Low74.7Confident40 Ų4067.1 Ų67.127%0.2735%0.351SS..G310 helixtrans-112-1.6-164.9-58.90000114.7E198 L199 K208 T209E198-C201 VanDerWaalsContact O-CB 3.22Å; E198-C201 WeakPolarHBondContact O-CB 3.46Å; E198-C201 PolarHBondContact O-N 3.36Å; E198-C201 PolarHBondContact O-SG 3.02Å; L199-C201 PolarHBondContact O-N 3.18Å; C201-K208 CarbonylContact O-C 3.39Å; C201-K208 WeakPolarHBondContact O-CA 3.44Å; C201-T209 CarbonylContact C-O 3.49Å; C201-T209 WeakPolarHBondContact CA-O 3.31Å; C201-T209 PolarHBondContact O-N 2.92Å
202F58.1Low73.4Confident89 Ų8968.3 Ų68.339%0.3936%0.361SS..BIsolated β-bridgetrans-132134.7-176.6-58.5-79.9000113.2G206 N207 K208F202-G206 WeakPolarHBondContact CD1-O 3.39Å; F202-N207 CarbonylContact C-O 3.49Å; F202-N207 WeakPolarHBondContact CA-O 3.22Å; F202-K208 HydrophobicContact CE1-CB 4.48Å
203D63.3Low72.8Confident55 Ų5570.5 Ų70.529%0.29437%0.373SS..  trans-76.7175.6174.170.59.9000111.6K205 G206 N207 T209D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 VanDerWaalsContact OD1-C 3.3Å; D203-K205 VanDerWaalsContact OD1-CA 3.32Å; D203-K205 WeakPolarHBondContact OD1-CA 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.48Å; D203-K205 PolarHBondContact OD1-N 3.44Å; D203-G206 PolarHBondContact O-N 2.95Å; D203-G206 PolarHBondContact OD1-N 2.85Å; D203-N207 PolarHBondContact N-O 3.01Å; D203-N207 WeakPolarHBondContact OD1-CB 3.45Å; D203-N207 PolarHBondContact OD1-N 3.34Å; D203-N207 PolarHBondContact OD1-ND2 3.02Å; D203-N207 PolarHBondContact OD2-ND2 3.5Å; D203-T209 HydrophobicContact CB-CG2 4.14Å
204E60.9Low72.4Confident192 Ų19275.6 Ų75.690%0.89740%0.395SS*.THydrogen-bonded Turntrans-58.3-17.8177.9-65.6-166.315700113.6
205K67.3Low72.3Confident177 Ų17778.1 Ų78.177%0.7742%0.418SS*.THydrogen-bonded Turntrans-96.13.4178.5-59.5178.6-177.6179.60112.4D203 N207D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 VanDerWaalsContact OD1-C 3.3Å; D203-K205 VanDerWaalsContact OD1-CA 3.32Å; D203-K205 WeakPolarHBondContact OD1-CA 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.48Å; D203-K205 PolarHBondContact OD1-N 3.44Å; K205-N207 VanDerWaalsContact C-N 3.32Å; K205-N207 WeakPolarHBondContact CB-ND2 3.45Å
206G64.4Low72.3Confident49 Ų4978.5 Ų78.551%0.50542%0.418SS..SBendtrans77.910.9-179.500000114.5F202 D203F202-G206 WeakPolarHBondContact CD1-O 3.39Å; D203-G206 PolarHBondContact O-N 2.95Å; D203-G206 PolarHBondContact OD1-N 2.85Å
207N69.5Low72.3Confident91 Ų9178.8 Ų78.849%0.48742%0.419SS..  trans-86.2147.2178.1-55.7-59000111F202 D203 K205 T209F202-N207 CarbonylContact C-O 3.49Å; F202-N207 WeakPolarHBondContact CA-O 3.22Å; D203-N207 PolarHBondContact N-O 3.01Å; D203-N207 WeakPolarHBondContact OD1-CB 3.45Å; D203-N207 PolarHBondContact OD1-N 3.34Å; D203-N207 PolarHBondContact OD1-ND2 3.02Å; D203-N207 PolarHBondContact OD2-ND2 3.5Å; K205-N207 VanDerWaalsContact C-N 3.32Å; K205-N207 WeakPolarHBondContact CB-ND2 3.45Å; N207-T209 PolarHBondContact O-N 3.41Å; N207-T209 VanDerWaalsContact O-N 3.11Å
208K64Low72.7Confident173 Ų17378.8 Ų78.875%0.75242%0.415SS*.BIsolated β-bridgetrans-62.5116178.7-163.2177.6-178.8-179.40110.5C201 F202C201-K208 CarbonylContact O-C 3.39Å; C201-K208 WeakPolarHBondContact O-CA 3.44Å; F202-K208 HydrophobicContact CE1-CB 4.48Å
209T67.4Low73.3Confident34 Ų3478.6 Ų78.621%0.20941%0.414CS..  trans-118.9149.6177.5-175.70000110.7C201 D203 N207 V211C201-T209 CarbonylContact C-O 3.49Å; C201-T209 WeakPolarHBondContact CA-O 3.31Å; C201-T209 PolarHBondContact O-N 2.92Å; D203-T209 HydrophobicContact CB-CG2 4.14Å; N207-T209 PolarHBondContact O-N 3.41Å; N207-T209 VanDerWaalsContact O-N 3.11Å; T209-V211 VanDerWaalsContact C-N 3.28Å; T209-V211 WeakPolarHBondContact CG2-O 3.3Å; T209-V211 PolarHBondContact OG1-N 2.93Å
210N63.3Low74.1Confident160 Ų16078 Ų7886%0.85641%0.411SS*.SBendtrans-88.20.4172.9-65.1-27.9000112
211V62.7Low75.7Confident102 Ų10276 Ų7662%0.61840%0.398SS*.SBendtrans-95.8117.6-179.6-176.40000109.5T209 D213T209-V211 VanDerWaalsContact C-N 3.28Å; T209-V211 WeakPolarHBondContact CG2-O 3.3Å; T209-V211 PolarHBondContact OG1-N 2.93Å; V211-D213 PolarHBondContact O-N 2.97Å
212P66.2Low77.5Confident54 Ų5475.3 Ų75.335%0.35139%0.391SS..  trans-70.7121.5-178.126.2-32.6000111.6T200 K214T200-P212 HydrophobicContact CG2-CB 3.59Å; P212-K214 VanDerWaalsContact C-N 3.28Å; P212-K214 HydrophobicContact CB-CG 4.5Å; P212-K214 PolarHBondContact O-N 3.24Å
213D80.6Confident79.4Confident48 Ų4871 Ų7126%0.25737%0.372SS..  trans-75.582169.4-172.5-10.3000110.5V211 A215 R216 Q217V211-D213 PolarHBondContact O-N 2.97Å; D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 3.03Å; D213-A215 PolarHBondContact OD1-N 3.43Å; D213-R216 HydrophobicContact CB-CB 4.19Å; D213-R216 WeakPolarHBondContact OD1-CB 3.18Å; D213-R216 PolarHBondContact OD1-N 3.38Å; D213-R216 WeakPolarHBondContact OD2-CB 3.5Å; D213-Q217 WeakPolarHBondContact O-CG 3.48Å; D213-Q217 PolarHBondContact O-N 3.19Å; D213-Q217 VanDerWaalsContact O-N 3.13Å
214K87.1Confident81Confident116 Ų11668.5 Ų68.550%0.50436%0.359SS..Hα-helixtrans-63-33.5-178.7-62.5174.9-174.4169.60112.1P212 I218 F292P212-K214 VanDerWaalsContact C-N 3.28Å; P212-K214 HydrophobicContact CB-CG 4.5Å; P212-K214 PolarHBondContact O-N 3.24Å; K214-I218 WeakPolarHBondContact O-CB 3.44Å; K214-I218 WeakPolarHBondContact O-CD1 3.28Å; K214-I218 VanDerWaalsContact O-CG1 3.24Å; K214-I218 WeakPolarHBondContact O-CG1 2.95Å; K214-I218 PolarHBondContact O-N 3.11Å; K214-F292 HydrophobicContact CB-CE2 4.41Å; K214-F292 HydrophobicContact CG-CE2 4.32Å
215A89.7Confident82.7Confident69 Ų6959.4 Ų59.457%0.5732%0.316SS*.Hα-helixtrans-69.3-48.1-17600000110.1D213 Q217 I218 E219D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 3.03Å; D213-A215 PolarHBondContact OD1-N 3.43Å; A215-Q217 VanDerWaalsContact C-N 3.33Å; A215-Q217 PolarHBondContact O-N 3.34Å; A215-I218 PolarHBondContact O-N 3.33Å; A215-E219 PolarHBondContact O-N 3.33Å
216R90.3Very high84.1Confident70 Ų7051.3 Ų51.326%0.26428%0.281SS..Hα-helixtrans-62.6-38175.7-167.6-176174.9166.20.3112.6L65 L199 D213 E219 A220L65-R216 HydrophobicContact CD2-CG 3.96Å; L65-R216 PolarHBondContact O-NE 3.19Å; L65-R216 PolarHBondContact O-NH2 2.87Å; L199-R216 HydrophobicContact CD1-CG 4.2Å; D213-R216 HydrophobicContact CB-CB 4.19Å; D213-R216 WeakPolarHBondContact OD1-CB 3.18Å; D213-R216 PolarHBondContact OD1-N 3.38Å; D213-R216 WeakPolarHBondContact OD2-CB 3.5Å; R216-E219 PolarHBondContact O-N 2.79Å; R216-A220 WeakPolarHBondContact O-CB 3.38Å; R216-A220 PolarHBondContact O-N 2.91Å
217Q92.4Very high85.6Confident5 Ų550.3 Ų50.32%0.02326%0.264CS..Hα-helixtrans-64.7-43.7173.7-77.5-171.3-20.400113.2I196 L199 T200 D213 A215 E219 A220 F221 F292I196-Q217 HydrophobicContact CG2-CB 4.48Å; I196-Q217 HydrophobicContact CG2-CG 4.37Å; I196-Q217 PolarHBondContact O-NE2 2.95Å; L199-Q217 HydrophobicContact CB-CG 3.71Å; L199-Q217 HydrophobicContact CD1-CG 4.28Å; T200-Q217 VanDerWaalsContact N-NE2 3.17Å; D213-Q217 WeakPolarHBondContact O-CG 3.48Å; D213-Q217 PolarHBondContact O-N 3.19Å; D213-Q217 VanDerWaalsContact O-N 3.13Å; A215-Q217 VanDerWaalsContact C-N 3.33Å; A215-Q217 PolarHBondContact O-N 3.34Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; Q217-A220 PolarHBondContact O-N 3.47Å; Q217-F221 VanDerWaalsContact O-CD2 3.22Å; Q217-F221 WeakPolarHBondContact O-CD2 3.46Å; Q217-F221 PolarHBondContact O-N 2.73Å; Q217-F292 HydrophobicContact CB-CE1 3.83Å; Q217-F292 HydrophobicContact CB-CE2 4.15Å; Q217-F292 HydrophobicContact CB-CZ 3.49Å; Q217-F292 VanDerWaalsContact CB-CZ 3.49Å
218I95.2Very high86.8Confident19 Ų1946 Ų4610%0.09724%0.241CC..Hα-helixtrans-59.8-47.1175-74.4163000109.6K214 A215 A220 F221 Q222 F292 H296 K299 L300K214-I218 WeakPolarHBondContact O-CB 3.44Å; K214-I218 WeakPolarHBondContact O-CD1 3.28Å; K214-I218 VanDerWaalsContact O-CG1 3.24Å; K214-I218 WeakPolarHBondContact O-CG1 2.95Å; K214-I218 PolarHBondContact O-N 3.11Å; A215-I218 PolarHBondContact O-N 3.33Å; I218-A220 PolarHBondContact O-N 3.47Å; I218-F221 PolarHBondContact O-N 3.1Å; I218-Q222 HydrophobicContact CG2-CG 4.24Å; I218-Q222 WeakPolarHBondContact O-CB 3.42Å; I218-Q222 VanDerWaalsContact O-CG 3.25Å; I218-Q222 WeakPolarHBondContact O-CG 3.49Å; I218-Q222 PolarHBondContact O-N 3.43Å; I218-F292 HydrophobicContact CG1-CE1 4.05Å; I218-F292 HydrophobicContact CG1-CZ 3.88Å; I218-H296 HydrophobicContact CD1-CB 4.49Å; I218-H296 HydrophobicContact CG1-CB 4.37Å; I218-K299 HydrophobicContact CD1-CD 3.94Å; I218-K299 HydrophobicContact CG2-CB 4.08Å; I218-L300 HydrophobicContact CB-CD2 4.43Å; I218-L300 HydrophobicContact CG1-CD2 4.22Å; I218-L300 HydrophobicContact CG2-CD2 4.32Å
219E95.3Very high88.3Confident48 Ų4839.7 Ų39.722%0.22422%0.218CC..Hα-helixtrans-60-47.3179.1-171-172.6164.800111.8L65 A215 R216 Q217 F221 Q222 L223 P304 Y306L65-E219 HydrophobicContact CD1-CB 4.22Å; L65-E219 HydrophobicContact CD1-CG 3.85Å; A215-E219 PolarHBondContact O-N 3.33Å; R216-E219 PolarHBondContact O-N 2.79Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.42Å; E219-Q222 WeakPolarHBondContact O-CB 3.17Å; E219-Q222 PolarHBondContact O-N 2.73Å; E219-L223 HydrophobicContact CG-CD1 4.43Å; E219-L223 WeakPolarHBondContact O-CG 3.45Å; E219-L223 PolarHBondContact O-N 3.17Å; E219-P304 HydrophobicContact CG-CG 4.39Å; E219-Y306 WeakPolarHBondContact OE1-CE1 3.26Å; E219-Y306 VanDerWaalsContact OE1-CZ 3.28Å; E219-Y306 PolarHBondContact OE1-OH 3.37Å
220A95.9Very high89.5Confident1 Ų141.9 Ų41.91%0.00823%0.233CC..Hα-helixtrans-62.5-40.3179.500000112.2L65 I196 L199 R216 Q217 I218 L224L65-A220 HydrophobicContact CB-CB 4.38Å; L65-A220 HydrophobicContact CD1-CB 3.93Å; I196-A220 HydrophobicContact CD1-CB 3.84Å; I196-A220 HydrophobicContact CG1-CB 3.72Å; I196-A220 HydrophobicContact CG2-CB 4.04Å; L199-A220 HydrophobicContact CD1-CB 4.03Å; R216-A220 WeakPolarHBondContact O-CB 3.38Å; R216-A220 PolarHBondContact O-N 2.91Å; Q217-A220 PolarHBondContact O-N 3.47Å; I218-A220 PolarHBondContact O-N 3.47Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 PolarHBondContact O-N 2.93Å
221F97.4Very high91Very high3 Ų335.5 Ų35.51%0.01320%0.202CC..Hα-helixtrans-69.8-36.7173.9-77.1-50.7000113.1H193 I196 Q217 I218 E219 L223 L224 F225 F292 L293 L300H193-F221 AromaticContact ND1-CE1 3.48Å; H193-F221 WeakPolarHBondContact ND1-CE1 3.41Å; I196-F221 HydrophobicContact CB-CE1 3.97Å; I196-F221 HydrophobicContact CB-CE2 4.44Å; I196-F221 HydrophobicContact CB-CZ 3.93Å; I196-F221 HydrophobicContact CD1-CD1 3.82Å; I196-F221 HydrophobicContact CD1-CE1 3.89Å; I196-F221 HydrophobicContact CD1-CG 4.48Å; I196-F221 HydrophobicContact CG2-CD1 4.02Å; I196-F221 HydrophobicContact CG2-CD2 3.71Å; I196-F221 HydrophobicContact CG2-CE1 3.65Å; I196-F221 HydrophobicContact CG2-CE2 3.37Å; I196-F221 HydrophobicContact CG2-CG 4.03Å; I196-F221 HydrophobicContact CG2-CZ 3.34Å; Q217-F221 VanDerWaalsContact O-CD2 3.22Å; Q217-F221 WeakPolarHBondContact O-CD2 3.46Å; Q217-F221 PolarHBondContact O-N 2.73Å; I218-F221 PolarHBondContact O-N 3.1Å; E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.42Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 3.15Å; F221-L224 HydrophobicContact CD1-CD2 4.49Å; F221-L224 PolarHBondContact O-N 3.16Å; F221-F225 HydrophobicContact CD1-CE1 4.4Å; F221-F225 VanDerWaalsContact O-CB 3.3Å; F221-F225 WeakPolarHBondContact O-CB 3.39Å; F221-F225 WeakPolarHBondContact O-CD1 3.23Å; F221-F225 WeakPolarHBondContact O-CG 3.44Å; F221-F225 PolarHBondContact O-N 3.39Å; F221-F292 AromaticContact CD2-CD1 3.88Å; F221-F292 HydrophobicContact CD2-CD1 3.88Å; F221-F292 AromaticContact CD2-CE1 3.86Å; F221-F292 HydrophobicContact CD2-CE1 3.86Å; F221-F292 AromaticContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CE1 4.01Å; F221-L293 HydrophobicContact CB-CD2 4.4Å; F221-L293 HydrophobicContact CD1-CD2 3.76Å; F221-L293 HydrophobicContact CD2-CD2 3.65Å; F221-L293 HydrophobicContact CE1-CD2 3.87Å; F221-L293 HydrophobicContact CE2-CD2 3.71Å; F221-L293 HydrophobicContact CG-CD2 3.67Å; F221-L293 HydrophobicContact CZ-CD2 3.82Å; F221-L300 HydrophobicContact CB-CD2 3.85Å; F221-L300 HydrophobicContact CD2-CD2 4.48Å
222Q97.2Very high92.6Very high26 Ų2631.6 Ų31.612%0.12118%0.178CC..Hα-helixtrans-57.9-47.1173.9-76.7172.7-22.400110.8I218 E219 F225 M226 K299 L300 K302 P304I218-Q222 HydrophobicContact CG2-CG 4.24Å; I218-Q222 WeakPolarHBondContact O-CB 3.42Å; I218-Q222 VanDerWaalsContact O-CG 3.25Å; I218-Q222 WeakPolarHBondContact O-CG 3.49Å; I218-Q222 PolarHBondContact O-N 3.43Å; E219-Q222 WeakPolarHBondContact O-CB 3.17Å; E219-Q222 PolarHBondContact O-N 2.73Å; Q222-F225 PolarHBondContact O-N 3.25Å; Q222-M226 WeakPolarHBondContact O-CG 3.42Å; Q222-M226 PolarHBondContact O-N 3.11Å; Q222-K299 PolarHBondContact NE2-O 3.27Å; Q222-L300 WeakPolarHBondContact CA-O 3.43Å; Q222-L300 WeakPolarHBondContact CG-O 3.42Å; Q222-K302 VanDerWaalsContact CD-O 3.22Å; Q222-K302 VanDerWaalsContact CG-O 3.24Å; Q222-K302 WeakPolarHBondContact CG-O 3.25Å; Q222-K302 PolarHBondContact NE2-O 3.4Å; Q222-P304 HydrophobicContact CB-CG 4.13Å
223L97.4Very high94Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-62.1-49.5175.4-67.5166.5000111.8V58 N61 I62 L65 E219 F221 F225 M226 P304 I307V58-L223 HydrophobicContact CG1-CB 4.06Å; V58-L223 HydrophobicContact CG1-CD2 4.17Å; V58-L223 VanDerWaalsContact CG1-O 3.26Å; V58-L223 WeakPolarHBondContact CG1-O 3.32Å; N61-L223 HydrophobicContact CB-CD1 3.68Å; N61-L223 HydrophobicContact CB-CD2 3.83Å; N61-L223 HydrophobicContact CB-CG 4.42Å; I62-L223 HydrophobicContact CD1-CB 4.04Å; I62-L223 HydrophobicContact CG1-CB 3.58Å; I62-L223 HydrophobicContact CG1-CD1 4.09Å; I62-L223 HydrophobicContact CG1-CG 4.45Å; L65-L223 HydrophobicContact CD1-CD1 3.46Å; L65-L223 VanDerWaalsContact CD1-CD1 3.46Å; E219-L223 HydrophobicContact CG-CD1 4.43Å; E219-L223 WeakPolarHBondContact O-CG 3.45Å; E219-L223 PolarHBondContact O-N 3.17Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 3.15Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.88Å; L223-M226 HydrophobicContact CB-CE 4.48Å; L223-M226 HydrophobicContact CD2-CE 3.65Å; L223-M226 HydrophobicContact CG-CE 4.39Å; L223-M226 WeakPolarHBondContact O-CB 3.46Å; L223-M226 PolarHBondContact O-N 3.5Å; L223-M226 VanDerWaalsContact O-N 3.08Å; L223-P304 HydrophobicContact CD2-CG 4.07Å; L223-P304 HydrophobicContact CG-CG 4.21Å; L223-I307 HydrophobicContact CD2-CD1 4.34Å; L223-I307 HydrophobicContact CD2-CG1 4.18Å
224L97.2Very high94.7Very high1 Ų131.5 Ų31.51%0.00518%0.176CC..Hα-helixtrans-61-36.8-179.6-170.362.5000112.1I62 L76 H189 A192 I196 A220 F221 M226 L227I62-L224 HydrophobicContact CD1-CD1 4.41Å; L76-L224 HydrophobicContact CD1-CD1 3.86Å; H189-L224 HydrophobicContact CB-CD1 4.08Å; H189-L224 HydrophobicContact CB-CD2 4.38Å; H189-L224 HydrophobicContact CB-CG 4.5Å; A192-L224 HydrophobicContact CB-CD1 4.05Å; A192-L224 HydrophobicContact CB-CD2 4.12Å; I196-L224 HydrophobicContact CD1-CB 4.36Å; I196-L224 HydrophobicContact CD1-CD2 3.76Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 PolarHBondContact O-N 2.93Å; F221-L224 HydrophobicContact CD1-CD2 4.49Å; F221-L224 PolarHBondContact O-N 3.16Å; L224-M226 VanDerWaalsContact C-N 3.3Å; L224-M226 PolarHBondContact O-N 3.32Å; L224-L227 PolarHBondContact O-N 2.96Å
225F97.1Very high95.2Very high1 Ų126 Ų260%0.00415%0.152CC..Hα-helixtrans-71.4-23.1178-72.33.2000113.2L185 F221 Q222 L223 L227 L228 R233 L236 L240 L293 L300 F301L185-F225 HydrophobicContact CD2-CE1 3.87Å; L185-F225 HydrophobicContact CD2-CZ 4.43Å; F221-F225 HydrophobicContact CD1-CE1 4.4Å; F221-F225 VanDerWaalsContact O-CB 3.3Å; F221-F225 WeakPolarHBondContact O-CB 3.39Å; F221-F225 WeakPolarHBondContact O-CD1 3.23Å; F221-F225 WeakPolarHBondContact O-CG 3.44Å; F221-F225 PolarHBondContact O-N 3.39Å; Q222-F225 PolarHBondContact O-N 3.25Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.88Å; F225-L227 VanDerWaalsContact C-N 3.26Å; F225-L228 HydrophobicContact CB-CD1 4.23Å; F225-L228 HydrophobicContact CD1-CD1 3.76Å; F225-L228 HydrophobicContact CE1-CD1 4.4Å; F225-L228 HydrophobicContact CG-CD1 4.13Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.3Å; F225-R233 WeakPolarHBondContact O-CD 3.11Å; F225-L236 HydrophobicContact CD1-CD2 4.2Å; F225-L236 HydrophobicContact CD2-CD2 4.28Å; F225-L236 HydrophobicContact CE1-CD2 3.8Å; F225-L236 HydrophobicContact CE2-CD2 3.88Å; F225-L236 HydrophobicContact CG-CD2 4.42Å; F225-L236 HydrophobicContact CZ-CD2 3.61Å; F225-L240 HydrophobicContact CE2-CD1 4.26Å; F225-L240 HydrophobicContact CZ-CD1 4.41Å; F225-L293 HydrophobicContact CE1-CD2 4.48Å; F225-L293 HydrophobicContact CZ-CD1 4.21Å; F225-L293 HydrophobicContact CZ-CD2 3.74Å; F225-L300 HydrophobicContact CD2-CB 3.91Å; F225-L300 HydrophobicContact CE2-CB 3.67Å; F225-L300 HydrophobicContact CE2-CD1 3.99Å; F225-L300 HydrophobicContact CE2-CG 4.42Å; F225-L300 HydrophobicContact CZ-CD1 4.45Å; F225-F301 HydrophobicContact CD2-CD1 4.24Å; F225-F301 AromaticContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE2 4.45Å; F225-F301 AromaticContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CE2-CE1 4.25Å; F225-F301 HydrophobicContact CE2-CE2 4.24Å; F225-F301 AromaticContact CE2-CZ 3.88Å; F225-F301 HydrophobicContact CE2-CZ 3.88Å
226M95.8Very high95.7Very high8 Ų822.8 Ų22.84%0.03913%0.125CC..Hα-helixtrans-71.2-22.4171.7-72.8-172.1-66.100112.7V43 R47 F54 V58 Q222 L223 L224 A303 P304 I307V43-M226 HydrophobicContact CG1-SD 4.16Å; R47-M226 PolarHBondContact NE-O 3.24Å; R47-M226 PolarHBondContact NH2-O 3.5Å; F54-M226 HydrophobicContact CE1-CB 4.12Å; F54-M226 HydrophobicContact CE2-SD 4.44Å; F54-M226 HydrophobicContact CZ-CB 3.87Å; F54-M226 HydrophobicContact CZ-CG 4.28Å; F54-M226 HydrophobicContact CZ-SD 3.92Å; V58-M226 HydrophobicContact CG1-CE 4.49Å; V58-M226 HydrophobicContact CG2-CB 4.45Å; V58-M226 HydrophobicContact CG2-CE 4.02Å; Q222-M226 WeakPolarHBondContact O-CG 3.42Å; Q222-M226 PolarHBondContact O-N 3.11Å; L223-M226 HydrophobicContact CB-CE 4.48Å; L223-M226 HydrophobicContact CD2-CE 3.65Å; L223-M226 HydrophobicContact CG-CE 4.39Å; L223-M226 WeakPolarHBondContact O-CB 3.46Å; L223-M226 PolarHBondContact O-N 3.5Å; L223-M226 VanDerWaalsContact O-N 3.08Å; L224-M226 VanDerWaalsContact C-N 3.3Å; L224-M226 PolarHBondContact O-N 3.32Å; M226-A303 HydrophobicContact SD-CB 4.04Å; M226-P304 HydrophobicContact CE-CG 4.39Å; M226-I307 HydrophobicContact CE-CG1 4.23Å; M226-I307 HydrophobicContact CE-CG2 4.39Å; M226-I307 HydrophobicContact SD-CG2 4.32Å
227L95.8Very high96Very high27 Ų2725.2 Ų25.214%0.14114%0.138CC..THydrogen-bonded Turntrans-84.8-10.1174.5-59.9-178.1000113.8A55 V58 L59 I62 L224 F225A55-L227 HydrophobicContact CB-CD2 4.44Å; V58-L227 HydrophobicContact CB-CD2 3.92Å; V58-L227 HydrophobicContact CB-CG 4.46Å; V58-L227 HydrophobicContact CG1-CD1 4.11Å; V58-L227 HydrophobicContact CG1-CD2 3.68Å; V58-L227 HydrophobicContact CG1-CG 3.67Å; L59-L227 HydrophobicContact CD2-CD1 3.65Å; L59-L227 HydrophobicContact CG-CD1 4.09Å; I62-L227 HydrophobicContact CD1-CD1 3.54Å; I62-L227 HydrophobicContact CD1-CG 4.38Å; L224-L227 PolarHBondContact O-N 2.96Å; F225-L227 VanDerWaalsContact C-N 3.26Å
228L95.8Very high96.3Very high1 Ų128 Ų281%0.00515%0.153CC..SBendtrans-69.9141.7177.1-71.8173000111.1R47 L185 M186 F225 R233 L236R47-L228 PolarHBondContact NH2-O 3.36Å; L185-L228 HydrophobicContact CD2-CD1 4.38Å; M186-L228 HydrophobicContact CG-CD2 3.79Å; M186-L228 HydrophobicContact SD-CD2 4.07Å; F225-L228 HydrophobicContact CB-CD1 4.23Å; F225-L228 HydrophobicContact CD1-CD1 3.76Å; F225-L228 HydrophobicContact CE1-CD1 4.4Å; F225-L228 HydrophobicContact CG-CD1 4.13Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.3Å; L228-R233 HydrophobicContact CB-CB 4.06Å; L228-L236 HydrophobicContact CD1-CD2 3.67Å
229P94.6Very high96.4Very high41 Ų4127.2 Ų27.227%0.26615%0.148SC..  trans-50.6144.8169.3-26.632.5000111.7M186 A231 N232 R233M186-P229 HydrophobicContact CE-CG 4Å; M186-P229 WeakPolarHBondContact SD-CD 3.44Å; M186-P229 HydrophobicContact SD-CG 3.93Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 2.9Å; P229-N232 HydrophobicContact CB-CB 4.33Å; P229-N232 PolarHBondContact O-N 2.95Å; P229-N232 VanDerWaalsContact O-N 3.12Å; P229-R233 PolarHBondContact O-N 3.46Å
230P92.9Very high96.6Very high80 Ų8024.9 Ų24.952%0.51914%0.138SC..Hα-helixtrans-52.3-44.1-177.1-28.835.6000113.6R233 S234P230-R233 PolarHBondContact O-N 3.3Å; P230-S234 WeakPolarHBondContact O-CB 3.34Å; P230-S234 PolarHBondContact O-N 3.5Å
231A94.6Very high96.7Very high25 Ų2527.9 Ų27.921%0.20715%0.153CC..Hα-helixtrans-59.9-50.617700000112.1L110 I115 P229 R233 S234 L235L110-A231 HydrophobicContact CD2-CB 4.06Å; L110-A231 HydrophobicContact CG-CB 4.21Å; I115-A231 HydrophobicContact CD1-CB 3.84Å; I115-A231 WeakPolarHBondContact CD1-O 3.37Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 2.9Å; A231-R233 PolarHBondContact O-N 2.77Å; A231-S234 PolarHBondContact O-N 3.09Å; A231-L235 PolarHBondContact O-N 2.63Å
232N96.5Very high96.7Very high20 Ų2028 Ų2811%0.10715%0.154CC..Hα-helixtrans-59.6-46.5177.4-67.155.4000111.5L110 L184 P229 S234 L236L110-N232 HydrophobicContact CD2-CB 4.49Å; L184-N232 HydrophobicContact CD1-CB 4.15Å; L184-N232 PolarHBondContact O-ND2 3.24Å; P229-N232 HydrophobicContact CB-CB 4.33Å; P229-N232 PolarHBondContact O-N 2.95Å; P229-N232 VanDerWaalsContact O-N 3.12Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-S234 PolarHBondContact O-N 3.04Å; N232-L236 WeakPolarHBondContact O-CB 3.37Å; N232-L236 PolarHBondContact O-N 2.7Å
233R96.1Very high96.8Very high41 Ų4126.8 Ų26.816%0.15515%0.148CC..Hα-helixtrans-62.5-42.2180-171.7-177.9177.6-116.73111.5E44 F225 L228 P229 P230 A231 K237 F301E44-R233 IonicContact OE1-CZ 3.96Å; E44-R233 IonicContact OE1-NH1 2.66Å; E44-R233 PolarHBondContact OE1-NH1 3.11Å; E44-R233 IonicContact OE1-NH2 3.85Å; F225-R233 WeakPolarHBondContact O-CD 3.11Å; L228-R233 HydrophobicContact CB-CB 4.06Å; P229-R233 PolarHBondContact O-N 3.46Å; P230-R233 PolarHBondContact O-N 3.3Å; A231-R233 PolarHBondContact O-N 2.77Å; R233-K237 WeakPolarHBondContact O-CB 3.38Å; R233-K237 PolarHBondContact O-N 2.91Å; R233-F301 HydrophobicContact CG-CD1 4.13Å; R233-F301 HydrophobicContact CG-CE1 4.1Å; R233-F301 PolarHBondContact NH2-O 2.8Å
234S95.5Very high96.9Very high60 Ų6029.3 Ų29.342%0.4216%0.158SC..Hα-helixtrans-63-52.9178.6-172.20000111.5P230 A231 N232 L236 K237 L238P230-S234 WeakPolarHBondContact O-CB 3.34Å; P230-S234 PolarHBondContact O-N 3.5Å; A231-S234 PolarHBondContact O-N 3.09Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-S234 PolarHBondContact O-N 3.04Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L236 PolarHBondContact O-N 3.41Å; S234-K237 WeakPolarHBondContact O-CB 3.17Å; S234-K237 PolarHBondContact O-N 2.87Å; S234-K237 VanDerWaalsContact O-N 3.16Å; S234-L238 PolarHBondContact O-N 3.06Å; S234-L238 VanDerWaalsContact O-N 3.17Å
235L97.6Very high96.9Very high1 Ų132.3 Ų32.31%0.00517%0.172CC..Hα-helixtrans-62.8-40.2178.2178.360.8000112.1L110 I115 I118 I122 F176 L177 L184 A231 K237 L238 L239L110-L235 HydrophobicContact CD1-CD2 3.73Å; L110-L235 HydrophobicContact CD2-CB 4.43Å; L110-L235 HydrophobicContact CD2-CD2 4.12Å; I115-L235 HydrophobicContact CD1-CB 4.45Å; I115-L235 HydrophobicContact CG1-CB 4.35Å; I118-L235 HydrophobicContact CG2-CD1 4.16Å; I122-L235 HydrophobicContact CD1-CD1 4.05Å; F176-L235 HydrophobicContact CE1-CD2 3.82Å; L177-L235 HydrophobicContact CD2-CD2 4.11Å; L184-L235 HydrophobicContact CD1-CB 4.21Å; L184-L235 HydrophobicContact CD1-CD2 3.94Å; L184-L235 HydrophobicContact CD1-CG 4.22Å; L184-L235 HydrophobicContact CD2-CG 4.37Å; A231-L235 PolarHBondContact O-N 2.63Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.47Å; L235-L238 PolarHBondContact O-N 3.37Å; L235-L239 VanDerWaalsContact O-CB 3.31Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 PolarHBondContact O-N 2.79Å
236L98.3Very high97Very high0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-60.8-39.3176.2-176.871000111.8L184 L185 F225 L228 N232 S234 L239 L240 F301L184-L236 HydrophobicContact CD2-CB 3.99Å; L184-L236 HydrophobicContact CD2-CD1 3.8Å; L184-L236 HydrophobicContact CG-CB 4.27Å; L184-L236 HydrophobicContact CG-CD1 4.3Å; L185-L236 HydrophobicContact CD2-CD1 3.92Å; L185-L236 HydrophobicContact CD2-CD2 3.49Å; L185-L236 VanDerWaalsContact CD2-CD2 3.49Å; L185-L236 HydrophobicContact CD2-CG 4.35Å; L185-L236 HydrophobicContact CG-CD1 4.3Å; F225-L236 HydrophobicContact CD1-CD2 4.2Å; F225-L236 HydrophobicContact CD2-CD2 4.28Å; F225-L236 HydrophobicContact CE1-CD2 3.8Å; F225-L236 HydrophobicContact CE2-CD2 3.88Å; F225-L236 HydrophobicContact CG-CD2 4.42Å; F225-L236 HydrophobicContact CZ-CD2 3.61Å; L228-L236 HydrophobicContact CD1-CD2 3.67Å; N232-L236 WeakPolarHBondContact O-CB 3.37Å; N232-L236 PolarHBondContact O-N 2.7Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L236 PolarHBondContact O-N 3.41Å; L236-L239 PolarHBondContact O-N 3.25Å; L236-L240 HydrophobicContact CD1-CD1 4.1Å; L236-L240 HydrophobicContact CD1-CG 4.08Å; L236-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.97Å; L236-L240 HydrophobicContact CG-CG 4.25Å; L236-L240 WeakPolarHBondContact O-CB 3.36Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.27Å; L236-L240 PolarHBondContact O-N 3.38Å; L236-F301 HydrophobicContact CB-CZ 4.38Å; L236-F301 HydrophobicContact CD2-CE1 4.32Å; L236-F301 HydrophobicContact CD2-CZ 4.11Å; L236-F301 HydrophobicContact CG-CE1 4.49Å; L236-F301 HydrophobicContact CG-CZ 4Å
237K97.5Very high97.1Very high122 Ų12232.6 Ų32.653%0.5318%0.176SC..Hα-helixtrans-61.3-50.5176.2-174.5-179.2174.5-1730111.2R233 S234 L235 L239 L240 D241 F301R233-K237 WeakPolarHBondContact O-CB 3.38Å; R233-K237 PolarHBondContact O-N 2.91Å; S234-K237 WeakPolarHBondContact O-CB 3.17Å; S234-K237 PolarHBondContact O-N 2.87Å; S234-K237 VanDerWaalsContact O-N 3.16Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.47Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 2.96Å; K237-L240 PolarHBondContact O-N 3.29Å; K237-D241 WeakPolarHBondContact O-CB 3.24Å; K237-D241 PolarHBondContact O-N 3.12Å; K237-F301 HydrophobicContact CB-CD1 3.9Å; K237-F301 HydrophobicContact CB-CD2 4.28Å; K237-F301 HydrophobicContact CB-CE1 3.63Å; K237-F301 HydrophobicContact CB-CE2 4.03Å; K237-F301 HydrophobicContact CB-CG 4.22Å; K237-F301 HydrophobicContact CB-CZ 3.71Å; K237-F301 HydrophobicContact CD-CB 4.46Å; K237-F301 HydrophobicContact CD-CD1 4.39Å; K237-F301 HydrophobicContact CD-CG 4.24Å; K237-F301 HydrophobicContact CG-CD1 4.17Å; K237-F301 HydrophobicContact CG-CD2 3.96Å; K237-F301 HydrophobicContact CG-CE1 4.3Å; K237-F301 HydrophobicContact CG-CE2 4.11Å; K237-F301 HydrophobicContact CG-CG 3.99Å; K237-F301 HydrophobicContact CG-CZ 4.28Å
238L98.1Very high97.2Very high64 Ų6438.6 Ų38.634%0.33520%0.197SC..Hα-helixtrans-61.1-44.2178.7-65.1171.3000111.6C119 I122 S234 L235 D241 L242C119-L238 VanDerWaalsContact SG-CD1 3.53Å; I122-L238 HydrophobicContact CD1-CB 3.95Å; S234-L238 PolarHBondContact O-N 3.06Å; S234-L238 VanDerWaalsContact O-N 3.17Å; L235-L238 PolarHBondContact O-N 3.37Å; L238-D241 PolarHBondContact O-N 2.91Å; L238-L242 PolarHBondContact O-N 3.4Å
239L98.6Very high97.2Very high1 Ų139.8 Ų39.81%0.00521%0.205CC..Hα-helixtrans-62.3-51.2177.717864.9000111.8L173 L177 L184 L235 L236 K237 D241 L242 L243 F264 I268L173-L239 HydrophobicContact CD2-CD1 4.1Å; L177-L239 HydrophobicContact CD1-CD1 4.13Å; L177-L239 HydrophobicContact CD1-CD2 3.71Å; L177-L239 HydrophobicContact CD2-CD2 4.39Å; L184-L239 HydrophobicContact CD2-CD2 3.93Å; L235-L239 VanDerWaalsContact O-CB 3.31Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 PolarHBondContact O-N 2.79Å; L236-L239 PolarHBondContact O-N 3.25Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 2.96Å; L239-D241 VanDerWaalsContact C-N 3.25Å; L239-D241 PolarHBondContact O-N 3.44Å; L239-L242 PolarHBondContact O-N 3Å; L239-L243 HydrophobicContact CD1-CD1 4.1Å; L239-L243 HydrophobicContact CD1-CG 4.2Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 HydrophobicContact CG-CG 4.44Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 3.19Å; L239-F264 HydrophobicContact CD1-CD1 4.21Å; L239-F264 HydrophobicContact CD1-CE1 3.69Å; L239-F264 HydrophobicContact CD1-CZ 4.31Å; L239-F264 HydrophobicContact CD2-CD1 4.34Å; L239-I268 HydrophobicContact CD2-CG2 3.87Å
240L98.5Very high97.4Very high0 Ų042.7 Ų42.70%022%0.215CC..Hα-helixtrans-66.2-29.4-178.3-71.9-178.2000112.3F225 L236 K237 Y244 L293 I294 F301F225-L240 HydrophobicContact CE2-CD1 4.26Å; F225-L240 HydrophobicContact CZ-CD1 4.41Å; L236-L240 HydrophobicContact CD1-CD1 4.1Å; L236-L240 HydrophobicContact CD1-CG 4.08Å; L236-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.97Å; L236-L240 HydrophobicContact CG-CG 4.25Å; L236-L240 WeakPolarHBondContact O-CB 3.36Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.27Å; L236-L240 PolarHBondContact O-N 3.38Å; K237-L240 PolarHBondContact O-N 3.29Å; L240-Y244 WeakPolarHBondContact O-CB 3.42Å; L240-Y244 PolarHBondContact O-N 3.05Å; L240-L293 HydrophobicContact CD1-CB 4.11Å; L240-L293 HydrophobicContact CD2-CB 4.03Å; L240-I294 HydrophobicContact CD2-CG1 4.04Å; L240-F301 HydrophobicContact CD1-CE2 3.97Å; L240-F301 HydrophobicContact CD1-CZ 4Å
241D98.1Very high97.6Very high64 Ų6445.1 Ų45.134%0.34222%0.219SC..Hα-helixtrans-68-48173.5-16360.9000111.5K237 L238 L239 L243 Y244 H245 Q298K237-D241 WeakPolarHBondContact O-CB 3.24Å; K237-D241 PolarHBondContact O-N 3.12Å; L238-D241 PolarHBondContact O-N 2.91Å; L239-D241 VanDerWaalsContact C-N 3.25Å; L239-D241 PolarHBondContact O-N 3.44Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.29Å; D241-Y244 WeakPolarHBondContact O-CB 3.47Å; D241-Y244 PolarHBondContact O-N 3.35Å; D241-H245 PolarHBondContact O-CD2 2.88Å; D241-H245 VanDerWaalsContact O-CD2 3.25Å; D241-H245 PolarHBondContact O-N 2.9Å; D241-H245 IonicContact OD1-CD2 3.61Å; D241-H245 IonicContact OD1-NE2 3.66Å; D241-H245 IonicContact OD2-CD2 3.06Å; D241-H245 IonicContact OD2-NE2 3.34Å; D241-Q298 PolarHBondContact OD1-NE2 2.94Å
242L98.6Very high97.7Very high5 Ų548.6 Ų48.63%0.02623%0.233CC..Hα-helixtrans-56.3-46.9173.4176.463.6000111.9I122 L125 L129 F135 L173 L238 L239 H245 T246I122-L242 HydrophobicContact CB-CD2 4.44Å; I122-L242 HydrophobicContact CG1-CD2 4.28Å; I122-L242 HydrophobicContact CG2-CB 4.31Å; I122-L242 HydrophobicContact CG2-CD2 4.21Å; L125-L242 HydrophobicContact CB-CD1 3.88Å; L125-L242 HydrophobicContact CB-CD2 4Å; L125-L242 HydrophobicContact CD1-CD2 4.03Å; L129-L242 HydrophobicContact CD2-CD1 3.96Å; F135-L242 HydrophobicContact CZ-CD2 3.85Å; F135-L242 HydrophobicContact CZ-CG 4.3Å; L173-L242 HydrophobicContact CD2-CD2 3.89Å; L238-L242 PolarHBondContact O-N 3.4Å; L239-L242 PolarHBondContact O-N 3Å; L242-H245 PolarHBondContact O-N 3.33Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 3.48Å; L242-T246 PolarHBondContact O-OG1 3.01Å
243L98.6Very high97.7Very high0 Ų047.7 Ų47.70%023%0.227CC..Hα-helixtrans-67.3-36.2179.4-64.6179.9000112.2F135 L239 D241 T246 A247 L260 F264 I294F135-L243 HydrophobicContact CD2-CD2 4.29Å; F135-L243 HydrophobicContact CE2-CD2 3.97Å; F135-L243 HydrophobicContact CZ-CD2 4.33Å; L239-L243 HydrophobicContact CD1-CD1 4.1Å; L239-L243 HydrophobicContact CD1-CG 4.2Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 HydrophobicContact CG-CG 4.44Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 3.19Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.29Å; L243-T246 PolarHBondContact O-N 3.12Å; L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 2.97Å; L243-L260 HydrophobicContact CB-CD1 4.44Å; L243-L260 HydrophobicContact CD2-CD1 4.36Å; L243-L260 HydrophobicContact CD2-CD2 4.18Å; L243-L260 WeakPolarHBondContact O-CD1 3.5Å; L243-F264 HydrophobicContact CD1-CB 4.44Å; L243-F264 HydrophobicContact CD1-CD1 4.22Å; L243-F264 HydrophobicContact CD1-CD2 3.98Å; L243-F264 HydrophobicContact CD1-CE2 4.29Å; L243-F264 HydrophobicContact CD1-CG 3.94Å; L243-F264 HydrophobicContact CD2-CD2 3.81Å; L243-F264 HydrophobicContact CD2-CE1 4.46Å; L243-F264 HydrophobicContact CD2-CE2 3.39Å; L243-F264 HydrophobicContact CD2-CZ 3.75Å; L243-F264 HydrophobicContact CG-CE2 4.46Å; L243-I294 HydrophobicContact CB-CD1 4.19Å; L243-I294 HydrophobicContact CB-CG1 3.97Å; L243-I294 HydrophobicContact CB-CG2 4.13Å; L243-I294 HydrophobicContact CD1-CD1 4Å; L243-I294 HydrophobicContact CD1-CG1 4.11Å
244Y98.5Very high97.8Very high53 Ų5350.7 Ų50.721%0.20824%0.242CC..Hα-helixtrans-61.8-48.5174.3171.8-103.5000111.2L240 D241 A247 R248 I294 S297 Q298L240-Y244 WeakPolarHBondContact O-CB 3.42Å; L240-Y244 PolarHBondContact O-N 3.05Å; D241-Y244 WeakPolarHBondContact O-CB 3.47Å; D241-Y244 PolarHBondContact O-N 3.35Å; Y244-A247 PolarHBondContact O-N 3.03Å; Y244-R248 VanDerWaalsContact CE1-CD 3.42Å; Y244-R248 HydrophobicContact CE1-CG 4.37Å; Y244-R248 HydrophobicContact CE2-CG 4.43Å; Y244-R248 VanDerWaalsContact CZ-CD 3.49Å; Y244-R248 WeakPolarHBondContact O-CG 3.17Å; Y244-R248 PolarHBondContact O-N 3.5Å; Y244-I294 WeakPolarHBondContact CD2-O 3.27Å; Y244-S297 WeakPolarHBondContact CB-OG 3.48Å; Y244-Q298 HydrophobicContact CD1-CG 4.38Å; Y244-Q298 HydrophobicContact CE1-CG 3.99Å
245H98.4Very high97.9Very high65 Ų6547.9 Ų47.930%0.30122%0.222SC..Hα-helixtrans-66.9-36.1177.5-78.3-72.3000112.9L129 D241 L242 R248 S249L129-H245 HydrophobicContact CD1-CB 3.72Å; D241-H245 PolarHBondContact O-CD2 2.88Å; D241-H245 VanDerWaalsContact O-CD2 3.25Å; D241-H245 PolarHBondContact O-N 2.9Å; D241-H245 IonicContact OD1-CD2 3.61Å; D241-H245 IonicContact OD1-NE2 3.66Å; D241-H245 IonicContact OD2-CD2 3.06Å; D241-H245 IonicContact OD2-NE2 3.34Å; L242-H245 PolarHBondContact O-N 3.33Å; H245-R248 PolarHBondContact O-N 2.88Å; H245-S249 PolarHBondContact O-N 3.37Å; H245-S249 PolarHBondContact O-OG 3.39Å; H245-S249 VanDerWaalsContact O-OG 3.07Å
246T98.3Very high98Very high0 Ų048.9 Ų48.90%023%0.229CC..Hα-helixtrans-60.1-48.2171.5-54.90000110.6L129 L134 F135 L242 L243 R248 S249 N253 M255 L260L129-T246 WeakPolarHBondContact CD2-OG1 3.04Å; L134-T246 HydrophobicContact CD2-CG2 4.28Å; F135-T246 HydrophobicContact CD2-CG2 4.36Å; F135-T246 HydrophobicContact CE2-CG2 4.25Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 3.48Å; L242-T246 PolarHBondContact O-OG1 3.01Å; L243-T246 PolarHBondContact O-N 3.12Å; T246-R248 VanDerWaalsContact C-N 3.34Å; T246-R248 PolarHBondContact O-N 3.36Å; T246-S249 CarbonylContact O-C 3.59Å; T246-S249 PolarHBondContact O-N 3.42Å; T246-S249 VanDerWaalsContact O-N 3.09Å; T246-N253 PolarHBondContact O-ND2 3.21Å; T246-M255 HydrophobicContact CG2-CB 4.26Å; T246-L260 HydrophobicContact CG2-CD1 3.93Å; T246-L260 HydrophobicContact CG2-CD2 4.09Å
247A97.9Very high97.9Very high15 Ų1549.4 Ų49.412%0.12423%0.233CC..Hα-helixtrans-64.1-35.1178.800000113.2L243 Y244 S249 Q250 M255 A257 L260 I294L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 2.97Å; Y244-A247 PolarHBondContact O-N 3.03Å; A247-S249 PolarHBondContact O-N 2.9Å; A247-Q250 WeakPolarHBondContact O-CB 3.41Å; A247-Q250 WeakPolarHBondContact O-CG 3.45Å; A247-Q250 PolarHBondContact O-N 2.92Å; A247-M255 WeakPolarHBondContact CA-O 3.34Å; A247-A257 HydrophobicContact CB-CB 4.11Å; A247-L260 HydrophobicContact CB-CD1 4.01Å; A247-I294 HydrophobicContact CB-CG2 4.22Å
248R97.6Very high97.9Very high153 Ų15346.1 Ų46.158%0.57722%0.221SC*.Hα-helixtrans-65-30.2174.1-75.1-177.466.5-176.81.3112.5Y244 H245 T246 Q250Y244-R248 VanDerWaalsContact CE1-CD 3.42Å; Y244-R248 HydrophobicContact CE1-CG 4.37Å; Y244-R248 HydrophobicContact CE2-CG 4.43Å; Y244-R248 VanDerWaalsContact CZ-CD 3.49Å; Y244-R248 WeakPolarHBondContact O-CG 3.17Å; Y244-R248 PolarHBondContact O-N 3.5Å; H245-R248 PolarHBondContact O-N 2.88Å; T246-R248 VanDerWaalsContact C-N 3.34Å; T246-R248 PolarHBondContact O-N 3.36Å; R248-Q250 VanDerWaalsContact C-N 3.25Å; R248-Q250 PolarHBondContact O-N 2.88Å
249S97.4Very high97.9Very high26 Ų2646.2 Ų46.218%0.18222%0.222CC..THydrogen-bonded Turntrans-88.315.9179-52.10000113.1H245 T246 A247 H251 M252 N253H245-S249 PolarHBondContact O-N 3.37Å; H245-S249 PolarHBondContact O-OG 3.39Å; H245-S249 VanDerWaalsContact O-OG 3.07Å; T246-S249 CarbonylContact O-C 3.59Å; T246-S249 PolarHBondContact O-N 3.42Å; T246-S249 VanDerWaalsContact O-N 3.09Å; A247-S249 PolarHBondContact O-N 2.9Å; S249-H251 PolarHBondContact O-N 3.17Å; S249-M252 PolarHBondContact O-N 3.25Å; S249-N253 PolarHBondContact O-N 3.47Å; S249-N253 PolarHBondContact O-OD1 2.94Å
250Q97.3Very high97.9Very high102 Ų10246.2 Ų46.248%0.47722%0.222SC..Hα-helixtrans-55.7-25.2-176.770171.1-13.400115.1A247 R248 M252 N253 K254 M255A247-Q250 WeakPolarHBondContact O-CB 3.41Å; A247-Q250 WeakPolarHBondContact O-CG 3.45Å; A247-Q250 PolarHBondContact O-N 2.92Å; R248-Q250 VanDerWaalsContact C-N 3.25Å; R248-Q250 PolarHBondContact O-N 2.88Å; Q250-M252 PolarHBondContact O-N 3.37Å; Q250-N253 VanDerWaalsContact CA-OD1 3.27Å; Q250-N253 WeakPolarHBondContact CA-OD1 3.22Å; Q250-K254 WeakPolarHBondContact O-CA 3.41Å; Q250-K254 PolarHBondContact O-N 3.44Å; Q250-M255 WeakPolarHBondContact CB-O 3.41Å
251H96.9Very high97.8Very high130 Ų13046.2 Ų46.260%0.60222%0.222SC*.Hα-helixtrans-64.7-32.2177.563.3-75.8000111.8S249 K254S249-H251 PolarHBondContact O-N 3.17Å; H251-K254 PolarHBondContact O-NZ 3.13Å
252M97.2Very high97.7Very high99 Ų9946.4 Ų46.449%0.48823%0.225SC..Hα-helixtrans-88.8-61.2173.3-57.2-176.977.900110.9H130 S249 Q250 K254H130-M252 HydrophobicContact CB-CE 3.62Å; H130-M252 HydrophobicContact CB-SD 4.09Å; S249-M252 PolarHBondContact O-N 3.25Å; Q250-M252 PolarHBondContact O-N 3.37Å; M252-K254 PolarHBondContact O-N 2.88Å
253N97.7Very high97.6Very high0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-82.4-7.7-1696534.1000115L129 V131 G133 T246 S249 Q250 M255L129-N253 WeakPolarHBondContact O-CB 3.33Å; L129-N253 PolarHBondContact O-ND2 3.4Å; V131-N253 WeakPolarHBondContact O-CB 3.25Å; G133-N253 PolarHBondContact N-O 2.94Å; T246-N253 PolarHBondContact O-ND2 3.21Å; S249-N253 PolarHBondContact O-N 3.47Å; S249-N253 PolarHBondContact O-OD1 2.94Å; Q250-N253 VanDerWaalsContact CA-OD1 3.27Å; Q250-N253 WeakPolarHBondContact CA-OD1 3.22Å; N253-M255 PolarHBondContact O-N 2.82Å; N253-M255 WeakPolarHBondContact OD1-CB 3.37Å; N253-M255 PolarHBondContact OD1-N 3.06Å
254K97.9Very high97.6Very high105 Ų10548 Ų4846%0.45723%0.233SC..  trans6317.4-178.8-44.4-55.4179.6-170.10115.2E132 Q250 H251 M252E132-K254 HydrophobicContact CG-CG 4.01Å; Q250-K254 WeakPolarHBondContact O-CA 3.41Å; Q250-K254 PolarHBondContact O-N 3.44Å; H251-K254 PolarHBondContact O-NZ 3.13Å; M252-K254 PolarHBondContact O-N 2.88Å
255M97.8Very high97.4Very high1 Ų145.4 Ų45.41%0.00522%0.223CC..  trans-106.1101.1-178-63.9-56-60.800111.6L134 R136 T246 A247 Q250 N253 N259 L260 M263L134-M255 WeakPolarHBondContact O-CG 3.37Å; R136-M255 HydrophobicContact CB-CE 4Å; R136-M255 HydrophobicContact CB-SD 3.84Å; T246-M255 HydrophobicContact CG2-CB 4.26Å; A247-M255 WeakPolarHBondContact CA-O 3.34Å; Q250-M255 WeakPolarHBondContact CB-O 3.41Å; N253-M255 PolarHBondContact O-N 2.82Å; N253-M255 WeakPolarHBondContact OD1-CB 3.37Å; N253-M255 PolarHBondContact OD1-N 3.06Å; M255-N259 HydrophobicContact CE-CB 3.75Å; M255-L260 HydrophobicContact CB-CD2 4.12Å; M255-L260 HydrophobicContact CB-CG 4.23Å; M255-L260 HydrophobicContact CE-CD2 3.8Å; M255-L260 HydrophobicContact CE-CG 4.26Å; M255-M263 HydrophobicContact CE-CE 3.22Å; M255-M263 HydrophobicContact CE-SD 4.44Å
256S98.1Very high97.2Very high22 Ų2244.4 Ų44.415%0.15422%0.222CC..  trans-76.7163.9172.573.60000111.8I258 N259 L260S256-I258 PolarHBondContact O-N 3.45Å; S256-I258 WeakPolarHBondContact OG-CG2 3.39Å; S256-N259 WeakPolarHBondContact O-CB 3.5Å; S256-N259 PolarHBondContact O-N 3.4Å; S256-N259 VanDerWaalsContact O-N 3.12Å; S256-N259 PolarHBondContact OG-N 3.2Å; S256-N259 PolarHBondContact OG-ND2 2.88Å; S256-N259 PolarHBondContact OG-OD1 3.49Å; S256-L260 WeakPolarHBondContact O-CG 3.38Å; S256-L260 PolarHBondContact O-N 2.99Å
257A97.6Very high97Very high10 Ų1046.8 Ų46.88%0.08323%0.233CC..Hα-helixtrans-57.7-33.8176.600000113.3A247 A261 I294 R295A247-A257 HydrophobicContact CB-CB 4.11Å; A257-A261 VanDerWaalsContact O-CB 3.24Å; A257-A261 WeakPolarHBondContact O-CB 3.31Å; A257-A261 PolarHBondContact O-N 3.2Å; A257-I294 HydrophobicContact CB-CB 4.4Å; A257-I294 HydrophobicContact CB-CG2 3.97Å; A257-R295 HydrophobicContact CB-CG 3.82Å
258I96.8Very high96.9Very high54 Ų5446 Ų4628%0.27723%0.227SC..Hα-helixtrans-74.3-35.7177.9-171.362.9000111.8S256 A261 T262 A291S256-I258 PolarHBondContact O-N 3.45Å; S256-I258 WeakPolarHBondContact OG-CG2 3.39Å; I258-A261 PolarHBondContact O-N 3.01Å; I258-T262 PolarHBondContact O-N 3.38Å; I258-T262 PolarHBondContact O-OG1 3.28Å; I258-A291 HydrophobicContact CD1-CB 3.92Å
259N97.4Very high96.7Very high66 Ų6639.1 Ų39.135%0.35320%0.201SC..Hα-helixtrans-63.8-46.4174.5-66.1-2000110.5M255 S256 T262 M263M255-N259 HydrophobicContact CE-CB 3.75Å; S256-N259 WeakPolarHBondContact O-CB 3.5Å; S256-N259 PolarHBondContact O-N 3.4Å; S256-N259 VanDerWaalsContact O-N 3.12Å; S256-N259 PolarHBondContact OG-N 3.2Å; S256-N259 PolarHBondContact OG-ND2 2.88Å; S256-N259 PolarHBondContact OG-OD1 3.49Å; N259-T262 PolarHBondContact O-N 2.92Å; N259-M263 PolarHBondContact O-N 3.1Å
260L98.4Very high96.3Very high0 Ų039.8 Ų39.80%020%0.2CC..Hα-helixtrans-62.3-45.9175.8-67.1170.8000111.1F135 L243 T246 A247 M255 S256 T262 M263 F264 I294F135-L260 HydrophobicContact CB-CD2 4.33Å; F135-L260 HydrophobicContact CD2-CD2 3.68Å; F135-L260 HydrophobicContact CE2-CD2 4.49Å; F135-L260 HydrophobicContact CG-CD2 4.38Å; L243-L260 HydrophobicContact CB-CD1 4.44Å; L243-L260 HydrophobicContact CD2-CD1 4.36Å; L243-L260 HydrophobicContact CD2-CD2 4.18Å; L243-L260 WeakPolarHBondContact O-CD1 3.5Å; T246-L260 HydrophobicContact CG2-CD1 3.93Å; T246-L260 HydrophobicContact CG2-CD2 4.09Å; A247-L260 HydrophobicContact CB-CD1 4.01Å; M255-L260 HydrophobicContact CB-CD2 4.12Å; M255-L260 HydrophobicContact CB-CG 4.23Å; M255-L260 HydrophobicContact CE-CD2 3.8Å; M255-L260 HydrophobicContact CE-CG 4.26Å; S256-L260 WeakPolarHBondContact O-CG 3.38Å; S256-L260 PolarHBondContact O-N 2.99Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 2.91Å; L260-M263 HydrophobicContact CD2-CE 4.3Å; L260-M263 PolarHBondContact O-N 3.22Å; L260-M263 VanDerWaalsContact O-N 3.07Å; L260-F264 WeakPolarHBondContact O-CD2 3.31Å; L260-F264 PolarHBondContact O-N 3.03Å; L260-I294 HydrophobicContact CB-CD1 3.89Å
261A97.3Very high95.6Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-58.4-41.8179.500000113.1A257 I258 M263 F264 A265 N287 V290 A291 I294A257-A261 VanDerWaalsContact O-CB 3.24Å; A257-A261 WeakPolarHBondContact O-CB 3.31Å; A257-A261 PolarHBondContact O-N 3.2Å; I258-A261 PolarHBondContact O-N 3.01Å; A261-M263 PolarHBondContact O-N 2.9Å; A261-F264 PolarHBondContact O-N 3.05Å; A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 2.88Å; A261-N287 VanDerWaalsContact CB-O 3.26Å; A261-N287 WeakPolarHBondContact CB-O 3.38Å; A261-V290 HydrophobicContact CB-CB 3.9Å; A261-V290 HydrophobicContact CB-CG1 3.77Å; A261-A291 HydrophobicContact CB-CB 3.69Å; A261-A291 VanDerWaalsContact CB-N 3.31Å; A261-I294 HydrophobicContact CB-CD1 4.19Å
262T95.7Very high94.7Very high69 Ų6931 Ų3142%0.42316%0.159SC..Hα-helixtrans-61.1-33.8178-57.40000111.9I258 N259 L260 P266I258-T262 PolarHBondContact O-N 3.38Å; I258-T262 PolarHBondContact O-OG1 3.28Å; N259-T262 PolarHBondContact O-N 2.92Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 2.91Å; T262-P266 WeakPolarHBondContact O-CD 3.49Å
263M96.5Very high93.4Very high37 Ų3733.7 Ų33.718%0.18218%0.175CC..Hα-helixtrans-83.4-31.7178.3-64.3-166-57.800113.4F135 R136 M255 N259 L260 A261 H267F135-M263 HydrophobicContact CB-CE 3.47Å; F135-M263 VanDerWaalsContact CB-CE 3.47Å; F135-M263 WeakPolarHBondContact O-CE 3.2Å; R136-M263 WeakPolarHBondContact CA-SD 3.32Å; R136-M263 HydrophobicContact CB-CE 3.96Å; R136-M263 HydrophobicContact CB-SD 3.74Å; R136-M263 HydrophobicContact CG-SD 4.22Å; M255-M263 HydrophobicContact CE-CE 3.22Å; M255-M263 HydrophobicContact CE-SD 4.44Å; N259-M263 PolarHBondContact O-N 3.1Å; L260-M263 HydrophobicContact CD2-CE 4.3Å; L260-M263 PolarHBondContact O-N 3.22Å; L260-M263 VanDerWaalsContact O-N 3.07Å; A261-M263 PolarHBondContact O-N 2.9Å; M263-H267 PolarHBondContact O-CD2 3.5Å
264F97.9Very high92.1Very high0 Ų034.4 Ų34.40%018%0.179CC..Hα-helixtrans-91.1-28.8-176.3-85-88.3000113.9F135 K174 L177 L239 L243 L260 A261 P266 H267 I268F135-F264 HydrophobicContact CB-CE2 3.98Å; F135-F264 AromaticContact CD1-CE2 3.71Å; F135-F264 HydrophobicContact CD1-CE2 3.71Å; F135-F264 AromaticContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD1-CZ 3.49Å; F135-F264 VanDerWaalsContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD2-CE2 4.14Å; F135-F264 HydrophobicContact CE1-CE2 4.23Å; F135-F264 AromaticContact CE1-CZ 3.7Å; F135-F264 HydrophobicContact CE1-CZ 3.7Å; F135-F264 AromaticContact CG-CE2 3.67Å; F135-F264 HydrophobicContact CG-CE2 3.67Å; F135-F264 AromaticContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CZ-CZ 4.28Å; K174-F264 HydrophobicContact CD-CZ 4.46Å; K174-F264 HydrophobicContact CG-CE1 3.95Å; K174-F264 HydrophobicContact CG-CE2 4.33Å; K174-F264 HydrophobicContact CG-CZ 3.8Å; L177-F264 HydrophobicContact CD1-CD1 3.96Å; L177-F264 HydrophobicContact CD1-CE1 3.76Å; L239-F264 HydrophobicContact CD1-CD1 4.21Å; L239-F264 HydrophobicContact CD1-CE1 3.69Å; L239-F264 HydrophobicContact CD1-CZ 4.31Å; L239-F264 HydrophobicContact CD2-CD1 4.34Å; L243-F264 HydrophobicContact CD1-CB 4.44Å; L243-F264 HydrophobicContact CD1-CD1 4.22Å; L243-F264 HydrophobicContact CD1-CD2 3.98Å; L243-F264 HydrophobicContact CD1-CE2 4.29Å; L243-F264 HydrophobicContact CD1-CG 3.94Å; L243-F264 HydrophobicContact CD2-CD2 3.81Å; L243-F264 HydrophobicContact CD2-CE1 4.46Å; L243-F264 HydrophobicContact CD2-CE2 3.39Å; L243-F264 HydrophobicContact CD2-CZ 3.75Å; L243-F264 HydrophobicContact CG-CE2 4.46Å; L260-F264 WeakPolarHBondContact O-CD2 3.31Å; L260-F264 PolarHBondContact O-N 3.03Å; A261-F264 PolarHBondContact O-N 3.05Å; F264-P266 VanDerWaalsContact C-CD 3.48Å; F264-P266 VanDerWaalsContact C-N 3.35Å; F264-H267 WeakPolarHBondContact O-CA 3.49Å; F264-H267 PolarHBondContact O-N 2.91Å; F264-I268 HydrophobicContact CB-CD1 4.41Å; F264-I268 HydrophobicContact CD1-CG2 4.41Å; F264-I268 WeakPolarHBondContact O-CG1 3.22Å; F264-I268 PolarHBondContact O-N 3.01Å
265A95.6Very high90.8Very high0 Ų032.8 Ų32.80%018%0.179CC..Hα-helixtrans-53.1-44.2179.800000113.3A261 H267 I268 I269 W270 N287 V290A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 2.88Å; A265-H267 PolarHBondContact O-N 2.95Å; A265-H267 VanDerWaalsContact O-N 3.09Å; A265-I268 PolarHBondContact O-N 2.81Å; A265-I269 HydrophobicContact CB-CG2 4.02Å; A265-I269 VanDerWaalsContact O-CG2 3.31Å; A265-I269 WeakPolarHBondContact O-CG2 3.43Å; A265-I269 PolarHBondContact O-N 3.05Å; A265-I269 VanDerWaalsContact O-N 3.12Å; A265-W270 VanDerWaalsContact O-CD1 3.27Å; A265-W270 PolarHBondContact O-N 3.09Å; A265-N287 VanDerWaalsContact CB-OD1 3.23Å; A265-N287 WeakPolarHBondContact CB-OD1 3.33Å; A265-V290 HydrophobicContact CB-CB 4.46Å; A265-V290 HydrophobicContact CB-CG2 3.94Å
266P93.1Very high89.6Confident44 Ų4435.4 Ų35.429%0.28620%0.2SC..Hα-helixtrans-57.7-26.7175.1-24.234.3000114.8T262 F264 W270T262-P266 WeakPolarHBondContact O-CD 3.49Å; F264-P266 VanDerWaalsContact C-CD 3.48Å; F264-P266 VanDerWaalsContact C-N 3.35Å; P266-W270 HydrophobicContact CB-CD2 3.99Å; P266-W270 HydrophobicContact CB-CE3 3.91Å; P266-W270 HydrophobicContact CB-CH2 4.37Å; P266-W270 HydrophobicContact CB-CZ2 4.44Å; P266-W270 HydrophobicContact CB-CZ3 4.11Å; P266-W270 HydrophobicContact CG-CD2 4.23Å; P266-W270 HydrophobicContact CG-CE3 4.32Å; P266-W270 HydrophobicContact CG-CH2 3.93Å; P266-W270 HydrophobicContact CG-CZ2 3.82Å; P266-W270 HydrophobicContact CG-CZ3 4.17Å
267H94.6Very high88.4Confident49 Ų4938.2 Ų38.223%0.22722%0.22CC..Hα-helixtrans-95.9-27.6-175.2-57.9-59.4000113.3L177 M263 F264 A265L177-H267 HydrophobicContact CB-CB 3.96Å; M263-H267 PolarHBondContact O-CD2 3.5Å; F264-H267 WeakPolarHBondContact O-CA 3.49Å; F264-H267 PolarHBondContact O-N 2.91Å; A265-H267 PolarHBondContact O-N 2.95Å; A265-H267 VanDerWaalsContact O-N 3.09Å
268I96.2Very high87.2Confident0 Ų040.1 Ų40.10%023%0.229CC..Hα-helixtrans-109.1-26.3-171.671.7179.4000114.9L177 P183 L184 L185 L239 F264 A265 V290L177-I268 HydrophobicContact CD1-CG2 4.06Å; P183-I268 WeakPolarHBondContact CB-O 3.45Å; L184-I268 HydrophobicContact CB-CB 4.27Å; L184-I268 HydrophobicContact CB-CG2 4.48Å; L184-I268 HydrophobicContact CD2-CG2 4.47Å; L184-I268 PolarHBondContact N-O 3.24Å; L185-I268 VanDerWaalsContact CB-O 3.3Å; L185-I268 WeakPolarHBondContact CB-O 3.38Å; L185-I268 HydrophobicContact CD1-CD1 4.26Å; L185-I268 HydrophobicContact CD1-CG1 4.16Å; L185-I268 PolarHBondContact N-O 2.91Å; L239-I268 HydrophobicContact CD2-CG2 3.87Å; F264-I268 HydrophobicContact CB-CD1 4.41Å; F264-I268 HydrophobicContact CD1-CG2 4.41Å; F264-I268 WeakPolarHBondContact O-CG1 3.22Å; F264-I268 PolarHBondContact O-N 3.01Å; A265-I268 PolarHBondContact O-N 2.81Å; I268-V290 HydrophobicContact CD1-CG1 3.84Å; I268-V290 HydrophobicContact CD1-CG2 3.97Å; I268-V290 HydrophobicContact CG1-CG2 4.31Å
269I93.9Very high86.3Confident7 Ų737.5 Ų37.54%0.03622%0.216CC..THydrogen-bonded Turntrans-127.9-26.5-172.6-166.1169.5000114.4L185 H193 A265 P271 L286 V290L185-I269 HydrophobicContact CB-CG1 4.48Å; L185-I269 HydrophobicContact CD1-CB 3.95Å; L185-I269 HydrophobicContact CD1-CD1 4.16Å; L185-I269 HydrophobicContact CD1-CG1 4.19Å; H193-I269 HydrophobicContact CB-CD1 3.47Å; H193-I269 VanDerWaalsContact CB-CD1 3.47Å; H193-I269 HydrophobicContact CB-CG1 4.47Å; H193-I269 VanDerWaalsContact CG-CD1 3.49Å; A265-I269 HydrophobicContact CB-CG2 4.02Å; A265-I269 VanDerWaalsContact O-CG2 3.31Å; A265-I269 WeakPolarHBondContact O-CG2 3.43Å; A265-I269 PolarHBondContact O-N 3.05Å; A265-I269 VanDerWaalsContact O-N 3.12Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; I269-L286 HydrophobicContact CD1-CD2 3.6Å; I269-L286 HydrophobicContact CG1-CD2 4Å; I269-L286 HydrophobicContact CG2-CB 4.27Å; I269-L286 HydrophobicContact CG2-CD2 4.18Å; I269-V290 HydrophobicContact CG2-CG2 4.09Å
270W88.4Confident85.1Confident41 Ų4142.2 Ų42.216%0.15524%0.235CC..SBendtrans-64.8131.6-178.3-71.717.8000110.7P183 A265 P266 K272 A276 L279 I283P183-W270 WeakPolarHBondContact CG-O 3.47Å; A265-W270 VanDerWaalsContact O-CD1 3.27Å; A265-W270 PolarHBondContact O-N 3.09Å; P266-W270 HydrophobicContact CB-CD2 3.99Å; P266-W270 HydrophobicContact CB-CE3 3.91Å; P266-W270 HydrophobicContact CB-CH2 4.37Å; P266-W270 HydrophobicContact CB-CZ2 4.44Å; P266-W270 HydrophobicContact CB-CZ3 4.11Å; P266-W270 HydrophobicContact CG-CD2 4.23Å; P266-W270 HydrophobicContact CG-CE3 4.32Å; P266-W270 HydrophobicContact CG-CH2 3.93Å; P266-W270 HydrophobicContact CG-CZ2 3.82Å; P266-W270 HydrophobicContact CG-CZ3 4.17Å; W270-K272 PolarHBondContact O-N 3.35Å; W270-A276 HydrophobicContact CH2-CB 4.36Å; W270-A276 HydrophobicContact CZ3-CB 4.41Å; W270-L279 HydrophobicContact CB-CD1 4.13Å; W270-L279 HydrophobicContact CD2-CD1 3.45Å; W270-L279 VanDerWaalsContact CD2-CD1 3.45Å; W270-L279 HydrophobicContact CE3-CD1 3.75Å; W270-L279 HydrophobicContact CG-CD1 3.62Å; W270-L279 HydrophobicContact CZ3-CD1 4.4Å; W270-I283 HydrophobicContact CH2-CD1 4.41Å; W270-I283 HydrophobicContact CH2-CG1 4.36Å; W270-I283 HydrophobicContact CZ2-CD1 4.47Å; W270-I283 HydrophobicContact CZ2-CG1 3.97Å; W270-I283 HydrophobicContact CZ2-CG2 4.16Å
271P82.8Confident84.2Confident4 Ų445 Ų453%0.02626%0.264CS..PPolyproline II helixtrans-53.4133.5168.9-32.140.2000112.3V84 Y190 I269 V274V84-P271 HydrophobicContact CB-CB 3.62Å; V84-P271 HydrophobicContact CB-CG 3.95Å; V84-P271 HydrophobicContact CG1-CB 3.5Å; V84-P271 VanDerWaalsContact CG1-CB 3.5Å; V84-P271 HydrophobicContact CG1-CG 3.56Å; V84-P271 HydrophobicContact CG2-CB 4.06Å; Y190-P271 HydrophobicContact CD1-CG 4.37Å; Y190-P271 HydrophobicContact CD2-CG 3.59Å; Y190-P271 VanDerWaalsContact CE2-CD 3.49Å; Y190-P271 HydrophobicContact CE2-CG 3.8Å; Y190-P271 HydrophobicContact CG-CG 3.9Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-V274 HydrophobicContact CB-CB 4.13Å; P271-V274 HydrophobicContact CB-CG2 3.6Å; P271-V274 WeakPolarHBondContact O-CB 3.22Å; P271-V274 PolarHBondContact O-N 3.26Å
272K77Confident83.7Confident44 Ų4447 Ų4719%0.19128%0.275CS..THydrogen-bonded Turntrans-57.3146171.2-56.4-62.9-178.4174.90110.9G178 L180 P183 H187 W270 V274G178-K272 PolarHBondContact O-NZ 3.43Å; L180-K272 WeakPolarHBondContact O-CE 3.16Å; L180-K272 PolarHBondContact O-NZ 2.86Å; P183-K272 HydrophobicContact CG-CD 4.47Å; P183-K272 HydrophobicContact CG-CG 4.29Å; H187-K272 VanDerWaalsContact CE1-CG 3.5Å; H187-K272 WeakPolarHBondContact CE1-CG 3.49Å; H187-K272 PolarHBondContact NE2-N 3.12Å; W270-K272 PolarHBondContact O-N 3.35Å; K272-V274 PolarHBondContact O-N 3.04Å
273N69.9Low83.4Confident154 Ų15446 Ų4682%0.82427%0.267SS*.THydrogen-bonded Turntrans65.612.5-178.4-48-50.3000115.4
274V72Confident83Confident15 Ų1551 Ų519%0.09129%0.289CS..  trans-104.8128.6174.2-177.20000108.1V84 P85 P271 K272 D278 L279V84-V274 HydrophobicContact CB-CG2 4.14Å; V84-V274 HydrophobicContact CG2-CG2 4.05Å; P85-V274 HydrophobicContact CG-CG1 3.98Å; P85-V274 WeakPolarHBondContact O-CG2 3.41Å; P271-V274 HydrophobicContact CB-CB 4.13Å; P271-V274 HydrophobicContact CB-CG2 3.6Å; P271-V274 WeakPolarHBondContact O-CB 3.22Å; P271-V274 PolarHBondContact O-N 3.26Å; K272-V274 PolarHBondContact O-N 3.04Å; V274-D278 HydrophobicContact CG1-CB 3.4Å; V274-D278 VanDerWaalsContact CG1-CB 3.4Å; V274-L279 HydrophobicContact CG1-CD1 4.12Å; V274-L279 HydrophobicContact CG1-CD2 3.75Å; V274-L279 HydrophobicContact CG1-CG 3.54Å
275T70.4Confident82.6Confident72 Ų7254.8 Ų54.844%0.44231%0.306SS..  trans-90.2166.9179.663.10000111.3S277 D278 L279T275-S277 PolarHBondContact O-N 3.02Å; T275-S277 PolarHBondContact OG1-OG 3.44Å; T275-D278 WeakPolarHBondContact CB-OD2 3.16Å; T275-D278 PolarHBondContact N-OD2 3.06Å; T275-D278 WeakPolarHBondContact O-CB 3.5Å; T275-D278 PolarHBondContact O-N 3.34Å; T275-D278 VanDerWaalsContact OG1-CG 3.24Å; T275-D278 PolarHBondContact OG1-OD2 3.17Å; T275-L279 PolarHBondContact O-N 3.1Å
276A73.1Confident82.4Confident55 Ų5555 Ų5546%0.45531%0.307SS..THydrogen-bonded Turntrans-57.7-31.2175.400000112.6W270 L279 Q280 I283W270-A276 HydrophobicContact CH2-CB 4.36Å; W270-A276 HydrophobicContact CZ3-CB 4.41Å; A276-L279 PolarHBondContact O-N 3.25Å; A276-Q280 PolarHBondContact O-N 3.45Å; A276-I283 HydrophobicContact CB-CD1 4.03Å; A276-I283 WeakPolarHBondContact O-CD1 3.2Å
277S72.3Confident82.4Confident82 Ų8253.7 Ų53.757%0.57330%0.297SS*.THydrogen-bonded Turntrans-68-33.7174.339.90000113T275 L279 Q280T275-S277 PolarHBondContact O-N 3.02Å; T275-S277 PolarHBondContact OG1-OG 3.44Å; S277-L279 VanDerWaalsContact C-N 3.3Å; S277-Q280 WeakPolarHBondContact O-CB 3.44Å; S277-Q280 PolarHBondContact O-N 2.84Å
278D72.3Confident82.3Confident49 Ų4955.1 Ų55.126%0.26231%0.307SS..THydrogen-bonded Turntrans-75.9-21.8179-56.5-47.1000112.1V274 T275V274-D278 HydrophobicContact CG1-CB 3.4Å; V274-D278 VanDerWaalsContact CG1-CB 3.4Å; T275-D278 WeakPolarHBondContact CB-OD2 3.16Å; T275-D278 PolarHBondContact N-OD2 3.06Å; T275-D278 WeakPolarHBondContact O-CB 3.5Å; T275-D278 PolarHBondContact O-N 3.34Å; T275-D278 VanDerWaalsContact OG1-CG 3.24Å; T275-D278 PolarHBondContact OG1-OD2 3.17Å
279L78.4Confident82.2Confident0 Ų055.7 Ų55.70%031%0.313CS..THydrogen-bonded Turntrans-97.311.9176.8-65.5174000113.4P85 Y190 W270 V274 T275 A276 S277 G281 N282 I283 L286P85-L279 HydrophobicContact CG-CD2 4.23Å; Y190-L279 HydrophobicContact CE2-CD2 4.3Å; Y190-L279 WeakPolarHBondContact OH-CD2 3.5Å; W270-L279 HydrophobicContact CB-CD1 4.13Å; W270-L279 HydrophobicContact CD2-CD1 3.45Å; W270-L279 VanDerWaalsContact CD2-CD1 3.45Å; W270-L279 HydrophobicContact CE3-CD1 3.75Å; W270-L279 HydrophobicContact CG-CD1 3.62Å; W270-L279 HydrophobicContact CZ3-CD1 4.4Å; V274-L279 HydrophobicContact CG1-CD1 4.12Å; V274-L279 HydrophobicContact CG1-CD2 3.75Å; V274-L279 HydrophobicContact CG1-CG 3.54Å; T275-L279 PolarHBondContact O-N 3.1Å; A276-L279 PolarHBondContact O-N 3.25Å; S277-L279 VanDerWaalsContact C-N 3.3Å; L279-G281 PolarHBondContact O-N 2.71Å; L279-N282 WeakPolarHBondContact O-CA 3.35Å; L279-N282 PolarHBondContact O-N 3.16Å; L279-I283 HydrophobicContact CB-CD1 4.36Å; L279-I283 HydrophobicContact CB-CG1 3.81Å; L279-I283 PolarHBondContact O-N 2.9Å; L279-L286 HydrophobicContact CD1-CD1 4.42Å
280Q71.1Confident82.3Confident164 Ų16455.3 Ų55.377%0.76631%0.311SS*.THydrogen-bonded Turntrans-56.9124.2-175.6-164.4163.215.700110.6A276 S277A276-Q280 PolarHBondContact O-N 3.45Å; S277-Q280 WeakPolarHBondContact O-CB 3.44Å; S277-Q280 PolarHBondContact O-N 2.84Å
281G79.5Confident82.7Confident59 Ų5953.4 Ų53.461%0.60830%0.304SS*.THydrogen-bonded Turntrans90.9-18.7-173.300000115.7L279L279-G281 PolarHBondContact O-N 2.71Å
282N87.1Confident83.3Confident43 Ų4354.3 Ų54.323%0.2331%0.307CS..THydrogen-bonded Turntrans-100-22.4175-72-32.2000113.3L194 L279 E284 K285 L286L194-N282 HydrophobicContact CD2-CB 4.08Å; L279-N282 WeakPolarHBondContact O-CA 3.35Å; L279-N282 PolarHBondContact O-N 3.16Å; N282-E284 VanDerWaalsContact C-N 3.29Å; N282-E284 PolarHBondContact O-N 3.34Å; N282-K285 WeakPolarHBondContact O-CB 3.24Å; N282-K285 PolarHBondContact O-N 3.45Å; N282-K285 VanDerWaalsContact O-N 3.09Å; N282-L286 WeakPolarHBondContact O-CG 3.48Å; N282-L286 PolarHBondContact O-N 3.46Å
283I89Confident84.3Confident48 Ų4852.2 Ų52.225%0.24630%0.298CS..Hα-helixtrans-52.3-47.7179.9-68.5167.2000111.7W270 A276 L279 K285 L286 N287W270-I283 HydrophobicContact CH2-CD1 4.41Å; W270-I283 HydrophobicContact CH2-CG1 4.36Å; W270-I283 HydrophobicContact CZ2-CD1 4.47Å; W270-I283 HydrophobicContact CZ2-CG1 3.97Å; W270-I283 HydrophobicContact CZ2-CG2 4.16Å; A276-I283 HydrophobicContact CB-CD1 4.03Å; A276-I283 WeakPolarHBondContact O-CD1 3.2Å; L279-I283 HydrophobicContact CB-CD1 4.36Å; L279-I283 HydrophobicContact CB-CG1 3.81Å; L279-I283 PolarHBondContact O-N 2.9Å; I283-K285 PolarHBondContact O-N 3.05Å; I283-L286 PolarHBondContact O-N 3.34Å; I283-N287 WeakPolarHBondContact O-CB 3.41Å; I283-N287 PolarHBondContact O-N 3.4Å; I283-N287 PolarHBondContact O-OD1 3.45Å
284E88.4Confident85.6Confident141 Ų14144.9 Ų44.966%0.65926%0.259SS*.Hα-helixtrans-63.4-42.6-179.5-167.9-174.3165.700111.5N282 L286 N287 N288N282-E284 VanDerWaalsContact C-N 3.29Å; N282-E284 PolarHBondContact O-N 3.34Å; E284-L286 PolarHBondContact O-N 2.95Å; E284-N287 PolarHBondContact O-N 2.73Å; E284-N288 VanDerWaalsContact O-CB 3.27Å; E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.24Å; E284-N288 PolarHBondContact O-N 2.88Å; E284-N288 PolarHBondContact O-ND2 3.29Å
285K89.4Confident86.8Confident79 Ų7951.4 Ų51.434%0.34328%0.282SS..Hα-helixtrans-60.8-44.8176-60.7-178.1-177.7178.30111.5L194 E198 N282 I283 G289L194-K285 HydrophobicContact CD2-CB 4.11Å; L194-K285 HydrophobicContact CD2-CD 4.45Å; E198-K285 IonicContact OE1-NZ 2.71Å; E198-K285 PolarHBondContact OE1-NZ 3.42Å; N282-K285 WeakPolarHBondContact O-CB 3.24Å; N282-K285 PolarHBondContact O-N 3.45Å; N282-K285 VanDerWaalsContact O-N 3.09Å; I283-K285 PolarHBondContact O-N 3.05Å; K285-G289 PolarHBondContact O-N 3.27Å
286L91.6Very high88Confident4 Ų450 Ų502%0.02127%0.271CS..Hα-helixtrans-65.9-44.8178.6-65.7170000111.3Y190 L194 I269 L279 N282 I283 E284 G289 V290Y190-L286 HydrophobicContact CD2-CD2 4.42Å; Y190-L286 HydrophobicContact CE2-CD1 3.85Å; Y190-L286 HydrophobicContact CE2-CD2 3.91Å; Y190-L286 HydrophobicContact CE2-CG 4.48Å; L194-L286 HydrophobicContact CD2-CD2 3.6Å; L194-L286 HydrophobicContact CD2-CG 3.85Å; L194-L286 HydrophobicContact CG-CD2 4.26Å; I269-L286 HydrophobicContact CD1-CD2 3.6Å; I269-L286 HydrophobicContact CG1-CD2 4Å; I269-L286 HydrophobicContact CG2-CB 4.27Å; I269-L286 HydrophobicContact CG2-CD2 4.18Å; L279-L286 HydrophobicContact CD1-CD1 4.42Å; N282-L286 WeakPolarHBondContact O-CG 3.48Å; N282-L286 PolarHBondContact O-N 3.46Å; I283-L286 PolarHBondContact O-N 3.34Å; E284-L286 PolarHBondContact O-N 2.95Å; L286-G289 PolarHBondContact O-N 2.89Å; L286-V290 WeakPolarHBondContact O-CG2 3.35Å; L286-V290 PolarHBondContact O-N 3.25Å
287N93.3Very high89.1Confident17 Ų1747.7 Ų47.79%0.09125%0.251CS..Hα-helixtrans-63.9-43.7177.6-69.7-1000111.1A261 A265 I283 E284 G289 V290 A291A261-N287 VanDerWaalsContact CB-O 3.26Å; A261-N287 WeakPolarHBondContact CB-O 3.38Å; A265-N287 VanDerWaalsContact CB-OD1 3.23Å; A265-N287 WeakPolarHBondContact CB-OD1 3.33Å; I283-N287 WeakPolarHBondContact O-CB 3.41Å; I283-N287 PolarHBondContact O-N 3.4Å; I283-N287 PolarHBondContact O-OD1 3.45Å; E284-N287 PolarHBondContact O-N 2.73Å; N287-G289 VanDerWaalsContact C-N 3.34Å; N287-V290 PolarHBondContact O-N 3.41Å; N287-A291 WeakPolarHBondContact O-CB 3.38Å; N287-A291 PolarHBondContact O-N 3.4Å
288N92.3Very high90.1Very high79 Ų7948 Ų4842%0.42224%0.243SC..Hα-helixtrans-64.8-39.5175.5-73.9-25.7000111.7E284 A291 F292E284-N288 VanDerWaalsContact O-CB 3.27Å; E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.24Å; E284-N288 PolarHBondContact O-N 2.88Å; E284-N288 PolarHBondContact O-ND2 3.29Å; N288-A291 PolarHBondContact O-N 3.15Å; N288-F292 WeakPolarHBondContact O-CB 3.4Å; N288-F292 PolarHBondContact O-N 3.33Å
289G93.4Very high91.1Very high12 Ų1251.2 Ų51.212%0.12426%0.255CS..Hα-helixtrans-58.1-52.2172.300000111.6K285 L286 N287 A291 F292 L293K285-G289 PolarHBondContact O-N 3.27Å; L286-G289 PolarHBondContact O-N 2.89Å; N287-G289 VanDerWaalsContact C-N 3.34Å; G289-A291 VanDerWaalsContact C-N 3.32Å; G289-A291 PolarHBondContact O-N 3.02Å; G289-F292 WeakPolarHBondContact O-CA 3.38Å; G289-F292 VanDerWaalsContact O-CB 3.29Å; G289-F292 WeakPolarHBondContact O-CB 3.35Å; G289-F292 PolarHBondContact O-N 3.01Å; G289-F292 VanDerWaalsContact O-N 3.11Å; G289-L293 WeakPolarHBondContact O-CG 3.38Å; G289-L293 PolarHBondContact O-N 3.44Å
290V96.5Very high92Very high0 Ų051.3 Ų51.30%026%0.255CS..Hα-helixtrans-63-37.4177.2175.60000111.7A261 A265 I268 I269 L286 N287 F292 L293 I294A261-V290 HydrophobicContact CB-CB 3.9Å; A261-V290 HydrophobicContact CB-CG1 3.77Å; A265-V290 HydrophobicContact CB-CB 4.46Å; A265-V290 HydrophobicContact CB-CG2 3.94Å; I268-V290 HydrophobicContact CD1-CG1 3.84Å; I268-V290 HydrophobicContact CD1-CG2 3.97Å; I268-V290 HydrophobicContact CG1-CG2 4.31Å; I269-V290 HydrophobicContact CG2-CG2 4.09Å; L286-V290 WeakPolarHBondContact O-CG2 3.35Å; L286-V290 PolarHBondContact O-N 3.25Å; N287-V290 PolarHBondContact O-N 3.41Å; V290-F292 VanDerWaalsContact C-N 3.3Å; V290-F292 PolarHBondContact O-N 3.11Å; V290-L293 WeakPolarHBondContact O-CB 3.4Å; V290-L293 PolarHBondContact O-N 3.46Å; V290-L293 VanDerWaalsContact O-N 3.17Å; V290-I294 HydrophobicContact CG1-CD1 4.09Å; V290-I294 HydrophobicContact CG1-CG1 4.48Å; V290-I294 WeakPolarHBondContact O-CG1 3.4Å; V290-I294 PolarHBondContact O-N 3.3Å
291A96.4Very high93.1Very high1 Ų144.6 Ų44.61%0.00822%0.224CC..Hα-helixtrans-63.2-38.3174.600000111.8I258 A261 N287 N288 G289 I294 R295I258-A291 HydrophobicContact CD1-CB 3.92Å; A261-A291 HydrophobicContact CB-CB 3.69Å; A261-A291 VanDerWaalsContact CB-N 3.31Å; N287-A291 WeakPolarHBondContact O-CB 3.38Å; N287-A291 PolarHBondContact O-N 3.4Å; N288-A291 PolarHBondContact O-N 3.15Å; G289-A291 VanDerWaalsContact C-N 3.32Å; G289-A291 PolarHBondContact O-N 3.02Å; A291-I294 PolarHBondContact O-N 3Å; A291-R295 VanDerWaalsContact O-CG 3.27Å; A291-R295 WeakPolarHBondContact O-CG 3.34Å; A291-R295 PolarHBondContact O-N 3.3Å
292F96Very high93.7Very high22 Ų2247.5 Ų47.510%0.09622%0.219CC..Hα-helixtrans-62.5-45.3171.8-175.4-85.6000111.2K214 Q217 I218 F221 N288 G289 V290 I294 R295 H296K214-F292 HydrophobicContact CB-CE2 4.41Å; K214-F292 HydrophobicContact CG-CE2 4.32Å; Q217-F292 HydrophobicContact CB-CE1 3.83Å; Q217-F292 HydrophobicContact CB-CE2 4.15Å; Q217-F292 HydrophobicContact CB-CZ 3.49Å; Q217-F292 VanDerWaalsContact CB-CZ 3.49Å; I218-F292 HydrophobicContact CG1-CE1 4.05Å; I218-F292 HydrophobicContact CG1-CZ 3.88Å; F221-F292 AromaticContact CD2-CD1 3.88Å; F221-F292 HydrophobicContact CD2-CD1 3.88Å; F221-F292 AromaticContact CD2-CE1 3.86Å; F221-F292 HydrophobicContact CD2-CE1 3.86Å; F221-F292 AromaticContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CE1 4.01Å; N288-F292 WeakPolarHBondContact O-CB 3.4Å; N288-F292 PolarHBondContact O-N 3.33Å; G289-F292 WeakPolarHBondContact O-CA 3.38Å; G289-F292 VanDerWaalsContact O-CB 3.29Å; G289-F292 WeakPolarHBondContact O-CB 3.35Å; G289-F292 PolarHBondContact O-N 3.01Å; G289-F292 VanDerWaalsContact O-N 3.11Å; V290-F292 VanDerWaalsContact C-N 3.3Å; V290-F292 PolarHBondContact O-N 3.11Å; F292-I294 VanDerWaalsContact C-N 3.32Å; F292-I294 PolarHBondContact O-N 3.4Å; F292-R295 PolarHBondContact O-N 3.5Å; F292-H296 AromaticContact CD1-CD2 3.99Å; F292-H296 AromaticContact CD2-CD2 3.54Å; F292-H296 AromaticContact CD2-NE2 3.96Å; F292-H296 HydrophobicContact CE1-CB 4.38Å; F292-H296 AromaticContact CE1-CD2 3.84Å; F292-H296 AromaticContact CE2-CD2 3.38Å; F292-H296 WeakPolarHBondContact CE2-CD2 3.48Å; F292-H296 AromaticContact CE2-NE2 3.69Å; F292-H296 AromaticContact CG-CD2 3.85Å; F292-H296 AromaticContact CZ-CD2 3.55Å; F292-H296 PolarHBondContact O-CD2 2.89Å; F292-H296 PolarHBondContact O-N 3Å
293L97.6Very high94Very high1 Ų145.8 Ų45.81%0.00521%0.211CC..Hα-helixtrans-56.8-46176.5-61.8-177.5000111.7L185 F221 F225 L240 G289 V290 H296 S297 L300L185-L293 HydrophobicContact CD1-CD1 4.01Å; F221-L293 HydrophobicContact CB-CD2 4.4Å; F221-L293 HydrophobicContact CD1-CD2 3.76Å; F221-L293 HydrophobicContact CD2-CD2 3.65Å; F221-L293 HydrophobicContact CE1-CD2 3.87Å; F221-L293 HydrophobicContact CE2-CD2 3.71Å; F221-L293 HydrophobicContact CG-CD2 3.67Å; F221-L293 HydrophobicContact CZ-CD2 3.82Å; F225-L293 HydrophobicContact CE1-CD2 4.48Å; F225-L293 HydrophobicContact CZ-CD1 4.21Å; F225-L293 HydrophobicContact CZ-CD2 3.74Å; L240-L293 HydrophobicContact CD1-CB 4.11Å; L240-L293 HydrophobicContact CD2-CB 4.03Å; G289-L293 WeakPolarHBondContact O-CG 3.38Å; G289-L293 PolarHBondContact O-N 3.44Å; V290-L293 WeakPolarHBondContact O-CB 3.4Å; V290-L293 PolarHBondContact O-N 3.46Å; V290-L293 VanDerWaalsContact O-N 3.17Å; L293-H296 PolarHBondContact O-N 3.42Å; L293-S297 WeakPolarHBondContact O-CA 3.29Å; L293-S297 PolarHBondContact O-N 3.11Å; L293-L300 HydrophobicContact CB-CD1 4.19Å; L293-L300 HydrophobicContact CD2-CD1 3.68Å; L293-L300 WeakPolarHBondContact O-CD1 3.33Å
294I98Very high94.3Very high0 Ų043.8 Ų43.80%020%0.202CC..Hα-helixtrans-62.8-47.7178.2-66.6167.1000110.7L240 L243 Y244 A247 A257 L260 A261 V290 A291 F292 H296L240-I294 HydrophobicContact CD2-CG1 4.04Å; L243-I294 HydrophobicContact CB-CD1 4.19Å; L243-I294 HydrophobicContact CB-CG1 3.97Å; L243-I294 HydrophobicContact CB-CG2 4.13Å; L243-I294 HydrophobicContact CD1-CD1 4Å; L243-I294 HydrophobicContact CD1-CG1 4.11Å; Y244-I294 WeakPolarHBondContact CD2-O 3.27Å; A247-I294 HydrophobicContact CB-CG2 4.22Å; A257-I294 HydrophobicContact CB-CB 4.4Å; A257-I294 HydrophobicContact CB-CG2 3.97Å; L260-I294 HydrophobicContact CB-CD1 3.89Å; A261-I294 HydrophobicContact CB-CD1 4.19Å; V290-I294 HydrophobicContact CG1-CD1 4.09Å; V290-I294 HydrophobicContact CG1-CG1 4.48Å; V290-I294 WeakPolarHBondContact O-CG1 3.4Å; V290-I294 PolarHBondContact O-N 3.3Å; A291-I294 PolarHBondContact O-N 3Å; F292-I294 VanDerWaalsContact C-N 3.32Å; F292-I294 PolarHBondContact O-N 3.4Å; I294-H296 VanDerWaalsContact C-N 3.28Å; I294-H296 PolarHBondContact O-N 3.43Å
295R96.6Very high94.6Very high151 Ų15142.8 Ų42.857%0.5721%0.205SC*.Hα-helixtrans-64.7-30.8-177.4-73.6171.1-178167.52.1113.5A257 A291 F292A257-R295 HydrophobicContact CB-CG 3.82Å; A291-R295 VanDerWaalsContact O-CG 3.27Å; A291-R295 WeakPolarHBondContact O-CG 3.34Å; A291-R295 PolarHBondContact O-N 3.3Å; F292-R295 PolarHBondContact O-N 3.5Å
296H95.6Very high94.8Very high44 Ų4442.9 Ų42.920%0.20420%0.204CC..Hα-helixtrans-113.510-172.1-63.9-61000114I218 F292 L293 I294 Q298 K299 L300I218-H296 HydrophobicContact CD1-CB 4.49Å; I218-H296 HydrophobicContact CG1-CB 4.37Å; F292-H296 AromaticContact CD1-CD2 3.99Å; F292-H296 AromaticContact CD2-CD2 3.54Å; F292-H296 AromaticContact CD2-NE2 3.96Å; F292-H296 HydrophobicContact CE1-CB 4.38Å; F292-H296 AromaticContact CE1-CD2 3.84Å; F292-H296 AromaticContact CE2-CD2 3.38Å; F292-H296 WeakPolarHBondContact CE2-CD2 3.48Å; F292-H296 AromaticContact CE2-NE2 3.69Å; F292-H296 AromaticContact CG-CD2 3.85Å; F292-H296 AromaticContact CZ-CD2 3.55Å; F292-H296 PolarHBondContact O-CD2 2.89Å; F292-H296 PolarHBondContact O-N 3Å; L293-H296 PolarHBondContact O-N 3.42Å; I294-H296 VanDerWaalsContact C-N 3.28Å; I294-H296 PolarHBondContact O-N 3.43Å; H296-Q298 PolarHBondContact O-N 3.08Å; H296-K299 PolarHBondContact O-N 2.85Å; H296-L300 HydrophobicContact CB-CD2 4.49Å; H296-L300 WeakPolarHBondContact O-CG 3.33Å
297S95.9Very high95Very high5 Ų542.7 Ų42.74%0.03520%0.203CC..Hα-helixtrans-44.6-42.2-174.262.90000114.2Y244 L293 K299 L300 F301Y244-S297 WeakPolarHBondContact CB-OG 3.48Å; L293-S297 WeakPolarHBondContact O-CA 3.29Å; L293-S297 PolarHBondContact O-N 3.11Å; S297-K299 PolarHBondContact O-N 3.3Å; S297-L300 PolarHBondContact O-N 2.97Å; S297-L300 VanDerWaalsContact O-N 3.16Å; S297-F301 WeakPolarHBondContact O-CD2 3.38Å
298Q93.8Very high95Very high89 Ų8944.5 Ų44.542%0.41621%0.21SC..Hα-helixtrans-60.1-18.3-179.7-56.6-56.1-34.100114.9D241 Y244 H296 K302D241-Q298 PolarHBondContact OD1-NE2 2.94Å; Y244-Q298 HydrophobicContact CD1-CG 4.38Å; Y244-Q298 HydrophobicContact CE1-CG 3.99Å; H296-Q298 PolarHBondContact O-N 3.08Å; Q298-K302 WeakPolarHBondContact O-CE 3.37Å
299K94.3Very high95Very high117 Ų11744.8 Ų44.851%0.50921%0.209SC..Hα-helixtrans-104-23.9179.4-62.3-177.5179.6-1750113I218 Q222 H296 S297 F301 K302I218-K299 HydrophobicContact CD1-CD 3.94Å; I218-K299 HydrophobicContact CG2-CB 4.08Å; Q222-K299 PolarHBondContact NE2-O 3.27Å; H296-K299 PolarHBondContact O-N 2.85Å; S297-K299 PolarHBondContact O-N 3.3Å; K299-F301 PolarHBondContact O-N 2.93Å; K299-K302 PolarHBondContact O-N 3.29Å
300L95.8Very high95Very high1 Ų149.1 Ų49.11%0.00522%0.222CC..Hα-helixtrans-75.3-20.8-166-58.5175.7000114.5I218 F221 Q222 F225 L293 H296 S297I218-L300 HydrophobicContact CB-CD2 4.43Å; I218-L300 HydrophobicContact CG1-CD2 4.22Å; I218-L300 HydrophobicContact CG2-CD2 4.32Å; F221-L300 HydrophobicContact CB-CD2 3.85Å; F221-L300 HydrophobicContact CD2-CD2 4.48Å; Q222-L300 WeakPolarHBondContact CA-O 3.43Å; Q222-L300 WeakPolarHBondContact CG-O 3.42Å; F225-L300 HydrophobicContact CD2-CB 3.91Å; F225-L300 HydrophobicContact CE2-CB 3.67Å; F225-L300 HydrophobicContact CE2-CD1 3.99Å; F225-L300 HydrophobicContact CE2-CG 4.42Å; F225-L300 HydrophobicContact CZ-CD1 4.45Å; L293-L300 HydrophobicContact CB-CD1 4.19Å; L293-L300 HydrophobicContact CD2-CD1 3.68Å; L293-L300 WeakPolarHBondContact O-CD1 3.33Å; H296-L300 HydrophobicContact CB-CD2 4.49Å; H296-L300 WeakPolarHBondContact O-CG 3.33Å; S297-L300 PolarHBondContact O-N 2.97Å; S297-L300 VanDerWaalsContact O-N 3.16Å
301F94.6Very high94.8Very high23 Ų2349.1 Ų49.110%0.10122%0.222CC..THydrogen-bonded Turntrans-96.69.1-177.7-64.6-85.9000113.7F225 R233 L236 K237 L240 S297 K299F225-F301 HydrophobicContact CD2-CD1 4.24Å; F225-F301 AromaticContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE2 4.45Å; F225-F301 AromaticContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CE2-CE1 4.25Å; F225-F301 HydrophobicContact CE2-CE2 4.24Å; F225-F301 AromaticContact CE2-CZ 3.88Å; F225-F301 HydrophobicContact CE2-CZ 3.88Å; R233-F301 HydrophobicContact CG-CD1 4.13Å; R233-F301 HydrophobicContact CG-CE1 4.1Å; R233-F301 PolarHBondContact NH2-O 2.8Å; L236-F301 HydrophobicContact CB-CZ 4.38Å; L236-F301 HydrophobicContact CD2-CE1 4.32Å; L236-F301 HydrophobicContact CD2-CZ 4.11Å; L236-F301 HydrophobicContact CG-CE1 4.49Å; L236-F301 HydrophobicContact CG-CZ 4Å; K237-F301 HydrophobicContact CB-CD1 3.9Å; K237-F301 HydrophobicContact CB-CD2 4.28Å; K237-F301 HydrophobicContact CB-CE1 3.63Å; K237-F301 HydrophobicContact CB-CE2 4.03Å; K237-F301 HydrophobicContact CB-CG 4.22Å; K237-F301 HydrophobicContact CB-CZ 3.71Å; K237-F301 HydrophobicContact CD-CB 4.46Å; K237-F301 HydrophobicContact CD-CD1 4.39Å; K237-F301 HydrophobicContact CD-CG 4.24Å; K237-F301 HydrophobicContact CG-CD1 4.17Å; K237-F301 HydrophobicContact CG-CD2 3.96Å; K237-F301 HydrophobicContact CG-CE1 4.3Å; K237-F301 HydrophobicContact CG-CE2 4.11Å; K237-F301 HydrophobicContact CG-CG 3.99Å; K237-F301 HydrophobicContact CG-CZ 4.28Å; L240-F301 HydrophobicContact CD1-CE2 3.97Å; L240-F301 HydrophobicContact CD1-CZ 4Å; S297-F301 WeakPolarHBondContact O-CD2 3.38Å; K299-F301 PolarHBondContact O-N 2.93Å
302K92.3Very high94.6Very high120 Ų12054 Ų5452%0.52224%0.24SC..SBendtrans-95.7137.8176-60.9-179-178.8-175.60109.5Q222 Q298 K299Q222-K302 VanDerWaalsContact CD-O 3.22Å; Q222-K302 VanDerWaalsContact CG-O 3.24Å; Q222-K302 WeakPolarHBondContact CG-O 3.25Å; Q222-K302 PolarHBondContact NE2-O 3.4Å; Q298-K302 WeakPolarHBondContact O-CE 3.37Å; K299-K302 PolarHBondContact O-N 3.29Å
303A93.8Very high94.4Very high7 Ų757.5 Ų57.56%0.05826%0.259CS..PPolyproline II helixtrans-66.7141.3172.600000111.2D40 V43 M226 K308D40-A303 PolarHBondContact OD2-N 3.37Å; V43-A303 HydrophobicContact CB-CB 4.42Å; V43-A303 HydrophobicContact CG1-CB 4.07Å; V43-A303 HydrophobicContact CG2-CB 3.97Å; M226-A303 HydrophobicContact SD-CB 4.04Å; A303-K308 HydrophobicContact CB-CG 3.87Å; A303-K308 WeakPolarHBondContact O-CE 3.23Å
304P95.3Very high94.1Very high7 Ų760.6 Ų60.65%0.04527%0.273CS..PPolyproline II helixtrans-58.2146.7170.7-23.633.7000111.6E219 Q222 L223 M226 Y306 I307 K308E219-P304 HydrophobicContact CG-CG 4.39Å; Q222-P304 HydrophobicContact CB-CG 4.13Å; L223-P304 HydrophobicContact CD2-CG 4.07Å; L223-P304 HydrophobicContact CG-CG 4.21Å; M226-P304 HydrophobicContact CE-CG 4.39Å; P304-Y306 VanDerWaalsContact C-N 3.29Å; P304-Y306 HydrophobicContact CB-CD1 3.96Å; P304-Y306 HydrophobicContact CB-CE1 3.45Å; P304-Y306 VanDerWaalsContact CB-CE1 3.45Å; P304-Y306 HydrophobicContact CB-CE2 4.23Å; P304-Y306 HydrophobicContact CG-CE1 4.39Å; P304-Y306 PolarHBondContact O-N 3.07Å; P304-I307 HydrophobicContact CB-CG1 4.23Å; P304-I307 HydrophobicContact CG-CG1 4.28Å; P304-I307 WeakPolarHBondContact O-CB 3.41Å; P304-I307 PolarHBondContact O-N 3.33Å; P304-K308 PolarHBondContact O-N 2.83Å; P304-K308 VanDerWaalsContact O-N 3.16Å
305V93.4Very high93.6Very high120 Ų12062.4 Ų62.473%0.72728%0.28SS*.Hα-helixtrans-55.7-42.9-172.5179.70000112.2I307 K308 E309V305-I307 VanDerWaalsContact C-N 3.32Å; V305-I307 PolarHBondContact O-N 2.86Å; V305-K308 WeakPolarHBondContact O-CB 3.4Å; V305-K308 PolarHBondContact O-N 3.32Å; V305-E309 PolarHBondContact O-N 2.85Å
306Y93.8Very high93.1Very high81 Ų8158.2 Ų58.232%0.31827%0.271SS..Hα-helixtrans-67-30.5179.859.7-96.9000113.2N61 E219 P304 Y310N61-Y306 HydrophobicContact CB-CE2 4.31Å; N61-Y306 VanDerWaalsContact CG-CE2 3.46Å; N61-Y306 WeakPolarHBondContact OD1-CE2 3.27Å; N61-Y306 PolarHBondContact OD1-OH 3.38Å; E219-Y306 WeakPolarHBondContact OE1-CE1 3.26Å; E219-Y306 VanDerWaalsContact OE1-CZ 3.28Å; E219-Y306 PolarHBondContact OE1-OH 3.37Å; P304-Y306 VanDerWaalsContact C-N 3.29Å; P304-Y306 HydrophobicContact CB-CD1 3.96Å; P304-Y306 HydrophobicContact CB-CE1 3.45Å; P304-Y306 VanDerWaalsContact CB-CE1 3.45Å; P304-Y306 HydrophobicContact CB-CE2 4.23Å; P304-Y306 HydrophobicContact CG-CE1 4.39Å; P304-Y306 PolarHBondContact O-N 3.07Å; Y306-Y310 VanDerWaalsContact O-CB 3.31Å; Y306-Y310 WeakPolarHBondContact O-CB 3.39Å; Y306-Y310 PolarHBondContact O-N 3.18Å
307I95.6Very high91.6Very high0 Ų058 Ų580%028%0.281CS..Hα-helixtrans-69-41.1173.7-62.3-62.7000109.9V43 F54 L57 L223 M226 P304 V305 Y310 A311V43-I307 HydrophobicContact CG1-CG2 4.06Å; V43-I307 HydrophobicContact CG2-CG2 4.26Å; F54-I307 HydrophobicContact CE2-CG2 4.37Å; L57-I307 HydrophobicContact CD1-CD1 4.31Å; L57-I307 HydrophobicContact CD2-CD1 3.73Å; L57-I307 HydrophobicContact CG-CD1 3.75Å; L223-I307 HydrophobicContact CD2-CD1 4.34Å; L223-I307 HydrophobicContact CD2-CG1 4.18Å; M226-I307 HydrophobicContact CE-CG1 4.23Å; M226-I307 HydrophobicContact CE-CG2 4.39Å; M226-I307 HydrophobicContact SD-CG2 4.32Å; P304-I307 HydrophobicContact CB-CG1 4.23Å; P304-I307 HydrophobicContact CG-CG1 4.28Å; P304-I307 WeakPolarHBondContact O-CB 3.41Å; P304-I307 PolarHBondContact O-N 3.33Å; V305-I307 VanDerWaalsContact C-N 3.32Å; V305-I307 PolarHBondContact O-N 2.86Å; I307-Y310 PolarHBondContact O-N 2.86Å; I307-A311 WeakPolarHBondContact O-CB 3.44Å; I307-A311 PolarHBondContact O-N 3.4Å
308K93.8Very high89.8Confident54 Ų5461.7 Ų61.724%0.23531%0.307CS..Hα-helixtrans-61.9-45.6175.9-57-170.7-163.1-155.40111.4D40 V43 A303 P304 V305 A311 R312D40-K308 WeakPolarHBondContact OD1-CE 3.33Å; D40-K308 IonicContact OD1-NZ 3.65Å; D40-K308 PolarHBondContact OD1-NZ 3.31Å; V43-K308 HydrophobicContact CG2-CB 4.31Å; V43-K308 HydrophobicContact CG2-CG 3.98Å; A303-K308 HydrophobicContact CB-CG 3.87Å; A303-K308 WeakPolarHBondContact O-CE 3.23Å; P304-K308 PolarHBondContact O-N 2.83Å; P304-K308 VanDerWaalsContact O-N 3.16Å; V305-K308 WeakPolarHBondContact O-CB 3.4Å; V305-K308 PolarHBondContact O-N 3.32Å; K308-A311 PolarHBondContact O-N 3.29Å; K308-R312 VanDerWaalsContact O-CB 3.29Å; K308-R312 WeakPolarHBondContact O-CB 3.37Å; K308-R312 PolarHBondContact O-N 3.37Å
309E92.8Very high87.5Confident86 Ų8666.6 Ų66.640%0.40233%0.327SS..Hα-helixtrans-66-42.7-180-166.957.6-151.500111.3V305 A311 R312 L313V305-E309 PolarHBondContact O-N 2.85Å; E309-A311 PolarHBondContact O-N 3.16Å; E309-R312 PolarHBondContact O-N 2.86Å; E309-L313 HydrophobicContact CG-CD1 4.08Å; E309-L313 HydrophobicContact CG-CG 4.44Å; E309-L313 WeakPolarHBondContact O-CB 3.11Å; E309-L313 VanDerWaalsContact O-CG 3.3Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 3.3Å
310Y93.4Very high85Confident102 Ų10267 Ų6740%0.434%0.339SS..Hα-helixtrans-58.1-49.7174.3-175.7-85.1000111.7F46 L57 Y306 I307 R312 L313 F314F46-Y310 HydrophobicContact CE1-CD1 4.1Å; F46-Y310 AromaticContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CZ-CD1 4.45Å; F46-Y310 AromaticContact CZ-CE1 3.78Å; F46-Y310 HydrophobicContact CZ-CE1 3.78Å; L57-Y310 HydrophobicContact CD2-CD1 3.46Å; L57-Y310 VanDerWaalsContact CD2-CD1 3.46Å; L57-Y310 HydrophobicContact CD2-CE1 3.83Å; L57-Y310 HydrophobicContact CD2-CG 3.94Å; Y306-Y310 VanDerWaalsContact O-CB 3.31Å; Y306-Y310 WeakPolarHBondContact O-CB 3.39Å; Y306-Y310 PolarHBondContact O-N 3.18Å; I307-Y310 PolarHBondContact O-N 2.86Å; Y310-R312 PolarHBondContact O-N 3.39Å; Y310-L313 PolarHBondContact O-N 3.47Å; Y310-F314 WeakPolarHBondContact O-CB 3.48Å; Y310-F314 PolarHBondContact O-N 3.47Å
311A93.1Very high82.5Confident1 Ų174.6 Ų74.61%0.00838%0.379CS..Hα-helixtrans-64-39.7179.300000112.1F42 V43 F46 I307 K308 E309 F314 Y315F42-A311 HydrophobicContact CB-CB 4.05Å; V43-A311 HydrophobicContact CG2-CB 4.1Å; F46-A311 HydrophobicContact CB-CB 4.13Å; F46-A311 HydrophobicContact CD1-CB 4.39Å; F46-A311 HydrophobicContact CG-CB 4.45Å; I307-A311 WeakPolarHBondContact O-CB 3.44Å; I307-A311 PolarHBondContact O-N 3.4Å; K308-A311 PolarHBondContact O-N 3.29Å; E309-A311 PolarHBondContact O-N 3.16Å; A311-F314 PolarHBondContact O-N 2.89Å; A311-Y315 VanDerWaalsContact O-CD2 3.23Å; A311-Y315 WeakPolarHBondContact O-CD2 3.47Å; A311-Y315 PolarHBondContact O-N 3.27Å
312R92Very high79.8Confident102 Ų10282.3 Ų82.339%0.38542%0.415SS..Hα-helixtrans-60.3-52.7174.5177-173.6149.8108.32.6110.5F42 K308 E309 Y310 F314 Y315 T316F42-R312 HydrophobicContact CD2-CB 4.18Å; F42-R312 HydrophobicContact CD2-CG 4.37Å; F42-R312 HydrophobicContact CE2-CG 4.31Å; K308-R312 VanDerWaalsContact O-CB 3.29Å; K308-R312 WeakPolarHBondContact O-CB 3.37Å; K308-R312 PolarHBondContact O-N 3.37Å; E309-R312 PolarHBondContact O-N 2.86Å; Y310-R312 PolarHBondContact O-N 3.39Å; R312-F314 VanDerWaalsContact C-N 3.3Å; R312-F314 PolarHBondContact O-N 3.09Å; R312-Y315 PolarHBondContact O-N 3.11Å; R312-Y315 VanDerWaalsContact O-N 3.16Å; R312-T316 HydrophobicContact CG-CG2 4.18Å; R312-T316 PolarHBondContact O-N 3.27Å; R312-T316 PolarHBondContact O-OG1 2.84Å
313L91.4Very high77.6Confident96 Ų9681 Ų8150%0.50342%0.421SS..Hα-helixtrans-61-37.2-179.5-72.8172.4000112.6E309 Y310 Y315 G317E309-L313 HydrophobicContact CG-CD1 4.08Å; E309-L313 HydrophobicContact CG-CG 4.44Å; E309-L313 WeakPolarHBondContact O-CB 3.11Å; E309-L313 VanDerWaalsContact O-CG 3.3Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 3.3Å; Y310-L313 PolarHBondContact O-N 3.47Å; L313-Y315 VanDerWaalsContact C-N 3.26Å; L313-Y315 PolarHBondContact O-N 2.79Å; L313-G317 WeakPolarHBondContact O-CA 3.33Å; L313-G317 PolarHBondContact O-N 3Å
314F90.5Very high75Confident67 Ų6787.5 Ų87.529%0.29446%0.455SS..Hα-helixtrans-54.8-42.5175.6-173.3-89.4000111.9F46 H50 Y310 A311 R312 S318F46-F314 AromaticContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CE1 4.06Å; F46-F314 HydrophobicContact CD2-CG 4.16Å; F46-F314 HydrophobicContact CD2-CZ 4.47Å; F46-F314 AromaticContact CE2-CD1 3.88Å; F46-F314 HydrophobicContact CE2-CD1 3.88Å; F46-F314 AromaticContact CE2-CD2 3.83Å; F46-F314 HydrophobicContact CE2-CD2 3.83Å; F46-F314 AromaticContact CE2-CE1 3.88Å; F46-F314 HydrophobicContact CE2-CE1 3.88Å; F46-F314 AromaticContact CE2-CE2 3.82Å; F46-F314 HydrophobicContact CE2-CE2 3.82Å; F46-F314 AromaticContact CE2-CG 3.86Å; F46-F314 HydrophobicContact CE2-CG 3.86Å; F46-F314 AromaticContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CZ-CD2 4.37Å; F46-F314 HydrophobicContact CZ-CE2 4.49Å; H50-F314 AromaticContact CD2-CE1 3.39Å; H50-F314 WeakPolarHBondContact CD2-CE1 3.39Å; H50-F314 AromaticContact CD2-CZ 3.59Å; H50-F314 AromaticContact NE2-CE1 3.45Å; H50-F314 WeakPolarHBondContact NE2-CE1 3.43Å; H50-F314 AromaticContact NE2-CZ 3.63Å; Y310-F314 WeakPolarHBondContact O-CB 3.48Å; Y310-F314 PolarHBondContact O-N 3.47Å; A311-F314 PolarHBondContact O-N 2.89Å; R312-F314 VanDerWaalsContact C-N 3.3Å; R312-F314 PolarHBondContact O-N 3.09Å; F314-S318 PolarHBondContact O-OG 3.2Å
315Y88.6Confident72.4Confident38 Ų3894.8 Ų94.815%0.14949%0.494CS..Hα-helixtrans-89.9-35.4-179.5-69.9-67.4000114.4F42 R45 F46 E49 A311 R312 L313F42-Y315 AromaticContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CG 4.26Å; R45-Y315 HydrophobicContact CB-CE2 4.37Å; R45-Y315 HydrophobicContact CG-CE2 4.17Å; F46-Y315 WeakPolarHBondContact CA-OH 3.45Å; F46-Y315 HydrophobicContact CB-CE2 3.94Å; F46-Y315 HydrophobicContact CD2-CE2 4.31Å; E49-Y315 WeakPolarHBondContact OE2-CE1 3.39Å; E49-Y315 VanDerWaalsContact OE2-CZ 3.27Å; E49-Y315 PolarHBondContact OE2-OH 3.45Å; A311-Y315 VanDerWaalsContact O-CD2 3.23Å; A311-Y315 WeakPolarHBondContact O-CD2 3.47Å; A311-Y315 PolarHBondContact O-N 3.27Å; R312-Y315 PolarHBondContact O-N 3.11Å; R312-Y315 VanDerWaalsContact O-N 3.16Å; L313-Y315 VanDerWaalsContact C-N 3.26Å; L313-Y315 PolarHBondContact O-N 2.79Å
316T86.5Confident69.9Low63 Ų6397 Ų9739%0.38750%0.501SS..Hα-helixtrans-83.5-29-178.658.80000113R312 S318R312-T316 HydrophobicContact CG-CG2 4.18Å; R312-T316 PolarHBondContact O-N 3.27Å; R312-T316 PolarHBondContact O-OG1 2.84Å; T316-S318 PolarHBondContact O-N 3.19Å
317G63.9Low67.6Low40 Ų40100.4 Ų100.441%0.41252%0.524SS..G310 helixtrans-73.4-10.9179.200000114.5L313 K319 T320L313-G317 WeakPolarHBondContact O-CA 3.33Å; L313-G317 PolarHBondContact O-N 3Å; G317-K319 PolarHBondContact O-N 3.4Å; G317-T320 PolarHBondContact O-OG1 3.42Å
318S56.6Low64.7Low81 Ų81108.4 Ų108.457%0.56657%0.567SS**G310 helixtrans-73.4-3.3177.8-75.10000114.6F314 T316F314-S318 PolarHBondContact O-OG 3.2Å; T316-S318 PolarHBondContact O-N 3.19Å
319K46.5Very low62Low192 Ų192114.1 Ų114.184%0.83560%0.599SS**G310 helixtrans-88.9-7.6178.6-75.6-168.7176.5-174.60115.6G317G317-K319 PolarHBondContact O-N 3.4Å
320T42.4Very low58.9Low125 Ų125115.8 Ų115.877%0.76762%0.621SS**SBendtrans-101.712.1-178.524.30000115G317G317-T320 PolarHBondContact O-OG1 3.42Å
321L43Very low55.9Low162 Ų162116.9 Ų116.985%0.84864%0.643SS**SBendtrans-139.326.3178.4-111.8134.1000114.2
322Q38Very low52.9Low185 Ų185120.1 Ų120.186%0.86468%0.677SS**SBendtrans-124.237.8166.6-69.7-170.5-3.400111.7
323S45.2Very low50Low92 Ų92122.8 Ų122.864%0.64370%0.698SS**SBendtrans-137.1121.1169.1170.50000106.8
324N39.3Very low47.3Very low143 Ų143127.2 Ų127.277%0.76571%0.714SS**SBendtrans99.763.5-178.8-51.2-30.5000114.8
325D40.4Very low44.4Very low160 Ų160130.4 Ų130.486%0.85674%0.739SS**  -178.270.6124.4-85-17.1000109.8
326D41.6Very low41.7Very low166 Ų166132.8 Ų132.889%0.88878%0.775SS**  trans-110.560.1162.6-107.8-15.8000108.7
327L46.2Very low38.9Very low153 Ų153135.6 Ų135.680%0.80180%0.798SS**  trans-152.690.4160.3-74.4-177.7000108.2
328N33.7Very low37.4Very low169 Ų169141.9 Ų141.990%0.90482%0.82SS**  178.3104.5129.9-87.1-44.8000110.1
329L36.2Very low36.2Very low174 Ų174142.4 Ų142.491%0.91183%0.829SS**  trans-73.7139165.6-85.1159.1000110.5
330S29.3Very low35.3Very low121 Ų121138.1 Ų138.185%0.84683%0.829SS**  trans86.6102151-136.10000118.5
331S30.2Very low34.8Very low124 Ų124140 Ų14087%0.86783%0.833SS**  178.8129.8116.1-170.80000111.9
332G29.5Very low34.3Very low70 Ų70136.6 Ų136.672%0.72283%0.829SS**  trans96.399.2140.500000119.2
333N31.9Very low33.9Very low157 Ų157134.5 Ų134.584%0.8483%0.829SS**  trans-29.4131.5157.7-64.8-29.9000116
334K33.3Very low33.2Very low190 Ų190135.6 Ų135.683%0.82684%0.836SS**  165141111.1-91.5177-177.4177.40113.2
335T31Very low32.8Very low133 Ų133134.3 Ų134.382%0.81684%0.838SS**  trans63.3104150.555.20000119
336G30.9Very low32.5Very low89 Ų89132.6 Ų132.692%0.91884%0.836SS**  trans-74.7127164.600000111.8
337S28.5Very low31.9Very low122 Ų122130.6 Ų130.685%0.85384%0.835SS**  trans-129.6126.5159.1-161.60000107.5
338I31.8Very low31.2Very low172 Ų172132.5 Ų132.588%0.88284%0.839SS**  trans-74.2129.7-175.4-63.9166.5000108.9
339A30.6Very low31Very low92 Ų92129.9 Ų129.976%0.7684%0.835SS**  trans-139.3130164.300000110.5
340A29.6Very low30.9Very low102 Ų102128.7 Ų128.784%0.84383%0.834SS**  trans-69.7140.1-173.900000112.7
341I30.9Very low30.9Very low163 Ų163134.2 Ų134.284%0.83684%0.836SS**  trans-100.7115.2169.8-63.8174.8000107.9
342A32.2Very low30.8Very low92 Ų92133.1 Ų133.176%0.7683%0.829SS**  trans-72.5136169.900000110.3
343T29.1Very low30.8Very low141 Ų141137 Ų13787%0.86583%0.831SS**  trans-74.9119.2178.248.90000111.4
344S32.1Very low30.6Very low115 Ų115134.4 Ų134.480%0.80483%0.832SS**  trans-109.6126160.953.30000109.5
345S29.8Very low30.3Very low116 Ų116129.2 Ų129.281%0.81183%0.832SS**  trans-86.5147.8171.8-66.90000110.5
346P33.8Very low30.1Very low123 Ų123131.6 Ų131.680%0.79983%0.834SS**  trans-92.6145.6-175.535.1-30.6000112
347S30.1Very low29.9Very low125 Ų125133.7 Ų133.787%0.87483%0.829SS**  trans-124.4143.5166.8-77.10000111
348H31.3Very low29.8Very low192 Ų192133.1 Ų133.189%0.88983%0.825SS**  trans-61.7140.4-160.4-71.6-93.6000116.8
349S30.3Very low29.7Very low115 Ų115130.7 Ų130.780%0.80482%0.824SS**  trans-85.7134.516755.40000112
350V33.3Very low29.5Very low149 Ų149132.9 Ų132.990%0.90383%0.827SS**  trans-127.3133.4152.4177.30000108.4
351R28.8Very low29.4Very low237 Ų237133.1 Ų133.189%0.89482%0.823SS**  trans-104.4137.6-172.5179.2-176.1-159.1163.45.7109.6
352S28.4Very low29.3Very low100 Ų100132.6 Ų132.670%0.69982%0.822SS**  trans-175.4106.7142.6-173.90000110.7
353I29.3Very low29.3Very low151 Ų151136.6 Ų136.677%0.77483%0.829SS**  92.4111.2100.5-63.9170.8000114.9
354A27.7Very low29.5Very low103 Ų103138.9 Ų138.985%0.85183%0.827SS**  trans23.6134.4146.400000123.5
355G26.4Very low29.6Very low81 Ų81138.8 Ų138.884%0.83582%0.823SS**  trans175.7106.2155.800000111.2
356E28.2Very low30Very low184 Ų184136.5 Ų136.586%0.8681%0.807SS**  trans-70.5143.7178.8-66.3172.2145.900112.5
357T25.9Very low30.9Very low132 Ų132138.8 Ų138.881%0.8181%0.807SS**  168.912711936.70000111.8
358S26.5Very low31.8Very low110 Ų110139.4 Ų139.477%0.76980%0.801SS**  trans7.1120.8154.452.50000120.7
359S28.6Very low32.7Very low122 Ų122136.6 Ų136.685%0.85379%0.788SS**  -175.1144.7122.323.90000112.8
360T27.6Very low34.2Very low137 Ų137135 Ų13584%0.8478%0.776SS**  trans-48.7133.2176.644.10000115.6
361S28Very low35.9Very low107 Ų107136 Ų13675%0.74877%0.765SS**  trans-179.7127.9140.138.60000112.9
362D28.8Very low38Very low152 Ų152128.5 Ų128.581%0.81375%0.746SS**  trans28.6111.8144.4-55.4-38.7000120.1K364D362-K364 PolarHBondContact O-N 2.79Å
363I31.1Very low40.1Very low176 Ų176128.5 Ų128.590%0.90374%0.735SS**  trans-71.1105.8168.2-61171.6000109.1
364K34.6Very low42.3Very low189 Ų189124.5 Ų124.582%0.82272%0.721SS**PPolyproline II helixtrans-83.3142.1164.1-83.8179.7176.6175.80110.9D362D362-K364 PolarHBondContact O-N 2.79Å
365P33.8Very low44.1Very low113 Ų113122.2 Ų122.273%0.73470%0.698SS**PPolyproline II helixtrans-76.7154.2169.424.2-17.8000111.8
366S38.1Very low46.3Very low68 Ų68123 Ų12348%0.47668%0.682SS.*PPolyproline II helixtrans-49.5130.6-169.768.70000115.3N368 Q369S366-N368 PolarHBondContact O-N 2.63Å; S366-N368 VanDerWaalsContact O-N 3.1Å; S366-Q369 PolarHBondContact O-N 3.31Å
367E52.4Low48.6Very low172 Ų172122 Ų12280%0.80467%0.671SS**Hα-helixtrans-57.7-23.6-179-76.8178.3147.900114.8Y371E367-Y371 PolarHBondContact O-N 3.23Å
368N48.7Very low51.2Low137 Ų137122.1 Ų122.173%0.73366%0.662SS**Hα-helixtrans-75.4-28.8-178.7-73.2-12.5000113.9S366 T372S366-N368 PolarHBondContact O-N 2.63Å; S366-N368 VanDerWaalsContact O-N 3.1Å; N368-T372 PolarHBondContact O-N 3.45Å; N368-T372 PolarHBondContact O-OG1 3.19Å; N368-T372 VanDerWaalsContact O-OG1 3.12Å
369Q51.1Low53.5Low134 Ų134120.7 Ų120.763%0.62665%0.645SS**Hα-helixtrans-75.1-36.9175.6-77.2179.4-5.200111.7S366 Y371 T372 E373S366-Q369 PolarHBondContact O-N 3.31Å; Q369-Y371 PolarHBondContact O-N 3.4Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.41Å; Q369-T372 PolarHBondContact O-N 3.18Å; Q369-T372 PolarHBondContact O-OG1 3.41Å; Q369-E373 WeakPolarHBondContact O-CB 3.41Å; Q369-E373 PolarHBondContact O-N 3.36Å
370S60.9Low55.6Low80 Ų80120.2 Ų120.256%0.55963%0.626SS**Hα-helixtrans-64.7-39.8179.1-1750000112.1E373 S374S370-E373 PolarHBondContact O-N 3.41Å; S370-S374 WeakPolarHBondContact O-CB 3.33Å; S370-S374 PolarHBondContact O-N 2.76Å
371Y68.4Low58.1Low170 Ų170121.6 Ų121.667%0.66762%0.62SS**Hα-helixtrans-65.1-45.5176.4-175.4-102000112.1E367 Q369 E373 S374 C375E367-Y371 PolarHBondContact O-N 3.23Å; Q369-Y371 PolarHBondContact O-N 3.4Å; Y371-E373 VanDerWaalsContact C-N 3.34Å; Y371-E373 PolarHBondContact O-N 2.96Å; Y371-S374 PolarHBondContact O-N 3.1Å; Y371-C375 PolarHBondContact O-N 2.83Å; Y371-C375 PolarHBondContact O-SG 3.07Å
372T73.5Confident60.5Low80 Ų80122.2 Ų122.249%0.49161%0.611SS.*Hα-helixtrans-63.3-39.3176.842.60000112.6N368 Q369 L376N368-T372 PolarHBondContact O-N 3.45Å; N368-T372 PolarHBondContact O-OG1 3.19Å; N368-T372 VanDerWaalsContact O-OG1 3.12Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.41Å; Q369-T372 PolarHBondContact O-N 3.18Å; Q369-T372 PolarHBondContact O-OG1 3.41Å; T372-L376 WeakPolarHBondContact O-CG 3.16Å; T372-L376 PolarHBondContact O-N 3.09Å
373E73.5Confident62.8Low100 Ų100115.3 Ų115.347%0.46757%0.574SS.*Hα-helixtrans-69.7-38178.5-164-177.2169.400111.7Q369 S370 Y371 L376 R377Q369-E373 WeakPolarHBondContact O-CB 3.41Å; Q369-E373 PolarHBondContact O-N 3.36Å; S370-E373 PolarHBondContact O-N 3.41Å; Y371-E373 VanDerWaalsContact C-N 3.34Å; Y371-E373 PolarHBondContact O-N 2.96Å; E373-L376 PolarHBondContact O-N 3.07Å; E373-R377 WeakPolarHBondContact O-CG 3.22Å; E373-R377 PolarHBondContact O-N 2.87Å; E373-R377 IonicContact OE1-CZ 3.46Å; E373-R377 IonicContact OE1-NE 3.69Å; E373-R377 IonicContact OE1-NH2 3.99Å; E373-R377 PolarHBondContact OE1-NH2 3.18Å
374S73.5Confident64.8Low68 Ų68112 Ų11248%0.47656%0.558SS.*Hα-helixtrans-65.4-44175.9-154.60000111.6S370 Y371 L376 R377 E378S370-S374 WeakPolarHBondContact O-CB 3.33Å; S370-S374 PolarHBondContact O-N 2.76Å; Y371-S374 PolarHBondContact O-N 3.1Å; S374-L376 PolarHBondContact O-N 3.31Å; S374-R377 PolarHBondContact O-N 3.42Å; S374-E378 WeakPolarHBondContact O-CB 3.43Å; S374-E378 PolarHBondContact O-N 3.4Å
375C67.4Low66.8Low55 Ų55107.4 Ų107.437%0.37255%0.55SS.*Hα-helixtrans-62.5-39.8174.8-75.10000112.7Y371 E378 L379Y371-C375 PolarHBondContact O-N 2.83Å; Y371-C375 PolarHBondContact O-SG 3.07Å; C375-E378 PolarHBondContact O-N 2.87Å; C375-L379 WeakPolarHBondContact O-CB 3.43Å; C375-L379 PolarHBondContact O-N 3.13Å
376L71.1Confident68.8Low96 Ų96105.4 Ų105.450%0.50353%0.532SS..Hα-helixtrans-65.6-44175.9-75171.1000111.5T372 E373 S374 E378 L379 Y380T372-L376 WeakPolarHBondContact O-CG 3.16Å; T372-L376 PolarHBondContact O-N 3.09Å; E373-L376 PolarHBondContact O-N 3.07Å; S374-L376 PolarHBondContact O-N 3.31Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.33Å; L376-L379 WeakPolarHBondContact O-CB 3.48Å; L376-L379 PolarHBondContact O-N 2.88Å; L376-Y380 VanDerWaalsContact O-CD2 3.24Å; L376-Y380 WeakPolarHBondContact O-CD2 3.32Å; L376-Y380 PolarHBondContact O-N 2.81Å
377R77.1Confident70.5Confident165 Ų165107.4 Ų107.462%0.62354%0.543SS*.Hα-helixtrans-61.5-39.4176.4-75.7-179-167.8175.53.8112.2E373 S374 Y380 K381E373-R377 WeakPolarHBondContact O-CG 3.22Å; E373-R377 PolarHBondContact O-N 2.87Å; E373-R377 IonicContact OE1-CZ 3.46Å; E373-R377 IonicContact OE1-NE 3.69Å; E373-R377 IonicContact OE1-NH2 3.99Å; E373-R377 PolarHBondContact OE1-NH2 3.18Å; S374-R377 PolarHBondContact O-N 3.42Å; R377-Y380 PolarHBondContact O-N 2.72Å; R377-K381 WeakPolarHBondContact O-CB 3.12Å; R377-K381 PolarHBondContact O-N 3.08Å
378E80.3Confident71.1Confident133 Ų133105.3 Ų105.362%0.62153%0.533SS*.Hα-helixtrans-67.7-40.1177.8-167.9151.3-148.600111.8S374 C375 L376 Y380 K381 Q382S374-E378 WeakPolarHBondContact O-CB 3.43Å; S374-E378 PolarHBondContact O-N 3.4Å; C375-E378 PolarHBondContact O-N 2.87Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.33Å; E378-Y380 PolarHBondContact O-N 3.38Å; E378-K381 PolarHBondContact O-N 2.81Å; E378-Q382 WeakPolarHBondContact O-CB 3.45Å; E378-Q382 PolarHBondContact O-N 2.71Å
379L75.8Confident72.3Confident80 Ų80101.2 Ų101.242%0.41952%0.515SS..Hα-helixtrans-60.2-46.4172.9-159.988.7000111.6C375 L376 K381 Q382 V383 F399C375-L379 WeakPolarHBondContact O-CB 3.43Å; C375-L379 PolarHBondContact O-N 3.13Å; L376-L379 WeakPolarHBondContact O-CB 3.48Å; L376-L379 PolarHBondContact O-N 2.88Å; L379-K381 PolarHBondContact O-N 3.01Å; L379-Q382 PolarHBondContact O-N 3.49Å; L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.5Å; L379-V383 PolarHBondContact O-N 2.71Å; L379-F399 HydrophobicContact CD2-CE1 4.22Å; L379-F399 HydrophobicContact CD2-CZ 3.72Å
380Y72.8Confident73.1Confident113 Ų11398.7 Ų98.744%0.44352%0.518SS..Hα-helixtrans-62.8-41.2176.6-89.3-74.3000112.3L376 R377 E378 V383 N384 F399L376-Y380 VanDerWaalsContact O-CD2 3.24Å; L376-Y380 WeakPolarHBondContact O-CD2 3.32Å; L376-Y380 PolarHBondContact O-N 2.81Å; R377-Y380 PolarHBondContact O-N 2.72Å; E378-Y380 PolarHBondContact O-N 3.38Å; Y380-V383 PolarHBondContact O-N 2.94Å; Y380-N384 WeakPolarHBondContact O-CB 3.49Å; Y380-N384 PolarHBondContact O-N 3.43Å; Y380-F399 HydrophobicContact CE1-CD1 4.33Å; Y380-F399 HydrophobicContact CE1-CG 4.34Å; Y380-F399 AromaticContact CZ-CD1 3.88Å; Y380-F399 WeakPolarHBondContact OH-CD1 3.35Å
381K78.7Confident73.5Confident165 Ų165103 Ų10372%0.71753%0.526SS*.Hα-helixtrans-63-42.9176.7-170.5179.1179.5-1760111.3R377 E378 L379 N384 S385R377-K381 WeakPolarHBondContact O-CB 3.12Å; R377-K381 PolarHBondContact O-N 3.08Å; E378-K381 PolarHBondContact O-N 2.81Å; L379-K381 PolarHBondContact O-N 3.01Å; K381-N384 PolarHBondContact O-N 2.91Å; K381-S385 PolarHBondContact O-N 2.69Å; K381-S385 PolarHBondContact O-OG 3.12Å
382Q78.1Confident74Confident120 Ų12095.9 Ų95.956%0.56150%0.499SS*.Hα-helixtrans-66.7-37.9179.8-167.4174.47.300112.5E378 L379 S385 M386E378-Q382 WeakPolarHBondContact O-CB 3.45Å; E378-Q382 PolarHBondContact O-N 2.71Å; L379-Q382 PolarHBondContact O-N 3.49Å; Q382-S385 WeakPolarHBondContact CA-OG 3.35Å; Q382-S385 PolarHBondContact O-OG 3.22Å; Q382-M386 WeakPolarHBondContact O-CG 3.5Å
383V78.2Confident74.1Confident8 Ų897.7 Ų97.75%0.04850%0.5CS..Hα-helixtrans-69.2-37.9175.31750000111.7L379 Y380 M386 L395L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.5Å; L379-V383 PolarHBondContact O-N 2.71Å; Y380-V383 PolarHBondContact O-N 2.94Å; V383-M386 HydrophobicContact CG2-CE 4.25Å; V383-M386 WeakPolarHBondContact O-CB 3.39Å; V383-M386 PolarHBondContact O-N 3.26Å; V383-L395 HydrophobicContact CG1-CB 4.39Å; V383-L395 HydrophobicContact CG1-CD2 4.22Å; V383-L395 HydrophobicContact CG2-CD2 3.51Å
384N72.8Confident74.2Confident105 Ų105100.3 Ų100.356%0.56151%0.51SS*.Hα-helixtrans-74.2-28.8178.6-77.9-19.2000113.4Y380 K381 M386 K392Y380-N384 WeakPolarHBondContact O-CB 3.49Å; Y380-N384 PolarHBondContact O-N 3.43Å; K381-N384 PolarHBondContact O-N 2.91Å; N384-M386 PolarHBondContact O-N 3.08Å; N384-K392 PolarHBondContact O-NZ 3.4Å
385S76.5Confident74.2Confident93 Ų93100.3 Ų100.365%0.6550%0.504SS*.THydrogen-bonded Turntrans-76-4173.160.40000114.2K381 Q382K381-S385 PolarHBondContact O-N 2.69Å; K381-S385 PolarHBondContact O-OG 3.12Å; Q382-S385 WeakPolarHBondContact CA-OG 3.35Å; Q382-S385 PolarHBondContact O-OG 3.22Å
386M76.2Confident74.5Confident72 Ų72100.3 Ų100.336%0.35550%0.5SS..SBendtrans-75.6140.8174.6-64.1-178.8-159.700111.3Q382 V383 N384 K392Q382-M386 WeakPolarHBondContact O-CG 3.5Å; V383-M386 HydrophobicContact CG2-CE 4.25Å; V383-M386 WeakPolarHBondContact O-CB 3.39Å; V383-M386 PolarHBondContact O-N 3.26Å; N384-M386 PolarHBondContact O-N 3.08Å; M386-K392 HydrophobicContact CB-CD 4.37Å; M386-K392 WeakPolarHBondContact O-CD 3.35Å; M386-K392 WeakPolarHBondContact O-CE 3.16Å; M386-K392 PolarHBondContact O-NZ 3.01Å
387P73.4Confident74.4Confident109 Ų109103.9 Ų103.971%0.70851%0.507SS*.  trans-62.5149.8171.723.1-30.2000111.5S389P387-S389 PolarHBondContact O-N 3.4Å
388E65.1Low73.9Confident129 Ų129105.6 Ų105.660%0.60351%0.513SS*.SBendtrans-58.6107.5-177.7-78.8-57.412600111.2K392E388-K392 VanDerWaalsContact OE1-CD 3.31Å; E388-K392 WeakPolarHBondContact OE1-CD 3.12Å; E388-K392 VanDerWaalsContact OE1-CE 3.24Å; E388-K392 WeakPolarHBondContact OE1-CE 3.27Å; E388-K392 IonicContact OE1-NZ 3.43Å; E388-K392 PolarHBondContact OE1-NZ 3.29Å
389S73.7Confident73.1Confident50 Ų50102.8 Ų102.835%0.3550%0.499SS..  trans-141.9160.8-179.171.80000111.1P387 K391 K392 K393P387-S389 PolarHBondContact O-N 3.4Å; S389-K391 PolarHBondContact O-N 2.85Å; S389-K391 VanDerWaalsContact O-N 3.08Å; S389-K392 WeakPolarHBondContact O-CB 3.24Å; S389-K392 PolarHBondContact O-N 3.34Å; S389-K392 PolarHBondContact OG-N 2.95Å; S389-K393 PolarHBondContact O-N 3.42Å; S389-K393 VanDerWaalsContact O-N 3.16Å
390A68.3Low72.2Confident82 Ų82106 Ų10668%0.67851%0.511SS*.Hα-helixtrans-57.5-24.9176.200000112.9K394A390-K394 PolarHBondContact O-N 3.06Å
391K69.9Low71.4Confident169 Ų169109.3 Ų109.374%0.73553%0.528SS*.Hα-helixtrans-71.3-44.9174.6-68.4-177.3178.9179.60111.8S389 K393 K394 L395S389-K391 PolarHBondContact O-N 2.85Å; S389-K391 VanDerWaalsContact O-N 3.08Å; K391-K393 PolarHBondContact O-N 3.45Å; K391-K394 PolarHBondContact O-N 3.01Å; K391-L395 PolarHBondContact O-N 3.42Å
392K79.1Confident69.5Low21 Ų21109.1 Ų109.19%0.09153%0.53CS..Hα-helixtrans-58.8-47.1174.9-172.9-179.6-177.4-178.30111.4N384 M386 E388 S389 K394 L395 I396N384-K392 PolarHBondContact O-NZ 3.4Å; M386-K392 HydrophobicContact CB-CD 4.37Å; M386-K392 WeakPolarHBondContact O-CD 3.35Å; M386-K392 WeakPolarHBondContact O-CE 3.16Å; M386-K392 PolarHBondContact O-NZ 3.01Å; E388-K392 VanDerWaalsContact OE1-CD 3.31Å; E388-K392 WeakPolarHBondContact OE1-CD 3.12Å; E388-K392 VanDerWaalsContact OE1-CE 3.24Å; E388-K392 WeakPolarHBondContact OE1-CE 3.27Å; E388-K392 IonicContact OE1-NZ 3.43Å; E388-K392 PolarHBondContact OE1-NZ 3.29Å; S389-K392 WeakPolarHBondContact O-CB 3.24Å; S389-K392 PolarHBondContact O-N 3.34Å; S389-K392 PolarHBondContact OG-N 2.95Å; K392-K394 VanDerWaalsContact C-N 3.31Å; K392-K394 PolarHBondContact O-N 3.27Å; K392-L395 PolarHBondContact O-N 3.3Å; K392-I396 HydrophobicContact CG-CD1 3.92Å; K392-I396 WeakPolarHBondContact O-CG1 3.34Å; K392-I396 PolarHBondContact O-N 3.39Å
393K75.2Confident67.6Low119 Ų119109.1 Ų109.152%0.51754%0.54SS..Hα-helixtrans-62.7-32.9177.5-71-177.8178.2177.30113.6S389 K391 R397S389-K393 PolarHBondContact O-N 3.42Å; S389-K393 VanDerWaalsContact O-N 3.16Å; K391-K393 PolarHBondContact O-N 3.45Å; K393-R397 WeakPolarHBondContact O-CG 3.36Å; K393-R397 PolarHBondContact O-N 3.38Å
394K74.4Confident65.4Low155 Ų155116.2 Ų116.267%0.67458%0.578SS**Hα-helixtrans-72.4-37174.5-90.1-175.8176.2-179.90112.7A390 K391 K392 R398A390-K394 PolarHBondContact O-N 3.06Å; K391-K394 PolarHBondContact O-N 3.01Å; K392-K394 VanDerWaalsContact C-N 3.31Å; K392-K394 PolarHBondContact O-N 3.27Å; K394-R398 PolarHBondContact O-N 2.8Å
395L73.4Confident63.4Low68 Ų68116.1 Ų116.136%0.35659%0.585SS.*Hα-helixtrans-66.6-47.3176.4-111.385000111.2V383 K391 K392 R397 R398 F399V383-L395 HydrophobicContact CG1-CB 4.39Å; V383-L395 HydrophobicContact CG1-CD2 4.22Å; V383-L395 HydrophobicContact CG2-CD2 3.51Å; K391-L395 PolarHBondContact O-N 3.42Å; K392-L395 PolarHBondContact O-N 3.3Å; L395-R397 VanDerWaalsContact C-N 3.31Å; L395-R397 PolarHBondContact O-N 2.9Å; L395-R398 WeakPolarHBondContact O-CB 3.32Å; L395-R398 PolarHBondContact O-N 3.23Å; L395-F399 HydrophobicContact CD2-CE2 4.36Å; L395-F399 VanDerWaalsContact O-CD2 3.22Å; L395-F399 WeakPolarHBondContact O-CD2 3.2Å; L395-F399 PolarHBondContact O-N 2.9Å
396I74.5Confident61.1Low55 Ų55119.3 Ų119.328%0.28260%0.595SS.*Hα-helixtrans-57.1-45.1179.2-66.8167.6000111K392 R398 F399 E400K392-I396 HydrophobicContact CG-CD1 3.92Å; K392-I396 WeakPolarHBondContact O-CG1 3.34Å; K392-I396 PolarHBondContact O-N 3.39Å; I396-R398 PolarHBondContact O-N 2.85Å; I396-F399 PolarHBondContact O-N 3.49Å; I396-F399 VanDerWaalsContact O-N 3.09Å; I396-E400 PolarHBondContact O-N 3.25Å
397R69.7Low58.9Low171 Ų171121 Ų12165%0.64562%0.615SS**Hα-helixtrans-64.7-20.3176.6-76179.8-178.5167.20.5115K393 L395K393-R397 WeakPolarHBondContact O-CG 3.36Å; K393-R397 PolarHBondContact O-N 3.38Å; L395-R397 VanDerWaalsContact C-N 3.31Å; L395-R397 PolarHBondContact O-N 2.9Å
398R65.3Low56.8Low201 Ų201121 Ų12176%0.75862%0.617SS**Hα-helixtrans-81.1-33.9173.9-79.1-175.3173-173.5-3.1111.2K394 L395 I396 K401K394-R398 PolarHBondContact O-N 2.8Å; L395-R398 WeakPolarHBondContact O-CB 3.32Å; L395-R398 PolarHBondContact O-N 3.23Å; I396-R398 PolarHBondContact O-N 2.85Å; R398-K401 PolarHBondContact O-N 3.28Å
399F63.1Low55Low74 Ų74119.2 Ų119.233%0.32562%0.624SS.*Hα-helixtrans-69.3-39.1173-73.7-71.5000112.1L379 Y380 L395 I396 K401L379-F399 HydrophobicContact CD2-CE1 4.22Å; L379-F399 HydrophobicContact CD2-CZ 3.72Å; Y380-F399 HydrophobicContact CE1-CD1 4.33Å; Y380-F399 HydrophobicContact CE1-CG 4.34Å; Y380-F399 AromaticContact CZ-CD1 3.88Å; Y380-F399 WeakPolarHBondContact OH-CD1 3.35Å; L395-F399 HydrophobicContact CD2-CE2 4.36Å; L395-F399 VanDerWaalsContact O-CD2 3.22Å; L395-F399 WeakPolarHBondContact O-CD2 3.2Å; L395-F399 PolarHBondContact O-N 2.9Å; I396-F399 PolarHBondContact O-N 3.49Å; I396-F399 VanDerWaalsContact O-N 3.09Å; F399-K401 PolarHBondContact O-N 2.86Å
400E58.4Low52.8Low146 Ų146125.3 Ų125.368%0.68265%0.647SS**THydrogen-bonded Turntrans-71.3-9.6177.6-71.5174.9162.400114.4I396I396-E400 PolarHBondContact O-N 3.25Å
401K55.6Low50.7Low184 Ų184126.7 Ų126.780%0.865%0.648SS**THydrogen-bonded Turntrans-94.40.6-176.6-100.6-172.9175.4-168.50114.7R398 F399R398-K401 PolarHBondContact O-N 3.28Å; F399-K401 PolarHBondContact O-N 2.86Å
402Q38Very low48.7Very low160 Ų160130.2 Ų130.275%0.74866%0.656SS**SBendtrans-85.7127.4167.8-69.9-136.2-21.400109.7
403P38.7Very low46.2Very low120 Ų120135.3 Ų135.378%0.77969%0.689SS**  trans-89.2116.2-179.433-26.6000109.6
404D31.7Very low44.5Very low158 Ų158134.5 Ų134.585%0.84570%0.696SS**  trans-115.1123.3157-82.2-33.6000109.9
405S31.7Very low42.3Very low102 Ų102136.1 Ų136.171%0.71370%0.703SS**  trans-66.5115.6165.449.30000110.7
406N28.7Very low40.1Very low160 Ų160139.5 Ų139.586%0.85672%0.72SS**  164145.8119.1-84.9-20.1000112.2
407S29.5Very low38Very low109 Ų109145.9 Ų145.976%0.76275%0.746SS**  trans-77.1152.3-161.754.90000117.2
408S28Very low35.9Very low109 Ų109149.3 Ų149.376%0.76276%0.759SS**  178.8120.5113.750.80000109.1
409A27.7Very low34.4Very low91 Ų91148.1 Ų148.175%0.75276%0.762SS**  67.2116106.200000111.5
410E27.3Very low32.6Very low177 Ų177156.2 Ų156.283%0.82779%0.79SS**  -177.5148.459.1-117.4174.9-175.700111.6
411T25.9Very low31.2Very low112 Ų112159.2 Ų159.269%0.68780%0.795SS**  trans63.6104.7138.9-35.80000121.3
412R27.6Very low30Very low242 Ų242155 Ų15591%0.91379%0.789SS**  -179.5115.4111-97.6176.9167.8165.5-3.2112.9
413T26.4Very low29.6Very low129 Ų129158.9 Ų158.979%0.79180%0.797SS**  trans-78.7-176.4164.244.10000112.1
414P39.7Very low29.1Very low102 Ų102158.1 Ų158.166%0.66279%0.794SS**  cis-129.1174.3-34.227.7-8.3000111.1
415F27Very low29.1Very low188 Ų188155.2 Ų155.283%0.82579%0.793SS**  trans-169.2111137.3-110.9-84.8000112.2
416I27.7Very low28.8Very low139 Ų139154 Ų15471%0.71380%0.796SS**  trans62.4119.6142.1-61.6-176.8000121.8
417K30.1Very low28.9Very low189 Ų189149.8 Ų149.882%0.82279%0.791SS**  trans-50.9150.2162.7-62.9171.2175175.60113.6
418R26.5Very low29Very low244 Ų244153 Ų15392%0.92180%0.797SS**  -165.6118.6119.7-102.2162.6-164.1-169.15.8112
419H33.4Very low29.3Very low176 Ų176153.8 Ų153.882%0.81580%0.797SS**  trans-69.1141.2166.2-131.6-77.7000109.5
420W26.1Very low29.6Very low243 Ų243156.9 Ų156.992%0.9279%0.794SS**  trans-140.4149152.7-111.388000111.7
421R26.9Very low29.7Very low209 Ų209157.9 Ų157.979%0.78979%0.79SS**  trans-97.3139.7-155.6-107.8-178.8-161.9-136.52.1112.7
422S30.6Very low29.9Very low95 Ų95162.7 Ų162.766%0.66480%0.801SS**  61.8151.2128.769.10000124.2
423R30.4Very low30.1Very low242 Ų242155.1 Ų155.191%0.91379%0.791SS**  trans87.5151.7157.5-63-175.1167-162.7-5.2115.9
424S28Very low30.2Very low104 Ų104154.4 Ų154.473%0.72779%0.79SS**  cis165.9141.7-21.5166.30000104.6
425A31.2Very low29.7Very low98 Ų98156.6 Ų156.681%0.8180%0.802SS**  trans61.8126.915500000120.9
426G26.8Very low29.9Very low77 Ų77156.2 Ų156.279%0.79480%0.803SS**  106.8105.6116.900000118.4
427G29.3Very low30Very low71 Ų71159.6 Ų159.673%0.73281%0.813SS**  trans69.4137.4137.400000119.5
428I32.2Very low30.2Very low176 Ų176159 Ų15990%0.90381%0.813SS**  171.3128.9116.4-85.9158000110.3
429V35Very low30.3Very low126 Ų126155.3 Ų155.376%0.76481%0.811SS**  trans-80.4146166.2169.90000108.9
430K33.3Very low30.2Very low155 Ų155150.5 Ų150.567%0.67481%0.809SS**  146.1136.2118-144.8164178.2178.50114.8
431R30.3Very low30.5Very low199 Ų199145.1 Ų145.175%0.75180%0.803SS**  trans75.2122.6144.6-102.2178.1-68.4-176.7-1.4119.8
432K30Very low30.8Very low213 Ų213143.2 Ų143.293%0.92681%0.808SS**  -152133.6112.8-108.6175.7-179.2-178.30110.4
433A30.6Very low31Very low83 Ų83147.2 Ų147.269%0.68682%0.816SS**  trans-114.5156.8172.100000108.7
434S28.2Very low31.1Very low113 Ų113140.8 Ų140.879%0.7981%0.809SS**  trans79.1112.9151.5-48.80000119.4
435T30Very low31.6Very low148 Ų148143.5 Ų143.591%0.90881%0.814SS**  -143.2126.112914.90000109.2
436E31Very low32.4Very low181 Ų181144.2 Ų144.285%0.84681%0.81SS**  trans-64155.7176-67155132.300112.7
437K30.6Very low33.5Very low210 Ų210145.7 Ų145.791%0.91381%0.806SS**  -163.1117.7122.2-106176.3-176.2-174.90110.6
438E32.9Very low34.1Very low175 Ų175154 Ų15482%0.81882%0.815SS**  trans-67.7144.8165.8-69.6175.1128.800111.7
439N29.6Very low34.9Very low167 Ų167154.9 Ų154.989%0.89384%0.837SS**  168.3127.2120.7-91.6-19.8000109.6
440G30.6Very low34.9Very low75 Ų75156.3 Ų156.377%0.77384%0.841SS**  trans16763.7176.500000114.9
441T32.3Very low35Very low130 Ų130156.4 Ų156.480%0.79885%0.849SS**  trans-19125.7156.5-440000115.5
442L34.2Very low35.3Very low170 Ų170154 Ų15489%0.8986%0.855SS**  trans-162.3133.9138.8-108.9141.3000112.5
443Q34Very low35.6Very low178 Ų178150.5 Ų150.583%0.83285%0.851SS**  trans-64.5140.6-166.3-73.1152.5-33.700114.5
444S33Very low35.9Very low108 Ų108154.8 Ų154.876%0.75586%0.861SS**  trans-91.1137.5155.156.70000110.4
445L38.4Very low36.4Very low161 Ų161157.5 Ų157.584%0.84387%0.866SS**  trans175.7156.2142.4-93.8165.1000107.9
446P48.7Very low36.9Very low112 Ų112158.2 Ų158.273%0.72786%0.863SS**  cis-130.6178.98.337.8-19.8000114.8
447P49.6Very low37.3Very low108 Ų108156.5 Ų156.570%0.70186%0.864SS**  trans-125147.3134.135.8-26.6000112.8
448R41.2Very low37.9Very low245 Ų245152 Ų15293%0.92586%0.86SS**  trans68.5112.6156.7-67.8-177.9179.7-171.4-0.5119.4
449S50Low38.3Very low195 Ų195149.9 Ų149.9100%1.36486%0.864SS**  -146.40112.653.60000108.7

Retrieved 449 of 449 residues in 91.5 ms (Link to these results)